From d6e2e9623956d2a2e702d34f6779b41e52d01f1d Mon Sep 17 00:00:00 2001
From: joaander <2197568+joaander@users.noreply.github.com>
Date: Mon, 1 Jul 2024 12:04:01 +0000
Subject: [PATCH 1/4] Update conda lockfiles

---
 .../workflows/env-files/py310-conda-lock.yml  | 2483 ++++++------
 .../workflows/env-files/py311-conda-lock.yml  | 3379 +++++------------
 .../workflows/env-files/py312-conda-lock.yml  | 2156 +++++------
 .../workflows/env-files/py39-conda-lock.yml   | 3081 +++++----------
 4 files changed, 4143 insertions(+), 6956 deletions(-)

diff --git a/.github/workflows/env-files/py310-conda-lock.yml b/.github/workflows/env-files/py310-conda-lock.yml
index 7a081632a..c6e375dc5 100644
--- a/.github/workflows/env-files/py310-conda-lock.yml
+++ b/.github/workflows/env-files/py310-conda-lock.yml
@@ -53,19 +53,19 @@ package:
   category: main
   optional: false
 - name: alsa-lib
-  version: 1.2.11
+  version: 1.2.12
   manager: conda
   platform: linux-64
   dependencies:
     libgcc-ng: '>=12'
-  url: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.11-hd590300_1.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.12-h4ab18f5_0.conda
   hash:
-    md5: 0bb492cca54017ea314b809b1ee3a176
-    sha256: 0e2b75b9834a6e520b13db516f7cf5c9cea8f0bbc9157c978444173dacb98fec
+    md5: 7ed427f0871fd41cb1d9c17727c17589
+    sha256: 64b95dd06d7ca6b54cea03b02da8f1657b9899ca376d0ca7b47823064f55fb16
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: linux-64
   dependencies:
@@ -74,58 +74,58 @@ package:
     numpy: ''
     python: '>=3.5'
     scipy: ''
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
-    md5: 9f83f7881be9083630c532b5b3208a7d
-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: osx-64
   dependencies:
-    numpy: ''
-    scipy: ''
-    matplotlib-base: ''
     flask: ''
+    matplotlib-base: ''
+    numpy: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
-    md5: 9f83f7881be9083630c532b5b3208a7d
-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: osx-arm64
   dependencies:
-    numpy: ''
-    scipy: ''
-    matplotlib-base: ''
     flask: ''
+    matplotlib-base: ''
+    numpy: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
-    md5: 9f83f7881be9083630c532b5b3208a7d
-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: win-64
   dependencies:
-    numpy: ''
-    scipy: ''
-    matplotlib-base: ''
     flask: ''
+    matplotlib-base: ''
+    numpy: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
-    md5: 9f83f7881be9083630c532b5b3208a7d
-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: attr
@@ -249,72 +249,72 @@ package:
   category: main
   optional: false
 - name: blosc
-  version: 1.21.5
+  version: 1.21.6
   manager: conda
   platform: linux-64
   dependencies:
     libgcc-ng: '>=12'
     libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
     lz4-c: '>=1.9.3,<1.10.0a0'
     snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.5-hc2324a3_1.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.6-hef167b5_0.conda
   hash:
-    md5: 11d76bee958b1989bd1ac6ee7372ea6d
-    sha256: fde5e8ad75d2a5f154e29da7763a5dd9ee5b5b5c3fc22a1f5170296c8f6f3f62
+    md5: 54fe76ab3d0189acaef95156874db7f9
+    sha256: 6cc260f9c6d32c5e728a2099a52fdd7ee69a782fff7b400d0606fcd32e0f5fd1
   category: main
   optional: false
 - name: blosc
-  version: 1.21.5
+  version: 1.21.6
   manager: conda
   platform: osx-64
   dependencies:
-    __osx: '>=10.9'
+    __osx: '>=10.13'
     libcxx: '>=16'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
     lz4-c: '>=1.9.3,<1.10.0a0'
     snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-64/blosc-1.21.5-hafa3907_1.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-64/blosc-1.21.6-h7d75f6d_0.conda
   hash:
-    md5: 937b9f86de960cd40c8ef5c7421b7028
-    sha256: a2e867d61ce398187d59f59e034e8651c825cb33224d2c6f315876b6df5e2161
+    md5: 3e5669e51737d04f4806dd3e8c424663
+    sha256: 65e5f5dd3d68ed0d9d35e79d64f8141283cad2b55dcd9a04480ceea0e436aca8
   category: main
   optional: false
 - name: blosc
-  version: 1.21.5
+  version: 1.21.6
   manager: conda
   platform: osx-arm64
   dependencies:
     __osx: '>=11.0'
     libcxx: '>=16'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
     lz4-c: '>=1.9.3,<1.10.0a0'
     snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.5-h9c252e8_1.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.6-h5499902_0.conda
   hash:
-    md5: e1be80625e4f6bdc2154ee099c641683
-    sha256: 3b38493b95cc3d9f6369bbcbab55a2cdbbe6bbe32c74b923f8d638e874033139
+    md5: e94ca7aec8544f700d45b24aff2dd4d7
+    sha256: 5a1e635a371449a750b776cab64ad83f5218b58b3f137ebd33ad3ec17f1ce92e
   category: main
   optional: false
 - name: blosc
-  version: 1.21.5
+  version: 1.21.6
   manager: conda
   platform: win-64
   dependencies:
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
     lz4-c: '>=1.9.3,<1.10.0a0'
     snappy: '>=1.2.0,<1.3.0a0'
     ucrt: '>=10.0.20348.0'
-    vc: '>=14.3,<15'
-    vc14_runtime: '>=14.38.33130'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/win-64/blosc-1.21.5-hbd69f2e_1.conda
+    vc: '>=14.2,<15'
+    vc14_runtime: '>=14.29.30139'
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/win-64/blosc-1.21.6-h85f69ea_0.conda
   hash:
-    md5: 06c7d9a1cdecef43921be8b577a61ee7
-    sha256: a74c8a91bee3947f9865abd057ce33a1ebb728f04041bfd47bc478fdc133ca22
+    md5: 2390269374fded230fcbca8332a4adc0
+    sha256: 1289853b41df5355f45664f1cb015c868df1f570cf743e9e4a5bda8efe8c42fa
   category: main
   optional: false
 - name: brotli
@@ -516,71 +516,47 @@ package:
   category: main
   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: linux-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.2.2-hbcca054_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.6.2-hbcca054_0.conda
   hash:
-    md5: 2f4327a1cbe7f022401b236e915a5fef
-    sha256: 91d81bfecdbb142c15066df70cc952590ae8991670198f92c66b62019b251aeb
+    md5: 847c3c2905cc467cea52c24f9cfa8080
+    sha256: 979af0932b2a5a26112044891a2d79e402e5ae8166f50fa48b8ebae47c0a2d65
   category: main
   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: osx-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/osx-64/ca-certificates-2024.2.2-h8857fd0_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-64/ca-certificates-2024.6.2-h8857fd0_0.conda
   hash:
-    md5: f2eacee8c33c43692f1ccfd33d0f50b1
-    sha256: 54a794aedbb4796afeabdf54287b06b1d27f7b13b3814520925f4c2c80f58ca9
+    md5: 3c23a8cab15ae51ebc9efdc229fccecf
+    sha256: ba0614477229fcb0f0666356f2c4686caa66f0ed1446e7c9666ce234abe2bacf
   category: main
   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: osx-arm64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/ca-certificates-2024.2.2-hf0a4a13_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/ca-certificates-2024.6.2-hf0a4a13_0.conda
   hash:
-    md5: fb416a1795f18dcc5a038bc2dc54edf9
-    sha256: 49bc3439816ac72d0c0e0f144b8cc870fdcc4adec2e861407ec818d8116b2204
+    md5: b534f104f102479402f88f73adf750f5
+    sha256: f5fd189d48965df396d060eb48628cbd9f083f1a1ea79c5236f60d655c7b9633
   category: main
   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: win-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/win-64/ca-certificates-2024.2.2-h56e8100_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/ca-certificates-2024.6.2-h56e8100_0.conda
   hash:
-    md5: 63da060240ab8087b60d1357051ea7d6
-    sha256: 4d587088ecccd393fec3420b64f1af4ee1a0e6897a45cfd5ef38055322cea5d0
-  category: main
-  optional: false
-- name: cached-property
-  version: 1.5.2
-  manager: conda
-  platform: linux-64
-  dependencies:
-    cached_property: '>=1.5.2,<1.5.3.0a0'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
-  hash:
-    md5: 9b347a7ec10940d3f7941ff6c460b551
-    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
-  category: main
-  optional: false
-- name: cached-property
-  version: 1.5.2
-  manager: conda
-  platform: osx-64
-  dependencies:
-    cached_property: '>=1.5.2,<1.5.3.0a0'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
-  hash:
-    md5: 9b347a7ec10940d3f7941ff6c460b551
-    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
+    md5: 12a3a2b3a00a21bbb390d4de5ad8dd0f
+    sha256: d872d11558ebeaeb87bcf9086e97c075a1a2dfffed2d0e97570cf197ab29e3d8
   category: main
   optional: false
 - name: cached-property
@@ -595,42 +571,6 @@ package:
     sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
   category: main
   optional: false
-- name: cached-property
-  version: 1.5.2
-  manager: conda
-  platform: win-64
-  dependencies:
-    cached_property: '>=1.5.2,<1.5.3.0a0'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
-  hash:
-    md5: 9b347a7ec10940d3f7941ff6c460b551
-    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
-  category: main
-  optional: false
-- name: cached_property
-  version: 1.5.2
-  manager: conda
-  platform: linux-64
-  dependencies:
-    python: '>=3.6'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
-  hash:
-    md5: 576d629e47797577ab0f1b351297ef4a
-    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
-  category: main
-  optional: false
-- name: cached_property
-  version: 1.5.2
-  manager: conda
-  platform: osx-64
-  dependencies:
-    python: '>=3.6'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
-  hash:
-    md5: 576d629e47797577ab0f1b351297ef4a
-    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
-  category: main
-  optional: false
 - name: cached_property
   version: 1.5.2
   manager: conda
@@ -643,18 +583,6 @@ package:
     sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
   category: main
   optional: false
-- name: cached_property
-  version: 1.5.2
-  manager: conda
-  platform: win-64
-  dependencies:
-    python: '>=3.6'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
-  hash:
-    md5: 576d629e47797577ab0f1b351297ef4a
-    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
-  category: main
-  optional: false
 - name: cairo
   version: 1.18.0
   manager: conda
@@ -665,74 +593,74 @@ package:
     freetype: '>=2.12.1,<3.0a0'
     icu: '>=73.2,<74.0a0'
     libgcc-ng: '>=12'
-    libglib: '>=2.78.0,<3.0a0'
-    libpng: '>=1.6.39,<1.7.0a0'
+    libglib: '>=2.80.2,<3.0a0'
+    libpng: '>=1.6.43,<1.7.0a0'
     libstdcxx-ng: '>=12'
-    libxcb: '>=1.15,<1.16.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
-    pixman: '>=0.42.2,<1.0a0'
+    libxcb: '>=1.16,<1.17.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
+    pixman: '>=0.43.2,<1.0a0'
     xorg-libice: '>=1.1.1,<2.0a0'
     xorg-libsm: '>=1.2.4,<2.0a0'
-    xorg-libx11: '>=1.8.6,<2.0a0'
+    xorg-libx11: '>=1.8.9,<2.0a0'
     xorg-libxext: '>=1.3.4,<2.0a0'
     xorg-libxrender: '>=0.9.11,<0.10.0a0'
     zlib: ''
-  url: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.0-h3faef2a_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.0-hbb29018_2.conda
   hash:
-    md5: f907bb958910dc404647326ca80c263e
-    sha256: 142e2639a5bc0e99c44d76f4cc8dce9c6a2d87330c4beeabb128832cd871a86e
+    md5: b6d90276c5aee9b4407dd94eb0cd40a8
+    sha256: 51cfaf4669ad83499b3da215b915c503d36faf6edf6db4681a70b5710842a86c
   category: main
   optional: false
 - name: certifi
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: linux-64
   dependencies:
     python: '>=3.7'
-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
   hash:
-    md5: 0876280e409658fc6f9e75d035960333
-    sha256: f1faca020f988696e6b6ee47c82524c7806380b37cfdd1def32f92c326caca54
+    md5: 8821ec1c8fcdc9e1d291d7b9f6e9968a
+    sha256: f101b8f9155b79d623601214eb719747ffe1c2ad3ff6c4e600f59163bd5f4803
   category: main
   optional: false
 - name: certifi
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: osx-64
   dependencies:
     python: '>=3.7'
-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
   hash:
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/h5py-3.11.0-nompi_py310h92897fd_101.conda
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+    openssl: '>=3.3.1,<4.0a0'
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-    openssl: '>=3.3.0,<4.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/hdf5-1.14.3-nompi_hec07895_102.conda
+    openssl: '>=3.3.1,<4.0a0'
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-  url: https://conda.anaconda.org/conda-forge/win-64/hdf5-1.14.3-nompi_h2b43c12_102.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/hdf5-1.14.3-nompi_h2b43c12_105.conda
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+    python: '>=3.7'
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-  url: https://conda.anaconda.org/conda-forge/linux-64/krb5-1.21.2-h659d440_0.conda
+    openssl: '>=3.3.1,<4.0a0'
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-  url: https://conda.anaconda.org/conda-forge/win-64/krb5-1.21.2-heb0366b_0.conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-hf3520f5_1.conda
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+  url: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.3.1-hfb2fe0b_1.conda
   hash:
-    md5: 88cf27df3eff5813734b538461f4c8cf
-    sha256: c09c9cb6de86d87b9267a6331c74cc8fb05bae5ee7749070a5e8883c3eff5424
+    md5: f27e021db7862b6ddbc1d3578f10d883
+    sha256: 87360c2dc662916aac37cf01e53324b4f4f78db6f399220818076752b093ede5
   category: main
   optional: false
 - name: zlib
-  version: 1.2.13
+  version: 1.3.1
   manager: conda
   platform: win-64
   dependencies:
-    libzlib: 1.2.13
+    libzlib: 1.3.1
     ucrt: '>=10.0.20348.0'
     vc: '>=14.2,<15'
     vc14_runtime: '>=14.29.30139'
-  url: https://conda.anaconda.org/conda-forge/win-64/zlib-1.2.13-h2466b09_6.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/zlib-1.3.1-h2466b09_1.conda
   hash:
-    md5: 86591a585a18e35d23279b6b384eb4b9
-    sha256: 7aebf311fdb9227deddaedc33ace85bc960f5116ffb31f3ff07db380dfca0b41
+    md5: f8e0a35bf6df768ad87ed7bbbc36ab04
+    sha256: 76409556e6c7cb91991cd94d7fc853c9272c2872bd7e3573ff35eb33d6fca5be
   category: main
   optional: false
 - name: zstd
diff --git a/.github/workflows/env-files/py311-conda-lock.yml b/.github/workflows/env-files/py311-conda-lock.yml
index 182b143e3..3589b94df 100644
--- a/.github/workflows/env-files/py311-conda-lock.yml
+++ b/.github/workflows/env-files/py311-conda-lock.yml
@@ -53,79 +53,47 @@ package:
   category: main
   optional: false
 - name: alsa-lib
-  version: 1.2.11
+  version: 1.2.12
   manager: conda
   platform: linux-64
   dependencies:
     libgcc-ng: '>=12'
-  url: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.11-hd590300_1.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.12-h4ab18f5_0.conda
   hash:
-    md5: 0bb492cca54017ea314b809b1ee3a176
-    sha256: 0e2b75b9834a6e520b13db516f7cf5c9cea8f0bbc9157c978444173dacb98fec
+    md5: 7ed427f0871fd41cb1d9c17727c17589
+    sha256: 64b95dd06d7ca6b54cea03b02da8f1657b9899ca376d0ca7b47823064f55fb16
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
-  platform: linux-64
+  platform: osx-arm64
   dependencies:
     flask: ''
     matplotlib-base: ''
     numpy: ''
     python: '>=3.5'
     scipy: ''
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
-    md5: 9f83f7881be9083630c532b5b3208a7d
-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
-  platform: osx-64
+  platform: win-64
   dependencies:
-    numpy: ''
-    scipy: ''
-    matplotlib-base: ''
     flask: ''
-    python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
-  hash:
-    md5: 9f83f7881be9083630c532b5b3208a7d
-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
-  category: main
-  optional: false
-- name: ase
-  version: 3.22.1
-  manager: conda
-  platform: osx-arm64
-  dependencies:
-    numpy: ''
-    scipy: ''
     matplotlib-base: ''
-    flask: ''
-    python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
-  hash:
-    md5: 9f83f7881be9083630c532b5b3208a7d
-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
-  category: main
-  optional: false
-- name: ase
-  version: 3.22.1
-  manager: conda
-  platform: win-64
-  dependencies:
     numpy: ''
-    scipy: ''
-    matplotlib-base: ''
-    flask: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
-    md5: 9f83f7881be9083630c532b5b3208a7d
-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: attr
@@ -140,35 +108,6 @@ package:
     sha256: 82c13b1772c21fc4a17441734de471d3aabf82b61db9b11f4a1bd04a9c4ac324
   category: main
   optional: false
-- name: biopython
-  version: '1.83'
-  manager: conda
-  platform: linux-64
-  dependencies:
-    libgcc-ng: '>=12'
-    numpy: ''
-    python: '>=3.11,<3.12.0a0'
-    python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/linux-64/biopython-1.83-py311h459d7ec_0.conda
-  hash:
-    md5: 6ec8554e179c75be9105c78e3d2a3a5c
-    sha256: 9ea8e0eccbdab64c016f687188056e1458b8f3ce66ddcb3adde970a20fc141e8
-  category: main
-  optional: false
-- name: biopython
-  version: '1.83'
-  manager: conda
-  platform: osx-64
-  dependencies:
-    numpy: ''
-    python: '>=3.11,<3.12.0a0'
-    python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/osx-64/biopython-1.83-py311he705e18_0.conda
-  hash:
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-    sha256: 5200609c791026ea7710880132a305f9a368f80ea84fe6a358f1bae14a8a8c4f
-  category: main
-  optional: false
 - name: biopython
   version: '1.83'
   manager: conda
@@ -200,30 +139,6 @@ package:
     sha256: 9ccdfd7cf2bc41eed3172f1d46593b8f1e07340905eb8c40451b4e050235a9e7
   category: main
   optional: false
-- name: blinker
-  version: 1.8.2
-  manager: conda
-  platform: linux-64
-  dependencies:
-    python: '>=3.8'
-  url: https://conda.anaconda.org/conda-forge/noarch/blinker-1.8.2-pyhd8ed1ab_0.conda
-  hash:
-    md5: cf85c002319c15e9721934104aaa1137
-    sha256: 8ca3cd8f78d0607df28c9f76adb9800348f8f2dc8aa49d188a995a0acdc4477d
-  category: main
-  optional: false
-- name: blinker
-  version: 1.8.2
-  manager: conda
-  platform: osx-64
-  dependencies:
-    python: '>=3.8'
-  url: https://conda.anaconda.org/conda-forge/noarch/blinker-1.8.2-pyhd8ed1ab_0.conda
-  hash:
-    md5: cf85c002319c15e9721934104aaa1137
-    sha256: 8ca3cd8f78d0607df28c9f76adb9800348f8f2dc8aa49d188a995a0acdc4477d
-  category: main
-  optional: false
 - name: blinker
   version: 1.8.2
   manager: conda
@@ -249,72 +164,38 @@ package:
   category: main
   optional: false
 - name: blosc
-  version: 1.21.5
-  manager: conda
-  platform: linux-64
-  dependencies:
-    libgcc-ng: '>=12'
-    libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
-    lz4-c: '>=1.9.3,<1.10.0a0'
-    snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.5-hc2324a3_1.conda
-  hash:
-    md5: 11d76bee958b1989bd1ac6ee7372ea6d
-    sha256: fde5e8ad75d2a5f154e29da7763a5dd9ee5b5b5c3fc22a1f5170296c8f6f3f62
-  category: main
-  optional: false
-- name: blosc
-  version: 1.21.5
-  manager: conda
-  platform: osx-64
-  dependencies:
-    __osx: '>=10.9'
-    libcxx: '>=16'
-    libzlib: '>=1.2.13,<1.3.0a0'
-    lz4-c: '>=1.9.3,<1.10.0a0'
-    snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-64/blosc-1.21.5-hafa3907_1.conda
-  hash:
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-    sha256: a2e867d61ce398187d59f59e034e8651c825cb33224d2c6f315876b6df5e2161
-  category: main
-  optional: false
-- name: blosc
-  version: 1.21.5
+  version: 1.21.6
   manager: conda
   platform: osx-arm64
   dependencies:
     __osx: '>=11.0'
     libcxx: '>=16'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
     lz4-c: '>=1.9.3,<1.10.0a0'
     snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.5-h9c252e8_1.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.6-h5499902_0.conda
   hash:
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-    sha256: 3b38493b95cc3d9f6369bbcbab55a2cdbbe6bbe32c74b923f8d638e874033139
+    md5: e94ca7aec8544f700d45b24aff2dd4d7
+    sha256: 5a1e635a371449a750b776cab64ad83f5218b58b3f137ebd33ad3ec17f1ce92e
   category: main
   optional: false
 - name: blosc
-  version: 1.21.5
+  version: 1.21.6
   manager: conda
   platform: win-64
   dependencies:
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
     lz4-c: '>=1.9.3,<1.10.0a0'
     snappy: '>=1.2.0,<1.3.0a0'
     ucrt: '>=10.0.20348.0'
-    vc: '>=14.3,<15'
-    vc14_runtime: '>=14.38.33130'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/win-64/blosc-1.21.5-hbd69f2e_1.conda
+    vc: '>=14.2,<15'
+    vc14_runtime: '>=14.29.30139'
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/win-64/blosc-1.21.6-h85f69ea_0.conda
   hash:
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-    sha256: a74c8a91bee3947f9865abd057ce33a1ebb728f04041bfd47bc478fdc133ca22
+    md5: 2390269374fded230fcbca8332a4adc0
+    sha256: 1289853b41df5355f45664f1cb015c868df1f570cf743e9e4a5bda8efe8c42fa
   category: main
   optional: false
 - name: brotli
@@ -516,71 +397,47 @@ package:
   category: main
   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: linux-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.2.2-hbcca054_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.6.2-hbcca054_0.conda
   hash:
-    md5: 2f4327a1cbe7f022401b236e915a5fef
-    sha256: 91d81bfecdbb142c15066df70cc952590ae8991670198f92c66b62019b251aeb
+    md5: 847c3c2905cc467cea52c24f9cfa8080
+    sha256: 979af0932b2a5a26112044891a2d79e402e5ae8166f50fa48b8ebae47c0a2d65
   category: main
   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: osx-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/osx-64/ca-certificates-2024.2.2-h8857fd0_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-64/ca-certificates-2024.6.2-h8857fd0_0.conda
   hash:
-    md5: f2eacee8c33c43692f1ccfd33d0f50b1
-    sha256: 54a794aedbb4796afeabdf54287b06b1d27f7b13b3814520925f4c2c80f58ca9
+    md5: 3c23a8cab15ae51ebc9efdc229fccecf
+    sha256: ba0614477229fcb0f0666356f2c4686caa66f0ed1446e7c9666ce234abe2bacf
   category: main
   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: osx-arm64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/ca-certificates-2024.2.2-hf0a4a13_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/ca-certificates-2024.6.2-hf0a4a13_0.conda
   hash:
-    md5: fb416a1795f18dcc5a038bc2dc54edf9
-    sha256: 49bc3439816ac72d0c0e0f144b8cc870fdcc4adec2e861407ec818d8116b2204
+    md5: b534f104f102479402f88f73adf750f5
+    sha256: f5fd189d48965df396d060eb48628cbd9f083f1a1ea79c5236f60d655c7b9633
   category: main
   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: win-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/win-64/ca-certificates-2024.2.2-h56e8100_0.conda
-  hash:
-    md5: 63da060240ab8087b60d1357051ea7d6
-    sha256: 4d587088ecccd393fec3420b64f1af4ee1a0e6897a45cfd5ef38055322cea5d0
-  category: main
-  optional: false
-- name: cached-property
-  version: 1.5.2
-  manager: conda
-  platform: linux-64
-  dependencies:
-    cached_property: '>=1.5.2,<1.5.3.0a0'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
-  hash:
-    md5: 9b347a7ec10940d3f7941ff6c460b551
-    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
-  category: main
-  optional: false
-- name: cached-property
-  version: 1.5.2
-  manager: conda
-  platform: osx-64
-  dependencies:
-    cached_property: '>=1.5.2,<1.5.3.0a0'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
+  url: https://conda.anaconda.org/conda-forge/win-64/ca-certificates-2024.6.2-h56e8100_0.conda
   hash:
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-    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
+    md5: 12a3a2b3a00a21bbb390d4de5ad8dd0f
+    sha256: d872d11558ebeaeb87bcf9086e97c075a1a2dfffed2d0e97570cf197ab29e3d8
   category: main
   optional: false
 - name: cached-property
@@ -607,30 +464,6 @@ package:
     sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
   category: main
   optional: false
-- name: cached_property
-  version: 1.5.2
-  manager: conda
-  platform: linux-64
-  dependencies:
-    python: '>=3.6'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
-  hash:
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-    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
-  category: main
-  optional: false
-- name: cached_property
-  version: 1.5.2
-  manager: conda
-  platform: osx-64
-  dependencies:
-    python: '>=3.6'
-  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
-  hash:
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-    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
-  category: main
-  optional: false
 - name: cached_property
   version: 1.5.2
   manager: conda
@@ -665,104 +498,74 @@ package:
     freetype: '>=2.12.1,<3.0a0'
     icu: '>=73.2,<74.0a0'
     libgcc-ng: '>=12'
-    libglib: '>=2.78.0,<3.0a0'
-    libpng: '>=1.6.39,<1.7.0a0'
+    libglib: '>=2.80.2,<3.0a0'
+    libpng: '>=1.6.43,<1.7.0a0'
     libstdcxx-ng: '>=12'
-    libxcb: '>=1.15,<1.16.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
-    pixman: '>=0.42.2,<1.0a0'
+    libxcb: '>=1.16,<1.17.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
+    pixman: '>=0.43.2,<1.0a0'
     xorg-libice: '>=1.1.1,<2.0a0'
     xorg-libsm: '>=1.2.4,<2.0a0'
-    xorg-libx11: '>=1.8.6,<2.0a0'
+    xorg-libx11: '>=1.8.9,<2.0a0'
     xorg-libxext: '>=1.3.4,<2.0a0'
     xorg-libxrender: '>=0.9.11,<0.10.0a0'
     zlib: ''
-  url: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.0-h3faef2a_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.0-hbb29018_2.conda
   hash:
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-    sha256: 142e2639a5bc0e99c44d76f4cc8dce9c6a2d87330c4beeabb128832cd871a86e
+    md5: b6d90276c5aee9b4407dd94eb0cd40a8
+    sha256: 51cfaf4669ad83499b3da215b915c503d36faf6edf6db4681a70b5710842a86c
   category: main
   optional: false
 - name: certifi
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: linux-64
   dependencies:
     python: '>=3.7'
-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
   hash:
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   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
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   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
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   dependencies:
     python: '>=3.7'
-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
   hash:
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-    python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/linux-64/cftime-1.6.3-py311h18e1886_1.conda
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-  category: main
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-  platform: osx-64
-  dependencies:
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-    numpy: '>=1.19,<3'
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-    python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/osx-64/cftime-1.6.3-py311hce3442d_1.conda
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-- name: cftime
-  version: 1.6.3
+  version: 1.6.4
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@@ -770,14 +573,14 @@ package:
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     python: '>=3.11,<3.12.0a0'
     python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/cftime-1.6.3-py311h5d790af_1.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/cftime-1.6.4-py311h5d790af_0.conda
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   optional: false
 - name: cftime
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+  version: 1.6.4
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@@ -787,36 +590,10 @@ package:
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     vc: '>=14.2,<15'
     vc14_runtime: '>=14.29.30139'
-  url: https://conda.anaconda.org/conda-forge/win-64/cftime-1.6.3-py311h0a17f05_1.conda
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-- name: click
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-  manager: conda
-  platform: linux-64
-  dependencies:
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-    python: '>=3.8'
-  url: https://conda.anaconda.org/conda-forge/noarch/click-8.1.7-unix_pyh707e725_0.conda
-  hash:
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-    sha256: f0016cbab6ac4138a429e28dbcb904a90305b34b3fe41a9b89d697c90401caec
-  category: main
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-- name: click
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-  manager: conda
-  platform: osx-64
-  dependencies:
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-    python: '>=3.8'
-  url: https://conda.anaconda.org/conda-forge/noarch/click-8.1.7-unix_pyh707e725_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/cftime-1.6.4-py311h0a17f05_0.conda
   hash:
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-    sha256: f0016cbab6ac4138a429e28dbcb904a90305b34b3fe41a9b89d697c90401caec
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   category: main
   optional: false
 - name: click
@@ -837,8 +614,8 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    colorama: ''
     __win: ''
+    colorama: ''
     python: '>=3.8'
   url: https://conda.anaconda.org/conda-forge/noarch/click-8.1.7-win_pyh7428d3b_0.conda
   hash:
@@ -847,89 +624,89 @@ package:
   category: main
   optional: false
 - name: cmake
-  version: 3.29.3
+  version: 3.29.6
   manager: conda
   platform: linux-64
   dependencies:
     bzip2: '>=1.0.8,<2.0a0'
-    libcurl: '>=8.7.1,<9.0a0'
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     libgcc-ng: '>=12'
     libstdcxx-ng: '>=12'
     libuv: '>=1.48.0,<2.0a0'
-    libzlib: '>=1.2.13,<2.0.0a0'
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     rhash: '>=1.4.4,<2.0a0'
     xz: '>=5.2.6,<6.0a0'
     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/cmake-3.29.3-h91dbaaa_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/cmake-3.29.6-hcafd917_0.conda
   hash:
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-    sha256: fedf3ae3922cf4e5fe6b7eb24ef788c7b8915830376d23ba53327602dfcc3eec
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   category: main
   optional: false
 - name: cmake
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   dependencies:
     __osx: '>=10.13'
     bzip2: '>=1.0.8,<2.0a0'
-    libcurl: '>=8.7.1,<9.0a0'
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     libexpat: '>=2.6.2,<3.0a0'
     libuv: '>=1.48.0,<2.0a0'
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     rhash: '>=1.4.4,<2.0a0'
     xz: '>=5.2.6,<6.0a0'
     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-64/cmake-3.29.3-h1304840_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-64/cmake-3.29.6-h749d262_0.conda
   hash:
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   category: main
   optional: false
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   dependencies:
     __osx: '>=11.0'
     bzip2: '>=1.0.8,<2.0a0'
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     libcxx: '>=16'
     libexpat: '>=2.6.2,<3.0a0'
     libuv: '>=1.48.0,<2.0a0'
-    libzlib: '>=1.2.13,<2.0.0a0'
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     rhash: '>=1.4.4,<2.0a0'
     xz: '>=5.2.6,<6.0a0'
     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/cmake-3.29.3-h2cf84f3_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/cmake-3.29.6-had79d8f_0.conda
   hash:
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   category: main
   optional: false
 - name: cmake
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+  version: 3.29.6
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   platform: win-64
   dependencies:
     bzip2: '>=1.0.8,<2.0a0'
-    libcurl: '>=8.7.1,<9.0a0'
+    libcurl: '>=8.8.0,<9.0a0'
     libexpat: '>=2.6.2,<3.0a0'
     libuv: '>=1.48.0,<2.0a0'
-    libzlib: '>=1.2.13,<2.0.0a0'
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     ucrt: '>=10.0.20348.0'
     vc14_runtime: '>=14.29.30139'
     xz: '>=5.2.6,<6.0a0'
     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/win-64/cmake-3.29.3-h75d51d9_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/cmake-3.29.6-h400e5d1_0.conda
   hash:
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-    sha256: cec52a4b3f52319ca65a48d63eaa5f6a1508b0beba7c52c6e299eb6d46ad1830
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   category: main
   optional: false
 - name: colorama
@@ -1213,9 +990,40 @@ package:
   category: main
   optional: false
 - name: dynasor
-  version: '2.0'
+  version: 1.1.1
   manager: conda
   platform: linux-64
+  dependencies:
+    libgcc-ng: '>=12'
+    numpy: ''
+    pip: ''
+    python: '>=3.11,<3.12.0a0'
+    python_abi: 3.11.*
+  url: https://conda.anaconda.org/conda-forge/linux-64/dynasor-1.1.1-py311hd4cff14_3.tar.bz2
+  hash:
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+    sha256: 78c74b56b7b38278df9422717f29674b241c3559c48e1ebe69808a4dec925f98
+  category: main
+  optional: false
+- name: dynasor
+  version: 1.1.1
+  manager: conda
+  platform: osx-64
+  dependencies:
+    numpy: ''
+    pip: ''
+    python: '>=3.11,<3.12.0a0'
+    python_abi: 3.11.*
+  url: https://conda.anaconda.org/conda-forge/osx-64/dynasor-1.1.1-py311h5547dcb_3.tar.bz2
+  hash:
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+    sha256: 5eca9396722f14f2ecc5751abc605d899bf2789c7c888ab272a3cb9acd25c7e0
+  category: main
+  optional: false
+- name: dynasor
+  version: '2.0'
+  manager: conda
+  platform: osx-arm64
   dependencies:
     ase: ''
     importlib-metadata: <5
@@ -1233,51 +1041,15 @@ package:
 - name: dynasor
   version: '2.0'
   manager: conda
-  platform: osx-64
+  platform: win-64
   dependencies:
-    pandas: ''
     ase: ''
+    importlib-metadata: <5
     mdanalysis: ''
-    python: '>=3.8'
-    numpy: '>=1.18'
     numba: '>=0.55'
-    importlib-metadata: <5
-  url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
-  hash:
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-    sha256: 5a7ee53084d269abd8425c45515a9236f47218bff2226efc5c41a898113ed4ae
-  category: main
-  optional: false
-- name: dynasor
-  version: '2.0'
-  manager: conda
-  platform: osx-arm64
-  dependencies:
-    pandas: ''
-    ase: ''
-    mdanalysis: ''
-    python: '>=3.8'
-    numpy: '>=1.18'
-    numba: '>=0.55'
-    importlib-metadata: <5
-  url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
-  hash:
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-    sha256: 5a7ee53084d269abd8425c45515a9236f47218bff2226efc5c41a898113ed4ae
-  category: main
-  optional: false
-- name: dynasor
-  version: '2.0'
-  manager: conda
-  platform: win-64
-  dependencies:
-    pandas: ''
-    ase: ''
-    mdanalysis: ''
-    python: '>=3.8'
-    numpy: '>=1.18'
-    numba: '>=0.55'
-    importlib-metadata: <5
+    numpy: '>=1.18'
+    pandas: ''
+    python: '>=3.8'
   url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
     md5: e6099aef9e3cb8b3a19499732dc3cd19
@@ -1345,30 +1117,6 @@ package:
     sha256: 89916c536ae5b85bb8bf0cfa27d751e274ea0911f04e4a928744735c14ef5155
   category: main
   optional: false
-- name: fasteners
-  version: 0.17.3
-  manager: conda
-  platform: linux-64
-  dependencies:
-    python: '>=3.6'
-  url: https://conda.anaconda.org/conda-forge/noarch/fasteners-0.17.3-pyhd8ed1ab_0.tar.bz2
-  hash:
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-    sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
-  category: main
-  optional: false
-- name: fasteners
-  version: 0.17.3
-  manager: conda
-  platform: osx-64
-  dependencies:
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-  url: https://conda.anaconda.org/conda-forge/noarch/fasteners-0.17.3-pyhd8ed1ab_0.tar.bz2
-  hash:
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-    sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
-  category: main
-  optional: false
 - name: fasteners
   version: 0.17.3
   manager: conda
@@ -1396,7 +1144,7 @@ package:
 - name: flask
   version: 3.0.3
   manager: conda
-  platform: linux-64
+  platform: osx-arm64
   dependencies:
     blinker: '>=1.6.2'
     click: '>=8.1.3'
@@ -1414,50 +1162,14 @@ package:
 - name: flask
   version: 3.0.3
   manager: conda
-  platform: osx-64
+  platform: win-64
   dependencies:
-    python: '>=3.8'
-    click: '>=8.1.3'
-    jinja2: '>=3.1.2'
-    importlib-metadata: '>=3.6.0'
-    itsdangerous: '>=2.1.2'
     blinker: '>=1.6.2'
-    werkzeug: '>=3.0.0'
-  url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
-  hash:
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-    sha256: 2fc508f656fe52cb2f9a69c9c62077934d6a81510256dbe85f95beb7d9620238
-  category: main
-  optional: false
-- name: flask
-  version: 3.0.3
-  manager: conda
-  platform: osx-arm64
-  dependencies:
-    python: '>=3.8'
     click: '>=8.1.3'
-    jinja2: '>=3.1.2'
     importlib-metadata: '>=3.6.0'
     itsdangerous: '>=2.1.2'
-    blinker: '>=1.6.2'
-    werkzeug: '>=3.0.0'
-  url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
-  hash:
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-    sha256: 2fc508f656fe52cb2f9a69c9c62077934d6a81510256dbe85f95beb7d9620238
-  category: main
-  optional: false
-- name: flask
-  version: 3.0.3
-  manager: conda
-  platform: win-64
-  dependencies:
-    python: '>=3.8'
-    click: '>=8.1.3'
     jinja2: '>=3.1.2'
-    importlib-metadata: '>=3.6.0'
-    itsdangerous: '>=2.1.2'
-    blinker: '>=1.6.2'
+    python: '>=3.8'
     werkzeug: '>=3.0.0'
   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
@@ -1518,7 +1230,7 @@ package:
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     libgcc-ng: '>=12'
     libuuid: '>=2.32.1,<3.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
   url: https://conda.anaconda.org/conda-forge/linux-64/fontconfig-2.14.2-h14ed4e7_0.conda
   hash:
     md5: 0f69b688f52ff6da70bccb7ff7001d1d
@@ -1553,7 +1265,7 @@ package:
   category: main
   optional: false
 - name: fonttools
-  version: 4.52.4
+  version: 4.53.0
   manager: conda
   platform: linux-64
   dependencies:
@@ -1562,14 +1274,14 @@ package:
     munkres: ''
     python: '>=3.11,<3.12.0a0'
     python_abi: 3.11.*
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/h5py-3.11.0-nompi_py311hd41bb03_101.conda
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-  url: https://conda.anaconda.org/conda-forge/win-64/h5py-3.11.0-nompi_py311h67016bb_101.conda
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+  url: https://conda.anaconda.org/conda-forge/win-64/hdf5-1.14.3-nompi_h2b43c12_105.conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-hf3520f5_1.conda
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-  manager: conda
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+  version: 18.1.8
   manager: conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libclang13-18.1.6-default_h5d6823c_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libclang13-18.1.8-default_h6ae225f_0.conda
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-  url: https://conda.anaconda.org/conda-forge/win-64/libclang13-18.1.6-default_hf64faad_0.conda
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     libgcc-ng: '>=12'
     libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libcurl-8.8.0-hca28451_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libcurl-8.8.0-hca28451_1.conda
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     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-64/libcurl-8.8.0-hf9fcc65_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-64/libcurl-8.8.0-hf9fcc65_1.conda
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     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/libcurl-8.8.0-h7b6f9a7_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/libcurl-8.8.0-h7b6f9a7_1.conda
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-  url: https://conda.anaconda.org/conda-forge/win-64/libcurl-8.8.0-hd5e4a3a_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/libcurl-8.8.0-hd5e4a3a_1.conda
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 - name: libcxx
@@ -3598,29 +3056,29 @@ package:
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+  version: 14.1.0
   manager: conda
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   dependencies:
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     _openmp_mutex: '>=4.5'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h77fa898_7.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-14.1.0-h77fa898_0.conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libgcrypt-1.10.3-hd590300_0.conda
+    libgpg-error: '>=1.50,<2.0a0'
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   category: main
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 - name: libgettextpo
@@ -3673,27 +3131,27 @@ package:
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   optional: false
 - name: libgfortran-ng
-  version: 13.2.0
+  version: 14.1.0
   manager: conda
   platform: linux-64
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libgfortran-ng-13.2.0-h69a702a_7.conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-13.2.0-hca663fb_7.conda
+    libgcc-ng: '>=14.1.0'
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 - name: libgfortran5
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libglib-2.80.2-hf974151_0.conda
+    libzlib: '>=1.3.1,<2.0a0'
+    pcre2: '>=10.44,<10.45.0a0'
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   hash:
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 - name: libglib
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     vc: '>=14.2,<15'
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-  url: https://conda.anaconda.org/conda-forge/win-64/libglib-2.80.2-h0df6a38_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/libglib-2.80.2-h7025463_1.conda
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-  version: 13.2.0
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libgomp-13.2.0-h77fa898_7.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libgomp-14.1.0-h77fa898_0.conda
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 - name: libgpg-error
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   dependencies:
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     libstdcxx-ng: '>=12'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libgpg-error-1.49-h4f305b6_0.conda
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 - name: libhwloc
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   category: main
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-  manager: conda
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   url: https://conda.anaconda.org/conda-forge/linux-64/libllvm15-15.0.7-hb3ce162_4.conda
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     sha256: e71584c0f910140630580fdd0a013029a52fd31e435192aea2aa8d29005262d1
   category: main
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-  manager: conda
-  platform: linux-64
-  dependencies:
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-    libstdcxx-ng: '>=12'
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-    zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libllvm18-18.1.6-hb77312f_0.conda
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-  category: main
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-- name: libnetcdf
-  version: 4.9.2
-  manager: conda
-  platform: linux-64
-  dependencies:
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-    bzip2: '>=1.0.8,<2.0a0'
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-    libzlib: '>=1.2.13,<1.3.0a0'
-    openssl: '>=3.2.0,<4.0a0'
-    zlib: ''
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libnetcdf-4.9.2-nompi_h9612171_113.conda
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-  category: main
-  optional: false
-- name: libnetcdf
-  version: 4.9.2
+  optional: false
+- name: libllvm18
+  version: 18.1.8
   manager: conda
-  platform: osx-64
+  platform: linux-64
   dependencies:
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-    blosc: '>=1.21.5,<2.0a0'
-    bzip2: '>=1.0.8,<2.0a0'
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-    openssl: '>=3.2.0,<4.0a0'
-    zlib: ''
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-64/libnetcdf-4.9.2-nompi_h7760872_113.conda
+    libgcc-ng: '>=12'
+    libstdcxx-ng: '>=12'
+    libxml2: '>=2.12.7,<3.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/libllvm18-18.1.8-hc9dba70_0.conda
   hash:
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-    sha256: 3d6a950d82a8dfb9fa51c263e543cfa9c113703add20646ec85401e7b557da49
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   category: main
   optional: false
 - name: libnetcdf
@@ -4137,24 +3518,24 @@ package:
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   platform: osx-arm64
   dependencies:
-    __osx: '>=10.9'
+    __osx: '>=11.0'
     blosc: '>=1.21.5,<2.0a0'
     bzip2: '>=1.0.8,<2.0a0'
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-    libcurl: '>=8.5.0,<9.0a0'
-    libcxx: '>=16.0.6'
-    libxml2: '>=2.12.2,<3.0.0a0'
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+    libcurl: '>=8.8.0,<9.0a0'
+    libcxx: '>=16'
+    libxml2: '>=2.12.7,<3.0a0'
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-    libzlib: '>=1.2.13,<1.3.0a0'
-    openssl: '>=3.2.0,<4.0a0'
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     zlib: ''
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/libnetcdf-4.9.2-nompi_h291a7c2_113.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/libnetcdf-4.9.2-nompi_he469be0_114.conda
   hash:
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   category: main
   optional: false
 - name: libnetcdf
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     hdf5: '>=1.14.3,<1.14.4.0a0'
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-    libcurl: '>=8.5.0,<9.0a0'
-    libxml2: '>=2.12.2,<3.0.0a0'
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-    libzlib: '>=1.2.13,<1.3.0a0'
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     vc: '>=14.2,<15'
     vc14_runtime: '>=14.29.30139'
     zlib: ''
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/win-64/libnetcdf-4.9.2-nompi_h07c049d_113.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/win-64/libnetcdf-4.9.2-nompi_h92078aa_114.conda
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   category: main
   optional: false
 - name: libnghttp2
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     libgcc-ng: '>=12'
     libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     openssl: '>=3.2.0,<4.0a0'
   url: https://conda.anaconda.org/conda-forge/linux-64/libnghttp2-1.58.0-h47da74e_1.conda
   hash:
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     libcxx: '>=16.0.6'
     libev: '>=4.33,<5.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
     openssl: '>=3.2.0,<4.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-64/libnghttp2-1.58.0-h64cf6d3_1.conda
   hash:
@@ -4225,7 +3606,7 @@ package:
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     libcxx: '>=16.0.6'
     libev: '>=4.33,<5.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     openssl: '>=3.2.0,<4.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-arm64/libnghttp2-1.58.0-ha4dd798_1.conda
   hash:
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   category: main
   optional: false
 - name: libogg
-  version: 1.3.4
+  version: 1.3.5
   manager: conda
   platform: linux-64
   dependencies:
-    libgcc-ng: '>=9.3.0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libogg-1.3.4-h7f98852_1.tar.bz2
+    libgcc-ng: '>=12'
+  url: https://conda.anaconda.org/conda-forge/linux-64/libogg-1.3.5-h4ab18f5_0.conda
   hash:
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   category: main
   optional: false
 - name: libogg
-  version: 1.3.4
+  version: 1.3.5
   manager: conda
   platform: win-64
   dependencies:
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-    vs2015_runtime: '>=14.16.27012'
-  url: https://conda.anaconda.org/conda-forge/win-64/libogg-1.3.4-h8ffe710_1.tar.bz2
+    ucrt: '>=10.0.20348.0'
+    vc: '>=14.2,<15'
+    vc14_runtime: '>=14.29.30139'
+  url: https://conda.anaconda.org/conda-forge/win-64/libogg-1.3.5-h2466b09_0.conda
   hash:
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   category: main
   optional: false
 - name: libopenblas
@@ -4330,7 +3712,7 @@ package:
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   dependencies:
     libgcc-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
   url: https://conda.anaconda.org/conda-forge/linux-64/libpng-1.6.43-h2797004_0.conda
   hash:
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@@ -4342,7 +3724,7 @@ package:
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   platform: osx-64
   dependencies:
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-64/libpng-1.6.43-h92b6c6a_0.conda
   hash:
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@@ -4354,7 +3736,7 @@ package:
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   platform: osx-arm64
   dependencies:
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-arm64/libpng-1.6.43-h091b4b1_0.conda
   hash:
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@@ -4366,7 +3748,7 @@ package:
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   platform: win-64
   dependencies:
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+    libzlib: '>=1.2.13,<2.0.0a0'
     ucrt: '>=10.0.20348.0'
     vc: '>=14.2,<15'
     vc14_runtime: '>=14.29.30139'
@@ -4410,54 +3792,56 @@ package:
   category: main
   optional: false
 - name: libsqlite
-  version: 3.45.3
+  version: 3.46.0
   manager: conda
   platform: linux-64
   dependencies:
     libgcc-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.45.3-h2797004_0.conda
+    libzlib: '>=1.2.13,<2.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.46.0-hde9e2c9_0.conda
   hash:
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-    sha256: e2273d6860eadcf714a759ffb6dc24a69cfd01f2a0ea9d6c20f86049b9334e0c
+    md5: 18aa975d2094c34aef978060ae7da7d8
+    sha256: daee3f68786231dad457d0dfde3f7f1f9a7f2018adabdbb864226775101341a8
   category: main
   optional: false
 - name: libsqlite
-  version: 3.45.3
+  version: 3.46.0
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   platform: osx-64
   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/osx-64/libsqlite-3.45.3-h92b6c6a_0.conda
+    __osx: '>=10.13'
+    libzlib: '>=1.2.13,<2.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-64/libsqlite-3.46.0-h1b8f9f3_0.conda
   hash:
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   category: main
   optional: false
 - name: libsqlite
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+  version: 3.46.0
   manager: conda
   platform: osx-arm64
   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/libsqlite-3.45.3-h091b4b1_0.conda
+    __osx: '>=11.0'
+    libzlib: '>=1.2.13,<2.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/libsqlite-3.46.0-hfb93653_0.conda
   hash:
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   category: main
   optional: false
 - name: libsqlite
-  version: 3.45.3
+  version: 3.46.0
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   platform: win-64
   dependencies:
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     vc: '>=14.2,<15'
     vc14_runtime: '>=14.29.30139'
-  url: https://conda.anaconda.org/conda-forge/win-64/libsqlite-3.45.3-hcfcfb64_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/libsqlite-3.46.0-h2466b09_0.conda
   hash:
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-    sha256: 06ec75faa51d7ec6d5db98889e869b579a9df19d7d3d9baff8359627da4a3b7e
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   category: main
   optional: false
 - name: libssh2
@@ -4466,7 +3850,7 @@ package:
   platform: linux-64
   dependencies:
     libgcc-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
     openssl: '>=3.1.1,<4.0a0'
   url: https://conda.anaconda.org/conda-forge/linux-64/libssh2-1.11.0-h0841786_0.conda
   hash:
@@ -4479,7 +3863,7 @@ package:
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   platform: osx-64
   dependencies:
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
     openssl: '>=3.1.1,<4.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-64/libssh2-1.11.0-hd019ec5_0.conda
   hash:
@@ -4492,7 +3876,7 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
     openssl: '>=3.1.1,<4.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-arm64/libssh2-1.11.0-h7a5bd25_0.conda
   hash:
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   platform: win-64
   dependencies:
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
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     ucrt: '>=10.0.20348.0'
     vc: '>=14.2,<15'
@@ -4517,14 +3901,15 @@ package:
   category: main
   optional: false
 - name: libstdcxx-ng
-  version: 13.2.0
+  version: 14.1.0
   manager: conda
   platform: linux-64
-  dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-hc0a3c3a_7.conda
+  dependencies:
+    libgcc-ng: 14.1.0
+  url: https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-14.1.0-hc0a3c3a_0.conda
   hash:
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-    sha256: 35f1e08be0a84810c9075f5bd008495ac94e6c5fe306dfe4b34546f11fed850f
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   category: main
   optional: false
 - name: libsystemd0
@@ -4556,7 +3941,7 @@ package:
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     libstdcxx-ng: '>=12'
     libwebp-base: '>=1.3.2,<2.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
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     zstd: '>=1.5.5,<1.6.0a0'
   url: https://conda.anaconda.org/conda-forge/linux-64/libtiff-4.6.0-h1dd3fc0_3.conda
@@ -4575,7 +3960,7 @@ package:
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     libjpeg-turbo: '>=3.0.0,<4.0a0'
     libwebp-base: '>=1.3.2,<2.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
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     zstd: '>=1.5.5,<1.6.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-64/libtiff-4.6.0-h129831d_3.conda
@@ -4594,7 +3979,7 @@ package:
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     libjpeg-turbo: '>=3.0.0,<4.0a0'
     libwebp-base: '>=1.3.2,<2.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     m2w64-gcc-libs-core: ''
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@@ -4972,144 +4328,112 @@ package:
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   category: main
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-- name: markupsafe
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-  url: https://conda.anaconda.org/conda-forge/linux-64/markupsafe-2.1.5-py311h459d7ec_0.conda
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-    python_abi: 3.11.*
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   category: main
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-- name: mda-xdrlib
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-  dependencies:
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-  url: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_0.conda
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-- name: mda-xdrlib
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-  dependencies:
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-  url: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_0.conda
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-  category: main
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 - name: mda-xdrlib
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   platform: win-64
   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_0.conda
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-- name: mdanalysis
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-    tidynamics: '>=1.0.0'
-    tqdm: '>=4.43.0'
-  url: https://conda.anaconda.org/conda-forge/osx-64/mdanalysis-2.7.0-py311hab14417_1.conda
+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_0.conda
   hash:
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   category: main
   optional: false
 - name: mdanalysis
@@ -5658,32 +4848,6 @@ package:
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   category: main
   optional: false
-- name: mmtf-python
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-  manager: conda
-  platform: linux-64
-  dependencies:
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-    python: '>=3.6'
-  url: https://conda.anaconda.org/conda-forge/noarch/mmtf-python-1.1.3-pyhd8ed1ab_0.tar.bz2
-  hash:
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-- name: mmtf-python
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-  manager: conda
-  platform: osx-64
-  dependencies:
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-    python: '>=3.6'
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-  hash:
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 - name: mmtf-python
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   category: main
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-- name: mrcfile
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-    python: '>=3.6'
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-- name: mrcfile
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   manager: conda
   platform: osx-arm64
   dependencies:
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     numpy: '>=1.16'
+    python: '>=3.6'
   url: https://conda.anaconda.org/conda-forge/noarch/mrcfile-1.5.0-pyhd8ed1ab_0.conda
   hash:
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@@ -5892,44 +5030,14 @@ package:
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   platform: win-64
   dependencies:
-    python: '>=3.6'
     numpy: '>=1.16'
+    python: '>=3.6'
   url: https://conda.anaconda.org/conda-forge/noarch/mrcfile-1.5.0-pyhd8ed1ab_0.conda
   hash:
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   category: main
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-- name: msgpack-python
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-    libstdcxx-ng: '>=12'
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-    python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/linux-64/msgpack-python-1.0.8-py311h52f7536_0.conda
-  hash:
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-- name: msgpack-python
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-    python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/osx-64/msgpack-python-1.0.8-py311h46c8309_0.conda
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@@ -6041,7 +5149,7 @@ package:
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     libgcc-ng: '>=12'
     libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     openssl: '>=3.2.1,<4.0a0'
     zstd: '>=1.5.5,<1.6.0a0'
@@ -6086,49 +5194,7 @@ package:
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   optional: false
 - name: netcdf4
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-  manager: conda
-  platform: linux-64
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-    python: '>=3.11,<3.12.0a0'
-    python_abi: 3.11.*
-    setuptools: ''
-  url: https://conda.anaconda.org/conda-forge/linux-64/netcdf4-1.6.5-nompi_py311h74118c1_101.conda
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-  category: main
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-- name: netcdf4
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-  manager: conda
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-  dependencies:
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-    certifi: ''
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-    numpy: '>=1.19,<3'
-    python: '>=3.11,<3.12.0a0'
-    python_abi: 3.11.*
-    setuptools: ''
-  url: https://conda.anaconda.org/conda-forge/osx-64/netcdf4-1.6.5-nompi_py311hab941cd_101.conda
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-  category: main
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-- name: netcdf4
-  version: 1.6.5
+  version: 1.7.1
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   platform: osx-arm64
   dependencies:
@@ -6137,19 +5203,19 @@ package:
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     libnetcdf: '>=4.9.2,<4.9.3.0a0'
-    libzlib: '>=1.2.13,<2.0.0a0'
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     python_abi: 3.11.*
     setuptools: ''
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/netcdf4-1.6.5-nompi_py311hd61c382_101.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/netcdf4-1.7.1-nompi_py311h42682c7_101.conda
   hash:
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   optional: false
 - name: netcdf4
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+  version: 1.7.1
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     libnetcdf: '>=4.9.2,<4.9.3.0a0'
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     python_abi: 3.11.*
@@ -6165,34 +5231,10 @@ package:
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     vc: '>=14.2,<15'
     vc14_runtime: '>=14.29.30139'
-  url: https://conda.anaconda.org/conda-forge/win-64/netcdf4-1.6.5-nompi_py311hb75404a_101.conda
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-- name: networkx
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-  url: https://conda.anaconda.org/conda-forge/noarch/networkx-3.3-pyhd8ed1ab_1.conda
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-- name: networkx
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-  dependencies:
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-  url: https://conda.anaconda.org/conda-forge/noarch/networkx-3.3-pyhd8ed1ab_1.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/netcdf4-1.7.1-nompi_py311hbdc12eb_101.conda
   hash:
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   category: main
   optional: false
 - name: networkx
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   optional: false
 - name: nss
-  version: '3.100'
+  version: '3.101'
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   dependencies:
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-- name: numba
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-    python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/osx-64/numba-0.59.1-py311h97119f7_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/nss-3.101-h593d115_0.conda
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@@ -7040,42 +6013,12 @@ package:
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   manager: conda
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-- name: pytng
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/pytng-0.3.1-py311hbb31caf_2.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/pytng-0.3.3-py311h7a0eb88_0.conda
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-  url: https://conda.anaconda.org/conda-forge/noarch/pytz-2024.1-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/pytng-0.3.3-py311h3f3a028_0.conda
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-  url: https://conda.anaconda.org/conda-forge/osx-64/zlib-1.2.13-h87427d6_6.conda
+    libzlib: 1.3.1
+  url: https://conda.anaconda.org/conda-forge/linux-64/zlib-1.3.1-h4ab18f5_1.conda
   hash:
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-    sha256: 3091d48a579c08ba20885bc8856def925e9dee9d1a7d8713e3ce002eb29fcd19
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   category: main
   optional: false
 - name: zlib
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-    libzlib: 1.2.13
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.2.13-hfb2fe0b_6.conda
+    libzlib: 1.3.1
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.3.1-hfb2fe0b_1.conda
   hash:
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-    sha256: c09c9cb6de86d87b9267a6331c74cc8fb05bae5ee7749070a5e8883c3eff5424
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   category: main
   optional: false
 - name: zlib
-  version: 1.2.13
+  version: 1.3.1
   manager: conda
   platform: win-64
   dependencies:
-    libzlib: 1.2.13
+    libzlib: 1.3.1
     ucrt: '>=10.0.20348.0'
     vc: '>=14.2,<15'
     vc14_runtime: '>=14.29.30139'
-  url: https://conda.anaconda.org/conda-forge/win-64/zlib-1.2.13-h2466b09_6.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/zlib-1.3.1-h2466b09_1.conda
   hash:
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-    sha256: 7aebf311fdb9227deddaedc33ace85bc960f5116ffb31f3ff07db380dfca0b41
+    md5: f8e0a35bf6df768ad87ed7bbbc36ab04
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   category: main
   optional: false
 - name: zstd
diff --git a/.github/workflows/env-files/py312-conda-lock.yml b/.github/workflows/env-files/py312-conda-lock.yml
index 7db592bb1..f0aaa7875 100644
--- a/.github/workflows/env-files/py312-conda-lock.yml
+++ b/.github/workflows/env-files/py312-conda-lock.yml
@@ -53,19 +53,19 @@ package:
   category: main
   optional: false
 - name: alsa-lib
-  version: 1.2.11
+  version: 1.2.12
   manager: conda
   platform: linux-64
   dependencies:
     libgcc-ng: '>=12'
-  url: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.11-hd590300_1.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.12-h4ab18f5_0.conda
   hash:
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-    sha256: 0e2b75b9834a6e520b13db516f7cf5c9cea8f0bbc9157c978444173dacb98fec
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   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: linux-64
   dependencies:
@@ -74,58 +74,58 @@ package:
     numpy: ''
     python: '>=3.5'
     scipy: ''
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
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+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: ase
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+  version: 3.23.0
   manager: conda
   platform: osx-64
   dependencies:
-    numpy: ''
-    scipy: ''
-    matplotlib-base: ''
     flask: ''
+    matplotlib-base: ''
+    numpy: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
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   category: main
   optional: false
 - name: ase
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+  version: 3.23.0
   manager: conda
   platform: osx-arm64
   dependencies:
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-    scipy: ''
-    matplotlib-base: ''
     flask: ''
+    matplotlib-base: ''
+    numpy: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: win-64
   dependencies:
-    numpy: ''
-    scipy: ''
-    matplotlib-base: ''
     flask: ''
+    matplotlib-base: ''
+    numpy: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
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   category: main
   optional: false
 - name: attr
@@ -249,72 +249,72 @@ package:
   category: main
   optional: false
 - name: blosc
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+  version: 1.21.6
   manager: conda
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   dependencies:
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     libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.5-hc2324a3_1.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.6-hef167b5_0.conda
   hash:
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   optional: false
 - name: blosc
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+  version: 1.21.6
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   platform: osx-64
   dependencies:
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+    __osx: '>=10.13'
     libcxx: '>=16'
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-  url: https://conda.anaconda.org/conda-forge/osx-64/blosc-1.21.5-hafa3907_1.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-64/blosc-1.21.6-h7d75f6d_0.conda
   hash:
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   platform: osx-arm64
   dependencies:
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     libcxx: '>=16'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     snappy: '>=1.2.0,<1.3.0a0'
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.5-h9c252e8_1.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.6-h5499902_0.conda
   hash:
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   category: main
   optional: false
 - name: blosc
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+  version: 1.21.6
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   platform: win-64
   dependencies:
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+    libzlib: '>=1.3.1,<2.0a0'
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-  url: https://conda.anaconda.org/conda-forge/win-64/blosc-1.21.5-hbd69f2e_1.conda
+    vc: '>=14.2,<15'
+    vc14_runtime: '>=14.29.30139'
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/win-64/blosc-1.21.6-h85f69ea_0.conda
   hash:
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-    sha256: a74c8a91bee3947f9865abd057ce33a1ebb728f04041bfd47bc478fdc133ca22
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   category: main
   optional: false
 - name: brotli
@@ -516,47 +516,47 @@ package:
   category: main
   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: linux-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.2.2-hbcca054_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.6.2-hbcca054_0.conda
   hash:
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-    sha256: 91d81bfecdbb142c15066df70cc952590ae8991670198f92c66b62019b251aeb
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   category: main
   optional: false
 - name: ca-certificates
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   platform: osx-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/osx-64/ca-certificates-2024.2.2-h8857fd0_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-64/ca-certificates-2024.6.2-h8857fd0_0.conda
   hash:
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   category: main
   optional: false
 - name: ca-certificates
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   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/ca-certificates-2024.2.2-hf0a4a13_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/ca-certificates-2024.6.2-hf0a4a13_0.conda
   hash:
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   category: main
   optional: false
 - name: ca-certificates
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   platform: win-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/win-64/ca-certificates-2024.2.2-h56e8100_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/ca-certificates-2024.6.2-h56e8100_0.conda
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-    libglib: '>=2.78.0,<3.0a0'
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-    libzlib: '>=1.2.13,<1.3.0a0'
-    pixman: '>=0.42.2,<1.0a0'
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     xorg-libsm: '>=1.2.4,<2.0a0'
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     xorg-libxrender: '>=0.9.11,<0.10.0a0'
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-  url: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.0-h3faef2a_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.0-hbb29018_2.conda
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   optional: false
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-  version: 2024.2.2
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-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
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-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
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-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
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-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
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+    openssl: '>=3.3.1,<4.0a0'
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+  version: 14.1.0
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libgfortran-ng-13.2.0-h69a702a_7.conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-13.2.0-hca663fb_7.conda
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-  url: https://conda.anaconda.org/conda-forge/win-64/libglib-2.80.2-h0df6a38_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/libglib-2.80.2-h7025463_1.conda
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-  version: 13.2.0
+  version: 14.1.0
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   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libgomp-13.2.0-h77fa898_7.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libgomp-14.1.0-h77fa898_0.conda
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+  version: '1.50'
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   dependencies:
@@ -3777,10 +3781,10 @@ package:
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     libstdcxx-ng: '>=12'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libgpg-error-1.49-h4f305b6_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libgpg-error-1.50-h4f305b6_0.conda
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 - name: libhwloc
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     libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
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-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
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@@ -4043,7 +4047,7 @@ package:
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-    libzlib: '>=1.2.13,<1.3.0a0'
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@@ -4058,7 +4062,7 @@ package:
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     zstd: '>=1.5.5,<1.6.0a0'
   url: https://conda.anaconda.org/conda-forge/linux-64/libllvm15-15.0.7-hb3ce162_4.conda
   hash:
@@ -4067,19 +4071,19 @@ package:
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libllvm18-18.1.6-hb77312f_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libllvm18-18.1.8-hc9dba70_0.conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libnetcdf-4.9.2-nompi_h9612171_113.conda
+    zstd: '>=1.5.6,<1.6.0a0'
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@@ -4112,24 +4116,24 @@ package:
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   platform: osx-64
   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/osx-64/libnetcdf-4.9.2-nompi_h7760872_113.conda
+    zstd: '>=1.5.6,<1.6.0a0'
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 - name: libnetcdf
@@ -4137,24 +4141,24 @@ package:
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   platform: osx-arm64
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   url: https://conda.anaconda.org/conda-forge/linux-64/libnghttp2-1.58.0-h47da74e_1.conda
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   url: https://conda.anaconda.org/conda-forge/osx-arm64/libnghttp2-1.58.0-ha4dd798_1.conda
   hash:
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 - name: libogg
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   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libogg-1.3.4-h7f98852_1.tar.bz2
+    libgcc-ng: '>=12'
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 - name: libogg
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-  url: https://conda.anaconda.org/conda-forge/win-64/libogg-1.3.4-h8ffe710_1.tar.bz2
+    ucrt: '>=10.0.20348.0'
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+    vc14_runtime: '>=14.29.30139'
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   category: main
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 - name: libopenblas
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-    libzlib: '>=1.2.13,<1.3.0a0'
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@@ -4342,7 +4347,7 @@ package:
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   hash:
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@@ -4354,7 +4359,7 @@ package:
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-  url: https://conda.anaconda.org/conda-forge/linux-64/xcb-util-renderutil-0.3.9-hd590300_1.conda
+    libxcb: '>=1.16,<1.17.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/xcb-util-renderutil-0.3.10-hb711507_0.conda
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 - name: xcb-util-wm
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   dependencies:
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-    libxcb: '>=1.15,<1.16.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/xcb-util-wm-0.4.1-h8ee46fc_1.conda
+    libxcb: '>=1.16,<1.17.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/xcb-util-wm-0.4.2-hb711507_0.conda
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   category: main
   optional: false
 - name: xkeyboard-config
-  version: '2.41'
+  version: '2.42'
   manager: conda
   platform: linux-64
   dependencies:
     libgcc-ng: '>=12'
-    xorg-libx11: '>=1.8.7,<2.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/xkeyboard-config-2.41-hd590300_0.conda
+    xorg-libx11: '>=1.8.9,<2.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/xkeyboard-config-2.42-h4ab18f5_0.conda
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   category: main
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 - name: xorg-kbproto
@@ -9413,14 +9429,14 @@ package:
   platform: linux-64
   dependencies:
     libgcc-ng: '>=12'
-    libxcb: '>=1.15,<1.16.0a0'
+    libxcb: '>=1.16,<1.17.0a0'
     xorg-kbproto: ''
     xorg-xextproto: '>=7.3.0,<8.0a0'
     xorg-xproto: ''
-  url: https://conda.anaconda.org/conda-forge/linux-64/xorg-libx11-1.8.9-h8ee46fc_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/xorg-libx11-1.8.9-hb711507_1.conda
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   category: main
   optional: false
 - name: xorg-libxau
@@ -9640,105 +9656,105 @@ package:
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   optional: false
 - name: zipp
-  version: 3.17.0
+  version: 3.19.2
   manager: conda
   platform: linux-64
   dependencies:
     python: '>=3.8'
-  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.17.0-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.19.2-pyhd8ed1ab_0.conda
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   category: main
   optional: false
 - name: zipp
-  version: 3.17.0
+  version: 3.19.2
   manager: conda
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   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.17.0-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.19.2-pyhd8ed1ab_0.conda
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   category: main
   optional: false
 - name: zipp
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+  version: 3.19.2
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   platform: osx-arm64
   dependencies:
     python: '>=3.8'
-  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.17.0-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.19.2-pyhd8ed1ab_0.conda
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   category: main
   optional: false
 - name: zipp
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   dependencies:
     python: '>=3.8'
-  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.17.0-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.19.2-pyhd8ed1ab_0.conda
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   category: main
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 - name: zlib
-  version: 1.2.13
+  version: 1.3.1
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   platform: linux-64
   dependencies:
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-    libzlib: 1.2.13
-  url: https://conda.anaconda.org/conda-forge/linux-64/zlib-1.2.13-h4ab18f5_6.conda
+    libzlib: 1.3.1
+  url: https://conda.anaconda.org/conda-forge/linux-64/zlib-1.3.1-h4ab18f5_1.conda
   hash:
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   optional: false
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-    libzlib: 1.2.13
-  url: https://conda.anaconda.org/conda-forge/osx-64/zlib-1.2.13-h87427d6_6.conda
+    libzlib: 1.3.1
+  url: https://conda.anaconda.org/conda-forge/osx-64/zlib-1.3.1-h87427d6_1.conda
   hash:
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   category: main
   optional: false
 - name: zlib
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   dependencies:
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-    libzlib: 1.2.13
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.2.13-hfb2fe0b_6.conda
+    libzlib: 1.3.1
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.3.1-hfb2fe0b_1.conda
   hash:
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   category: main
   optional: false
 - name: zlib
-  version: 1.2.13
+  version: 1.3.1
   manager: conda
   platform: win-64
   dependencies:
-    libzlib: 1.2.13
+    libzlib: 1.3.1
     ucrt: '>=10.0.20348.0'
     vc: '>=14.2,<15'
     vc14_runtime: '>=14.29.30139'
-  url: https://conda.anaconda.org/conda-forge/win-64/zlib-1.2.13-h2466b09_6.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/zlib-1.3.1-h2466b09_1.conda
   hash:
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-    sha256: 7aebf311fdb9227deddaedc33ace85bc960f5116ffb31f3ff07db380dfca0b41
+    md5: f8e0a35bf6df768ad87ed7bbbc36ab04
+    sha256: 76409556e6c7cb91991cd94d7fc853c9272c2872bd7e3573ff35eb33d6fca5be
   category: main
   optional: false
 - name: zstd
diff --git a/.github/workflows/env-files/py39-conda-lock.yml b/.github/workflows/env-files/py39-conda-lock.yml
index b537709a8..2e0c9b4c8 100644
--- a/.github/workflows/env-files/py39-conda-lock.yml
+++ b/.github/workflows/env-files/py39-conda-lock.yml
@@ -53,19 +53,19 @@ package:
   category: main
   optional: false
 - name: alsa-lib
-  version: 1.2.11
+  version: 1.2.12
   manager: conda
   platform: linux-64
   dependencies:
     libgcc-ng: '>=12'
-  url: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.11-hd590300_1.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.12-h4ab18f5_0.conda
   hash:
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-    sha256: 0e2b75b9834a6e520b13db516f7cf5c9cea8f0bbc9157c978444173dacb98fec
+    md5: 7ed427f0871fd41cb1d9c17727c17589
+    sha256: 64b95dd06d7ca6b54cea03b02da8f1657b9899ca376d0ca7b47823064f55fb16
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: linux-64
   dependencies:
@@ -74,58 +74,58 @@ package:
     numpy: ''
     python: '>=3.5'
     scipy: ''
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: osx-64
   dependencies:
-    numpy: ''
-    scipy: ''
-    matplotlib-base: ''
     flask: ''
+    matplotlib-base: ''
+    numpy: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
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   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: osx-arm64
   dependencies:
-    numpy: ''
-    scipy: ''
-    matplotlib-base: ''
     flask: ''
+    matplotlib-base: ''
+    numpy: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
   category: main
   optional: false
 - name: ase
-  version: 3.22.1
+  version: 3.23.0
   manager: conda
   platform: win-64
   dependencies:
-    numpy: ''
-    scipy: ''
-    matplotlib-base: ''
     flask: ''
+    matplotlib-base: ''
+    numpy: ''
     python: '>=3.5'
-  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.22.1-pyhd8ed1ab_1.tar.bz2
+    scipy: ''
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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-    sha256: 93f1a4c4d8cc0e176a52c761a32e0be7f28f6b07bc985d5a4dc1ddd7b4f24239
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   category: main
   optional: false
 - name: attr
@@ -140,35 +140,6 @@ package:
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   category: main
   optional: false
-- name: biopython
-  version: '1.83'
-  manager: conda
-  platform: linux-64
-  dependencies:
-    libgcc-ng: '>=12'
-    numpy: <2.0a0
-    python: '>=3.9,<3.10.0a0'
-    python_abi: 3.9.*
-  url: https://conda.anaconda.org/conda-forge/linux-64/biopython-1.83-py39hd1e30aa_0.conda
-  hash:
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-    sha256: f110bec0f7f58147535103fd30ceb795fe2ff009a49b5ad6a95eea3efcb4d5db
-  category: main
-  optional: false
-- name: biopython
-  version: '1.83'
-  manager: conda
-  platform: osx-64
-  dependencies:
-    numpy: <2.0a0
-    python: '>=3.9,<3.10.0a0'
-    python_abi: 3.9.*
-  url: https://conda.anaconda.org/conda-forge/osx-64/biopython-1.83-py39ha09f3b3_0.conda
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-  category: main
-  optional: false
 - name: biopython
   version: '1.83'
   manager: conda
@@ -249,72 +220,38 @@ package:
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   optional: false
 - name: blosc
-  version: 1.21.5
-  manager: conda
-  platform: linux-64
-  dependencies:
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-    libstdcxx-ng: '>=12'
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-    snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.5-hc2324a3_1.conda
-  hash:
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-  category: main
-  optional: false
-- name: blosc
-  version: 1.21.5
-  manager: conda
-  platform: osx-64
-  dependencies:
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-    libcxx: '>=16'
-    libzlib: '>=1.2.13,<1.3.0a0'
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-    snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-64/blosc-1.21.5-hafa3907_1.conda
-  hash:
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-    sha256: a2e867d61ce398187d59f59e034e8651c825cb33224d2c6f315876b6df5e2161
-  category: main
-  optional: false
-- name: blosc
-  version: 1.21.5
+  version: 1.21.6
   manager: conda
   platform: osx-arm64
   dependencies:
     __osx: '>=11.0'
     libcxx: '>=16'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.3.1,<2.0a0'
     lz4-c: '>=1.9.3,<1.10.0a0'
     snappy: '>=1.2.0,<1.3.0a0'
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.5-h9c252e8_1.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.6-h5499902_0.conda
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   optional: false
 - name: blosc
-  version: 1.21.5
+  version: 1.21.6
   manager: conda
   platform: win-64
   dependencies:
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+    libzlib: '>=1.3.1,<2.0a0'
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     snappy: '>=1.2.0,<1.3.0a0'
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-  url: https://conda.anaconda.org/conda-forge/win-64/blosc-1.21.5-hbd69f2e_1.conda
+    vc: '>=14.2,<15'
+    vc14_runtime: '>=14.29.30139'
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/win-64/blosc-1.21.6-h85f69ea_0.conda
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   category: main
   optional: false
 - name: brotli
@@ -516,71 +453,47 @@ package:
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   optional: false
 - name: ca-certificates
-  version: 2024.2.2
+  version: 2024.6.2
   manager: conda
   platform: linux-64
   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.2.2-hbcca054_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.6.2-hbcca054_0.conda
   hash:
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+  version: 2024.6.2
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   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/osx-64/ca-certificates-2024.2.2-h8857fd0_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-64/ca-certificates-2024.6.2-h8857fd0_0.conda
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   optional: false
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   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/ca-certificates-2024.2.2-hf0a4a13_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/ca-certificates-2024.6.2-hf0a4a13_0.conda
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   optional: false
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   dependencies: {}
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-  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
+  url: https://conda.anaconda.org/conda-forge/win-64/ca-certificates-2024.6.2-h56e8100_0.conda
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   category: main
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+  url: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.0-hbb29018_2.conda
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   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
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-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
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-  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
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-    python_abi: 3.9.*
-  url: https://conda.anaconda.org/conda-forge/osx-64/cftime-1.6.3-py39hb943cd9_1.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.6.2-pyhd8ed1ab_0.conda
   hash:
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 - name: cftime
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     python: '>=3.9,<3.10.0a0'
     python_abi: 3.9.*
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/cftime-1.6.3-py39h161d348_1.conda
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-  url: https://conda.anaconda.org/conda-forge/win-64/cftime-1.6.3-py39h4b0a98a_1.conda
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@@ -837,8 +696,8 @@ package:
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   platform: win-64
   dependencies:
-    colorama: ''
     __win: ''
+    colorama: ''
     python: '>=3.8'
   url: https://conda.anaconda.org/conda-forge/noarch/click-8.1.7-win_pyh7428d3b_0.conda
   hash:
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-  url: https://conda.anaconda.org/conda-forge/linux-64/cmake-3.29.3-h91dbaaa_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/cmake-3.29.6-hcafd917_0.conda
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+  url: https://conda.anaconda.org/conda-forge/osx-64/cmake-3.29.6-h749d262_0.conda
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/cmake-3.29.3-h2cf84f3_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/cmake-3.29.6-had79d8f_0.conda
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     libuv: '>=1.48.0,<2.0a0'
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-  url: https://conda.anaconda.org/conda-forge/win-64/cmake-3.29.3-h75d51d9_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/cmake-3.29.6-h400e5d1_0.conda
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@@ -1213,39 +1072,40 @@ package:
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+  version: '1.2'
   manager: conda
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-    mdanalysis: ''
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-    python: '>=3.8'
-  url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
+    libgcc-ng: '>=12'
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+    pip: ''
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-  url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
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+    numpy: ''
+    pip: ''
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+    python_abi: 3.9.*
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   platform: osx-arm64
   dependencies:
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     ase: ''
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     mdanalysis: ''
-    python: '>=3.8'
-    numpy: '>=1.18'
     numba: '>=0.55'
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   hash:
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@@ -1271,13 +1131,13 @@ package:
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   platform: win-64
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     mdanalysis: ''
-    python: '>=3.8'
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     numba: '>=0.55'
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   platform: osx-64
   dependencies:
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+    blinker: '>=1.6.2'
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   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
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     itsdangerous: '>=2.1.2'
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   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
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     itsdangerous: '>=2.1.2'
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-  url: https://conda.anaconda.org/conda-forge/linux-64/fonttools-4.52.4-py39hd3abc70_0.conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/glib-2.80.2-hf974151_0.conda
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@@ -1892,42 +1730,12 @@ package:
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   manager: conda
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-    python: '>=3.9'
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-  url: https://conda.anaconda.org/conda-forge/linux-64/gsd-3.2.1-py39hd92a3bb_1.conda
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-  url: https://conda.anaconda.org/conda-forge/osx-64/h5py-3.11.0-nompi_py39hac72f59_101.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/gstreamer-1.24.5-h5006eae_0.conda
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/h5py-3.11.0-nompi_py39h534c8c8_101.conda
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-  url: https://conda.anaconda.org/conda-forge/win-64/h5py-3.11.0-nompi_py39h0b25466_101.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/h5py-3.11.0-nompi_py39h0b25466_102.conda
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   url: https://conda.anaconda.org/conda-forge/osx-arm64/hdf4-4.2.15-h2ee6834_7.conda
   hash:
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-- name: hdf5
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-    openssl: '>=3.3.0,<4.0a0'
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 - name: hdf5
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-    openssl: '>=3.3.0,<4.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/hdf5-1.14.3-nompi_hec07895_102.conda
+    openssl: '>=3.3.1,<4.0a0'
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     libzlib: '>=1.2.13,<2.0a0'
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-  url: https://conda.anaconda.org/conda-forge/win-64/hdf5-1.14.3-nompi_h2b43c12_102.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/hdf5-1.14.3-nompi_h2b43c12_105.conda
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+    python: '>=3.8'
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+    python: '>=3.8'
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+    python: '>=3.7'
   url: https://conda.anaconda.org/conda-forge/noarch/jinja2-3.1.4-pyhd8ed1ab_0.conda
   hash:
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+    python: '>=3.7'
   url: https://conda.anaconda.org/conda-forge/noarch/jinja2-3.1.4-pyhd8ed1ab_0.conda
   hash:
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+    python: '>=3.7'
   url: https://conda.anaconda.org/conda-forge/noarch/jinja2-3.1.4-pyhd8ed1ab_0.conda
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-  manager: conda
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     python: '>=3.8'
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+  version: 1.21.3
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+    openssl: '>=3.3.1,<4.0a0'
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+    __osx: '>=10.13'
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   manager: conda
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+    openssl: '>=3.3.1,<4.0a0'
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-  url: https://conda.anaconda.org/conda-forge/win-64/krb5-1.21.2-heb0366b_0.conda
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   dependencies: {}
-  url: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-hf3520f5_1.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-hf3520f5_7.conda
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   optional: false
 - name: libclang13
-  version: 18.1.6
+  version: 18.1.8
   manager: conda
   platform: linux-64
   dependencies:
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-    libllvm18: '>=18.1.6,<18.2.0a0'
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libclang13-18.1.6-default_h5d6823c_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libclang13-18.1.8-default_h6ae225f_0.conda
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     vc: '>=14.2,<15'
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-  url: https://conda.anaconda.org/conda-forge/win-64/libclang13-18.1.6-default_hf64faad_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/libclang13-18.1.8-default_ha5278ca_0.conda
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 - name: libcups
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     libgcc-ng: '>=12'
     libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
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@@ -3378,17 +3036,17 @@ package:
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+    openssl: '>=3.3.1,<4.0a0'
     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libcurl-8.8.0-hca28451_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libcurl-8.8.0-hca28451_1.conda
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     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-64/libcurl-8.8.0-hf9fcc65_0.conda
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 - name: libcurl
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     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/libcurl-8.8.0-h7b6f9a7_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/libcurl-8.8.0-h7b6f9a7_1.conda
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-  url: https://conda.anaconda.org/conda-forge/win-64/libcurl-8.8.0-hd5e4a3a_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/libcurl-8.8.0-hd5e4a3a_1.conda
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     _openmp_mutex: '>=4.5'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h77fa898_7.conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libgcrypt-1.10.3-hd590300_0.conda
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+  version: 14.1.0
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+  url: https://conda.anaconda.org/conda-forge/win-64/libglib-2.80.2-h7025463_1.conda
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libgomp-13.2.0-h77fa898_7.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libgomp-14.1.0-h77fa898_0.conda
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   optional: false
 - name: libgpg-error
-  version: '1.49'
+  version: '1.50'
   manager: conda
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     libgettextpo: '>=0.22.5,<1.0a0'
     libstdcxx-ng: '>=12'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libgpg-error-1.49-h4f305b6_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libgpg-error-1.50-h4f305b6_0.conda
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   category: main
   optional: false
 - name: libhwloc
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     libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
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   url: https://conda.anaconda.org/conda-forge/linux-64/libllvm14-14.0.6-hcd5def8_4.conda
   hash:
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@@ -4138,7 +3796,7 @@ package:
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   dependencies:
     libcxx: '>=15'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-64/libllvm14-14.0.6-hc8e404f_4.conda
   hash:
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@@ -4151,7 +3809,7 @@ package:
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   dependencies:
     libcxx: '>=15'
-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
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@@ -4166,7 +3824,7 @@ package:
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     libstdcxx-ng: '>=12'
     libxml2: '>=2.12.1,<3.0.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     zstd: '>=1.5.5,<1.6.0a0'
   url: https://conda.anaconda.org/conda-forge/linux-64/libllvm15-15.0.7-hb3ce162_4.conda
   hash:
@@ -4175,119 +3833,69 @@ package:
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   optional: false
 - name: libllvm18
-  version: 18.1.6
+  version: 18.1.8
   manager: conda
   platform: linux-64
   dependencies:
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     libstdcxx-ng: '>=12'
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     zstd: '>=1.5.6,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libllvm18-18.1.6-hb77312f_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libllvm18-18.1.8-hc9dba70_0.conda
   hash:
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   category: main
   optional: false
 - name: libnetcdf
   version: 4.9.2
   manager: conda
-  platform: linux-64
+  platform: osx-arm64
   dependencies:
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     blosc: '>=1.21.5,<2.0a0'
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-    openssl: '>=3.2.0,<4.0a0'
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     zlib: ''
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libnetcdf-4.9.2-nompi_h9612171_113.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/libnetcdf-4.9.2-nompi_he469be0_114.conda
   hash:
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   category: main
   optional: false
 - name: libnetcdf
   version: 4.9.2
   manager: conda
-  platform: osx-64
+  platform: win-64
   dependencies:
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     blosc: '>=1.21.5,<2.0a0'
     bzip2: '>=1.0.8,<2.0a0'
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-    libcxx: '>=16.0.6'
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-    libzlib: '>=1.2.13,<1.3.0a0'
-    openssl: '>=3.2.0,<4.0a0'
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+    vc: '>=14.2,<15'
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     zlib: ''
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-64/libnetcdf-4.9.2-nompi_h7760872_113.conda
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/win-64/libnetcdf-4.9.2-nompi_h92078aa_114.conda
   hash:
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-  category: main
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-  manager: conda
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-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/libnetcdf-4.9.2-nompi_h291a7c2_113.conda
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-  category: main
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-  manager: conda
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-    zlib: ''
-    zstd: '>=1.5.5,<1.6.0a0'
-  url: https://conda.anaconda.org/conda-forge/win-64/libnetcdf-4.9.2-nompi_h07c049d_113.conda
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   category: main
   optional: false
 - name: libnghttp2
@@ -4299,7 +3907,7 @@ package:
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     libgcc-ng: '>=12'
     libstdcxx-ng: '>=12'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     openssl: '>=3.2.0,<4.0a0'
   url: https://conda.anaconda.org/conda-forge/linux-64/libnghttp2-1.58.0-h47da74e_1.conda
   hash:
@@ -4316,7 +3924,7 @@ package:
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     libcxx: '>=16.0.6'
     libev: '>=4.33,<5.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     openssl: '>=3.2.0,<4.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-64/libnghttp2-1.58.0-h64cf6d3_1.conda
   hash:
@@ -4333,7 +3941,7 @@ package:
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     libcxx: '>=16.0.6'
     libev: '>=4.33,<5.0a0'
-    libzlib: '>=1.2.13,<1.3.0a0'
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     openssl: '>=3.2.0,<4.0a0'
   url: https://conda.anaconda.org/conda-forge/osx-arm64/libnghttp2-1.58.0-ha4dd798_1.conda
   hash:
@@ -4354,28 +3962,29 @@ package:
   category: main
   optional: false
 - name: libogg
-  version: 1.3.4
+  version: 1.3.5
   manager: conda
   platform: linux-64
   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libogg-1.3.4-h7f98852_1.tar.bz2
+    libgcc-ng: '>=12'
+  url: https://conda.anaconda.org/conda-forge/linux-64/libogg-1.3.5-h4ab18f5_0.conda
   hash:
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   category: main
   optional: false
 - name: libogg
-  version: 1.3.4
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   manager: conda
   platform: win-64
   dependencies:
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-    vs2015_runtime: '>=14.16.27012'
-  url: https://conda.anaconda.org/conda-forge/win-64/libogg-1.3.4-h8ffe710_1.tar.bz2
+    ucrt: '>=10.0.20348.0'
+    vc: '>=14.2,<15'
+    vc14_runtime: '>=14.29.30139'
+  url: https://conda.anaconda.org/conda-forge/win-64/libogg-1.3.5-h2466b09_0.conda
   hash:
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   category: main
   optional: false
 - name: libopenblas
@@ -4438,7 +4047,7 @@ package:
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   dependencies:
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-    libzlib: '>=1.2.13,<1.3.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
   url: https://conda.anaconda.org/conda-forge/linux-64/libpng-1.6.43-h2797004_0.conda
   hash:
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@@ -4450,7 +4059,7 @@ package:
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   platform: osx-64
   dependencies:
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   hash:
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@@ -4462,7 +4071,7 @@ package:
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   dependencies:
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   url: https://conda.anaconda.org/conda-forge/osx-arm64/libpng-1.6.43-h091b4b1_0.conda
   hash:
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@@ -4474,7 +4083,7 @@ package:
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@@ -4518,54 +4127,56 @@ package:
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   optional: false
 - name: libsqlite
-  version: 3.45.3
+  version: 3.46.0
   manager: conda
   platform: linux-64
   dependencies:
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-    libzlib: '>=1.2.13,<1.3.0a0'
-  url: https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.45.3-h2797004_0.conda
+    libzlib: '>=1.2.13,<2.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.46.0-hde9e2c9_0.conda
   hash:
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   optional: false
 - name: libsqlite
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   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/osx-64/libsqlite-3.45.3-h92b6c6a_0.conda
+    __osx: '>=10.13'
+    libzlib: '>=1.2.13,<2.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-64/libsqlite-3.46.0-h1b8f9f3_0.conda
   hash:
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   optional: false
 - name: libsqlite
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   dependencies:
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/libsqlite-3.45.3-h091b4b1_0.conda
+    __osx: '>=11.0'
+    libzlib: '>=1.2.13,<2.0a0'
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     vc14_runtime: '>=14.29.30139'
-  url: https://conda.anaconda.org/conda-forge/win-64/libsqlite-3.45.3-hcfcfb64_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/libsqlite-3.46.0-h2466b09_0.conda
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   category: main
   optional: false
 - name: libssh2
@@ -4574,7 +4185,7 @@ package:
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@@ -4625,14 +4236,15 @@ package:
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@@ -4683,7 +4295,7 @@ package:
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@@ -4702,7 +4314,7 @@ package:
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@@ -4719,7 +4331,7 @@ package:
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@@ -4868,62 +4480,62 @@ package:
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   manager: conda
   platform: linux-64
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     xorg-libxdmcp: ''
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   optional: false
 - name: libxcb
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+  version: '1.16'
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   dependencies:
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     m2w64-gcc-libs-core: ''
     pthread-stubs: ''
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+  url: https://conda.anaconda.org/conda-forge/win-64/libxcb-1.16-hcd874cb_0.conda
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@@ -4945,14 +4557,14 @@ package:
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     libstdcxx-ng: '>=12'
-    libxcb: '>=1.15,<1.16.0a0'
-    libxml2: '>=2.12.6,<3.0a0'
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     xorg-libxau: '>=1.0.11,<2.0a0'
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@@ -4963,12 +4575,12 @@ package:
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-    libzlib: '>=1.2.13,<2.0.0a0'
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-  url: https://conda.anaconda.org/conda-forge/linux-64/libxml2-2.12.7-hc051c1a_0.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/libxml2-2.12.7-hc051c1a_1.conda
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-  url: https://conda.anaconda.org/conda-forge/osx-64/libxml2-2.12.7-h3e169fe_0.conda
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   url: https://conda.anaconda.org/conda-forge/osx-arm64/libzip-1.10.1-ha0bc3c6_3.conda
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     vc: '>=14.2,<15'
@@ -5080,144 +4663,146 @@ package:
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@@ -5963,7 +5415,7 @@ package:
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   manager: conda
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     python: '>=3.6'
@@ -5976,82 +5428,26 @@ package:
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   manager: conda
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   url: https://conda.anaconda.org/conda-forge/noarch/mrcfile-1.5.0-pyhd8ed1ab_0.conda
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   category: main
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-- name: mrcfile
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   dependencies:
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-    numpy: '>=1.16'
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/msgpack-python-1.0.8-py39ha1e04a5_0.conda
+    __osx: '>=11.0'
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+    python_abi: 3.9.*
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-  url: https://conda.anaconda.org/conda-forge/noarch/networkx-3.2.1-pyhd8ed1ab_0.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/netcdf4-1.7.1-nompi_py39h9ffc7cd_101.conda
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-    sha256: 534824ea44939f3e59ca8ebb95e3ece6f50f9d2a0e69999fbc692311252ed6ac
-  category: main
-  optional: false
-- name: zlib
-  version: 1.2.13
-  manager: conda
-  platform: osx-64
-  dependencies:
-    __osx: '>=10.13'
-    libzlib: 1.2.13
-  url: https://conda.anaconda.org/conda-forge/osx-64/zlib-1.2.13-h87427d6_6.conda
+    libzlib: 1.3.1
+  url: https://conda.anaconda.org/conda-forge/linux-64/zlib-1.3.1-h4ab18f5_1.conda
   hash:
-    md5: 700b922d6d22e7deb5fb2964d0c8cf6a
-    sha256: 3091d48a579c08ba20885bc8856def925e9dee9d1a7d8713e3ce002eb29fcd19
+    md5: 9653f1bf3766164d0e65fa723cabbc54
+    sha256: cee16ab07a11303de721915f0a269e8c7a54a5c834aa52f74b1cc3a59000ade8
   category: main
   optional: false
 - name: zlib
-  version: 1.2.13
+  version: 1.3.1
   manager: conda
   platform: osx-arm64
   dependencies:
     __osx: '>=11.0'
-    libzlib: 1.2.13
-  url: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.2.13-hfb2fe0b_6.conda
+    libzlib: 1.3.1
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.3.1-hfb2fe0b_1.conda
   hash:
-    md5: 88cf27df3eff5813734b538461f4c8cf
-    sha256: c09c9cb6de86d87b9267a6331c74cc8fb05bae5ee7749070a5e8883c3eff5424
+    md5: f27e021db7862b6ddbc1d3578f10d883
+    sha256: 87360c2dc662916aac37cf01e53324b4f4f78db6f399220818076752b093ede5
   category: main
   optional: false
 - name: zlib
-  version: 1.2.13
+  version: 1.3.1
   manager: conda
   platform: win-64
   dependencies:
-    libzlib: 1.2.13
+    libzlib: 1.3.1
     ucrt: '>=10.0.20348.0'
     vc: '>=14.2,<15'
     vc14_runtime: '>=14.29.30139'
-  url: https://conda.anaconda.org/conda-forge/win-64/zlib-1.2.13-h2466b09_6.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/zlib-1.3.1-h2466b09_1.conda
   hash:
-    md5: 86591a585a18e35d23279b6b384eb4b9
-    sha256: 7aebf311fdb9227deddaedc33ace85bc960f5116ffb31f3ff07db380dfca0b41
+    md5: f8e0a35bf6df768ad87ed7bbbc36ab04
+    sha256: 76409556e6c7cb91991cd94d7fc853c9272c2872bd7e3573ff35eb33d6fca5be
   category: main
   optional: false
 - name: zstd

From e54e0ee5f26c3c85a14bbddb0abd4a12b886bf17 Mon Sep 17 00:00:00 2001
From: Tommy Waltmann <tomwalt@umich.edu>
Date: Mon, 1 Jul 2024 12:37:17 -0400
Subject: [PATCH 2/4] use np.prod instead of np.product

---
 freud/data.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/freud/data.py b/freud/data.py
index f75842f5b..0fb002ad8 100644
--- a/freud/data.py
+++ b/freud/data.py
@@ -79,7 +79,7 @@ def generate_system(self, num_replicas=1, scale=1, sigma_noise=0, seed=None):
                 if isinstance(n_repeats, int):
                     N = n_repeats ** dimension
                 else:
-                    N = np.product(n_repeats)
+                    N = np.prod(n_repeats)
                 indices = np.repeat(np.arange(len(uc.basis_positions)), N)
 
         Below is an example of expanding basis position properties (in this
@@ -90,7 +90,7 @@ def generate_system(self, num_replicas=1, scale=1, sigma_noise=0, seed=None):
             >>> uc = freud.data.UnitCell.bcc()
             >>> n_repeats = (10, 5, 4)
             >>> system = uc.generate_system(n_repeats)
-            >>> N = np.product(n_repeats)
+            >>> N = np.prod(n_repeats)
             >>> indices = np.repeat(np.arange(len(uc.basis_positions)), N)
             >>> # An array of types for all points
             >>> types = np.array([0, 1])[indices]

From 7d495e9665361f3f48a26d3dbe6325e0041a9a06 Mon Sep 17 00:00:00 2001
From: "Joshua A. Anderson" <joaander@umich.edu>
Date: Tue, 2 Jul 2024 12:38:13 -0400
Subject: [PATCH 3/4] Pin numpy <2 temporarily for unit tests.

---
 .github/workflows/env-files/environment.yaml  |    3 +-
 .../workflows/env-files/py310-conda-lock.yml  |  813 +++++--
 .../workflows/env-files/py311-conda-lock.yml  | 1917 +++++++++++++++--
 .../workflows/env-files/py312-conda-lock.yml  |  378 ++--
 .../workflows/env-files/py39-conda-lock.yml   | 1573 ++++++++++++--
 5 files changed, 3889 insertions(+), 795 deletions(-)

diff --git a/.github/workflows/env-files/environment.yaml b/.github/workflows/env-files/environment.yaml
index e8a1037a9..986663a89 100644
--- a/.github/workflows/env-files/environment.yaml
+++ b/.github/workflows/env-files/environment.yaml
@@ -12,7 +12,8 @@ dependencies:
   - dynasor
   - gsd
   - matplotlib
-  - numpy
+  # TODO: remove specific numpy version after mdanalysis supports numpy 2.0.
+  - numpy<2
   - pillow
   - pytest
   - rowan
diff --git a/.github/workflows/env-files/py310-conda-lock.yml b/.github/workflows/env-files/py310-conda-lock.yml
index c6e375dc5..42ee69f0e 100644
--- a/.github/workflows/env-files/py310-conda-lock.yml
+++ b/.github/workflows/env-files/py310-conda-lock.yml
@@ -13,10 +13,10 @@
 version: 1
 metadata:
   content_hash:
-    osx-arm64: 38c54365fe955d089fe998d710d714b1210ca13fb53ad9fc8af39e2f50500590
-    osx-64: ff23d49ff111898e9befa86ab76ec7468c91fec96d7c0d5cbce4ac9486cd63eb
-    linux-64: 06bc9c8cd8669b6a2cdb14f931d7c228c1ca3f67967ed107e213957519d44d8f
-    win-64: 36157fac5e57df509f4f404275879525c92935873a9c0f6b68c995225115ab39
+    osx-arm64: dec4742569e338954c826d76ba8bde41cdeb8762eaf1c3a8c27c6ac135a7139c
+    osx-64: 0c45088f46e0e6a6bb9906547c82a9f999caa34ed0f803b679dea3aeb95ae491
+    linux-64: 4908f6d7fce7911fc91ea76f8ecfc3f46a916500e8c52d4cbbc1b2a5ece7b0b4
+    win-64: 26d3e1f2beb89a4382771e3c6033e7e124993c116f47a888881acf728b1191c3
   channels:
   - url: conda-forge
     used_env_vars: []
@@ -85,11 +85,11 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    flask: ''
-    matplotlib-base: ''
     numpy: ''
-    python: '>=3.5'
     scipy: ''
+    matplotlib-base: ''
+    flask: ''
+    python: '>=3.5'
   url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
     md5: 37589866dd5875fcd7c50e4742973a2e
@@ -101,11 +101,11 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
-    flask: ''
-    matplotlib-base: ''
     numpy: ''
-    python: '>=3.5'
     scipy: ''
+    matplotlib-base: ''
+    flask: ''
+    python: '>=3.5'
   url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
     md5: 37589866dd5875fcd7c50e4742973a2e
@@ -117,11 +117,11 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    flask: ''
-    matplotlib-base: ''
     numpy: ''
-    python: '>=3.5'
     scipy: ''
+    matplotlib-base: ''
+    flask: ''
+    python: '>=3.5'
   url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
     md5: 37589866dd5875fcd7c50e4742973a2e
@@ -559,6 +559,30 @@ package:
     sha256: d872d11558ebeaeb87bcf9086e97c075a1a2dfffed2d0e97570cf197ab29e3d8
   category: main
   optional: false
+- name: cached-property
+  version: 1.5.2
+  manager: conda
+  platform: linux-64
+  dependencies:
+    cached_property: '>=1.5.2,<1.5.3.0a0'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
+  hash:
+    md5: 9b347a7ec10940d3f7941ff6c460b551
+    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
+  category: main
+  optional: false
+- name: cached-property
+  version: 1.5.2
+  manager: conda
+  platform: osx-64
+  dependencies:
+    cached_property: '>=1.5.2,<1.5.3.0a0'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
+  hash:
+    md5: 9b347a7ec10940d3f7941ff6c460b551
+    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
+  category: main
+  optional: false
 - name: cached-property
   version: 1.5.2
   manager: conda
@@ -571,6 +595,42 @@ package:
     sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
   category: main
   optional: false
+- name: cached-property
+  version: 1.5.2
+  manager: conda
+  platform: win-64
+  dependencies:
+    cached_property: '>=1.5.2,<1.5.3.0a0'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
+  hash:
+    md5: 9b347a7ec10940d3f7941ff6c460b551
+    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
+  category: main
+  optional: false
+- name: cached_property
+  version: 1.5.2
+  manager: conda
+  platform: linux-64
+  dependencies:
+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
+  hash:
+    md5: 576d629e47797577ab0f1b351297ef4a
+    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
+  category: main
+  optional: false
+- name: cached_property
+  version: 1.5.2
+  manager: conda
+  platform: osx-64
+  dependencies:
+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
+  hash:
+    md5: 576d629e47797577ab0f1b351297ef4a
+    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
+  category: main
+  optional: false
 - name: cached_property
   version: 1.5.2
   manager: conda
@@ -583,6 +643,18 @@ package:
     sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
   category: main
   optional: false
+- name: cached_property
+  version: 1.5.2
+  manager: conda
+  platform: win-64
+  dependencies:
+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
+  hash:
+    md5: 576d629e47797577ab0f1b351297ef4a
+    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
+  category: main
+  optional: false
 - name: cairo
   version: 1.18.0
   manager: conda
@@ -765,8 +837,8 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    __win: ''
     colorama: ''
+    __win: ''
     python: '>=3.8'
   url: https://conda.anaconda.org/conda-forge/noarch/click-8.1.7-win_pyh7428d3b_0.conda
   hash:
@@ -1163,13 +1235,13 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
+    pandas: ''
     ase: ''
-    importlib-metadata: <5
     mdanalysis: ''
-    numba: '>=0.55'
-    numpy: '>=1.18'
-    pandas: ''
     python: '>=3.8'
+    numpy: '>=1.18'
+    numba: '>=0.55'
+    importlib-metadata: <5
   url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
     md5: e6099aef9e3cb8b3a19499732dc3cd19
@@ -1181,13 +1253,13 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
+    pandas: ''
     ase: ''
-    importlib-metadata: <5
     mdanalysis: ''
-    numba: '>=0.55'
-    numpy: '>=1.18'
-    pandas: ''
     python: '>=3.8'
+    numpy: '>=1.18'
+    numba: '>=0.55'
+    importlib-metadata: <5
   url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
     md5: e6099aef9e3cb8b3a19499732dc3cd19
@@ -1199,13 +1271,13 @@ package:
   manager: conda
   platform: win-64
   dependencies:
+    pandas: ''
     ase: ''
-    importlib-metadata: <5
     mdanalysis: ''
-    numba: '>=0.55'
-    numpy: '>=1.18'
-    pandas: ''
     python: '>=3.8'
+    numpy: '>=1.18'
+    numba: '>=0.55'
+    importlib-metadata: <5
   url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
     md5: e6099aef9e3cb8b3a19499732dc3cd19
@@ -1273,6 +1345,30 @@ package:
     sha256: 89916c536ae5b85bb8bf0cfa27d751e274ea0911f04e4a928744735c14ef5155
   category: main
   optional: false
+- name: fasteners
+  version: 0.17.3
+  manager: conda
+  platform: linux-64
+  dependencies:
+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/fasteners-0.17.3-pyhd8ed1ab_0.tar.bz2
+  hash:
+    md5: 348e27e78a5e39090031448c72f66d5e
+    sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
+  category: main
+  optional: false
+- name: fasteners
+  version: 0.17.3
+  manager: conda
+  platform: osx-64
+  dependencies:
+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/fasteners-0.17.3-pyhd8ed1ab_0.tar.bz2
+  hash:
+    md5: 348e27e78a5e39090031448c72f66d5e
+    sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
+  category: main
+  optional: false
 - name: fasteners
   version: 0.17.3
   manager: conda
@@ -1285,6 +1381,18 @@ package:
     sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
   category: main
   optional: false
+- name: fasteners
+  version: 0.17.3
+  manager: conda
+  platform: win-64
+  dependencies:
+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/fasteners-0.17.3-pyhd8ed1ab_0.tar.bz2
+  hash:
+    md5: 348e27e78a5e39090031448c72f66d5e
+    sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
+  category: main
+  optional: false
 - name: flask
   version: 3.0.3
   manager: conda
@@ -1308,12 +1416,12 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    blinker: '>=1.6.2'
+    python: '>=3.8'
     click: '>=8.1.3'
+    jinja2: '>=3.1.2'
     importlib-metadata: '>=3.6.0'
     itsdangerous: '>=2.1.2'
-    jinja2: '>=3.1.2'
-    python: '>=3.8'
+    blinker: '>=1.6.2'
     werkzeug: '>=3.0.0'
   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
@@ -1326,12 +1434,12 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
-    blinker: '>=1.6.2'
+    python: '>=3.8'
     click: '>=8.1.3'
+    jinja2: '>=3.1.2'
     importlib-metadata: '>=3.6.0'
     itsdangerous: '>=2.1.2'
-    jinja2: '>=3.1.2'
-    python: '>=3.8'
+    blinker: '>=1.6.2'
     werkzeug: '>=3.0.0'
   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
@@ -1344,12 +1452,12 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    blinker: '>=1.6.2'
+    python: '>=3.8'
     click: '>=8.1.3'
+    jinja2: '>=3.1.2'
     importlib-metadata: '>=3.6.0'
     itsdangerous: '>=2.1.2'
-    jinja2: '>=3.1.2'
-    python: '>=3.8'
+    blinker: '>=1.6.2'
     werkzeug: '>=3.0.0'
   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
@@ -1788,10 +1896,10 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
+    scipy: ''
     mrcfile: ''
-    numpy: '>=1.21'
     python: '>=3.9'
-    scipy: ''
+    numpy: '>=1.21'
   url: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.0.2-pyhd8ed1ab_0.conda
   hash:
     md5: 801d662b318b0182c1a1c8d9925d7423
@@ -1803,10 +1911,10 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
+    scipy: ''
     mrcfile: ''
-    numpy: '>=1.21'
     python: '>=3.9'
-    scipy: ''
+    numpy: '>=1.21'
   url: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.0.2-pyhd8ed1ab_0.conda
   hash:
     md5: 801d662b318b0182c1a1c8d9925d7423
@@ -1818,10 +1926,10 @@ package:
   manager: conda
   platform: win-64
   dependencies:
+    scipy: ''
     mrcfile: ''
-    numpy: '>=1.21'
     python: '>=3.9'
-    scipy: ''
+    numpy: '>=1.21'
   url: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.0.2-pyhd8ed1ab_0.conda
   hash:
     md5: 801d662b318b0182c1a1c8d9925d7423
@@ -1973,6 +2081,40 @@ package:
     sha256: 4039dafcfec7a2c0d4c458b403ea652572ef81521bec4b6bd8df704c0cb0b032
   category: main
   optional: false
+- name: h5py
+  version: 3.11.0
+  manager: conda
+  platform: linux-64
+  dependencies:
+    cached-property: ''
+    hdf5: '>=1.14.3,<1.14.4.0a0'
+    libgcc-ng: '>=12'
+    numpy: '>=1.19,<3'
+    python: '>=3.10,<3.11.0a0'
+    python_abi: 3.10.*
+  url: https://conda.anaconda.org/conda-forge/linux-64/h5py-3.11.0-nompi_py310hf054cd7_102.conda
+  hash:
+    md5: f74f9a0a4d713f5eec89917883f4ae7e
+    sha256: 5f7a00f4c13adacde260a918153057f3fd0221e8528357bb83627a643f148a4c
+  category: main
+  optional: false
+- name: h5py
+  version: 3.11.0
+  manager: conda
+  platform: osx-64
+  dependencies:
+    __osx: '>=10.13'
+    cached-property: ''
+    hdf5: '>=1.14.3,<1.14.4.0a0'
+    numpy: '>=1.19,<3'
+    python: '>=3.10,<3.11.0a0'
+    python_abi: 3.10.*
+  url: https://conda.anaconda.org/conda-forge/osx-64/h5py-3.11.0-nompi_py310habadce9_102.conda
+  hash:
+    md5: 97a933ac14a060c966e5ce6099d49fb5
+    sha256: 16a0b488decf2ad5996d1d456deea5a6a107a4a3555b1832fbd7c86cf0a7cbde
+  category: main
+  optional: false
 - name: h5py
   version: 3.11.0
   manager: conda
@@ -1990,6 +2132,25 @@ package:
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+    python: '>=3.7'
   url: https://conda.anaconda.org/conda-forge/noarch/scikit-build-0.18.0-pyh4af843d_0.conda
   hash:
     md5: 546449e1bc6fef2d1ee2d34e67b6657a
@@ -7594,13 +7958,13 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    distro: ''
-    packaging: ''
-    python: '>=3.7'
     setuptools: ''
-    tomli: ''
+    packaging: ''
     typing-extensions: ''
+    tomli: ''
     wheel: ''
+    distro: ''
+    python: '>=3.7'
   url: https://conda.anaconda.org/conda-forge/noarch/scikit-build-0.18.0-pyh4af843d_0.conda
   hash:
     md5: 546449e1bc6fef2d1ee2d34e67b6657a
@@ -7788,8 +8152,8 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    seaborn-base: 0.13.2
     statsmodels: '>=0.12'
+    seaborn-base: 0.13.2
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-0.13.2-hd8ed1ab_2.conda
   hash:
     md5: a79d8797f62715255308d92d3a91ef2e
@@ -7801,8 +8165,8 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
-    seaborn-base: 0.13.2
     statsmodels: '>=0.12'
+    seaborn-base: 0.13.2
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-0.13.2-hd8ed1ab_2.conda
   hash:
     md5: a79d8797f62715255308d92d3a91ef2e
@@ -7814,8 +8178,8 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    seaborn-base: 0.13.2
     statsmodels: '>=0.12'
+    seaborn-base: 0.13.2
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-0.13.2-hd8ed1ab_2.conda
   hash:
     md5: a79d8797f62715255308d92d3a91ef2e
@@ -7843,11 +8207,11 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    matplotlib-base: '>=3.4,!=3.6.1'
-    numpy: '>=1.20,!=1.24.0'
-    pandas: '>=1.2'
     python: '>=3.8'
+    pandas: '>=1.2'
     scipy: '>=1.7'
+    numpy: '>=1.20,!=1.24.0'
+    matplotlib-base: '>=3.4,!=3.6.1'
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_2.conda
   hash:
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@@ -7859,11 +8223,11 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
-    matplotlib-base: '>=3.4,!=3.6.1'
-    numpy: '>=1.20,!=1.24.0'
-    pandas: '>=1.2'
     python: '>=3.8'
+    pandas: '>=1.2'
     scipy: '>=1.7'
+    numpy: '>=1.20,!=1.24.0'
+    matplotlib-base: '>=3.4,!=3.6.1'
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_2.conda
   hash:
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@@ -7875,11 +8239,11 @@ package:
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   platform: win-64
   dependencies:
-    matplotlib-base: '>=3.4,!=3.6.1'
-    numpy: '>=1.20,!=1.24.0'
-    pandas: '>=1.2'
     python: '>=3.8'
+    pandas: '>=1.2'
     scipy: '>=1.7'
+    numpy: '>=1.20,!=1.24.0'
+    matplotlib-base: '>=3.4,!=3.6.1'
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_2.conda
   hash:
     md5: b713b116feaf98acdba93ad4d7f90ca1
@@ -8169,9 +8533,9 @@ package:
   platform: osx-64
   dependencies:
     __unix: ''
-    gmpy2: '>=2.0.8'
+    python: '*'
     mpmath: '>=0.19'
-    python: '>=3.8'
+    gmpy2: '>=2.0.8'
   url: https://conda.anaconda.org/conda-forge/noarch/sympy-1.12.1-pypyh2585a3b_103.conda
   hash:
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@@ -8184,9 +8548,9 @@ package:
   platform: osx-arm64
   dependencies:
     __unix: ''
-    gmpy2: '>=2.0.8'
+    python: '*'
     mpmath: '>=0.19'
-    python: '>=3.8'
+    gmpy2: '>=2.0.8'
   url: https://conda.anaconda.org/conda-forge/noarch/sympy-1.12.1-pypyh2585a3b_103.conda
   hash:
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@@ -8198,8 +8562,8 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    mpmath: '>=0.19'
     python: '>=3.8'
+    mpmath: '>=0.19'
   url: https://conda.anaconda.org/conda-forge/noarch/sympy-1.12.1-pyh04b8f61_3.conda
   hash:
     md5: 2a2ecb906ec4efabca7e40bd36b627c8
@@ -8368,6 +8732,32 @@ package:
     sha256: 45e402941f6bed094022c5726a2ca494e6224b85180d2367fb6ddd9aea68079d
   category: main
   optional: false
+- name: tidynamics
+  version: 1.1.2
+  manager: conda
+  platform: linux-64
+  dependencies:
+    numpy: ''
+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda
+  hash:
+    md5: 65c4a41516c0de46449e9d4b18c5c8f3
+    sha256: 15dcf503b5c5968913e390405a4e05f618dc7a369c951006f802d99a2be9b27f
+  category: main
+  optional: false
+- name: tidynamics
+  version: 1.1.2
+  manager: conda
+  platform: osx-64
+  dependencies:
+    numpy: ''
+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda
+  hash:
+    md5: 65c4a41516c0de46449e9d4b18c5c8f3
+    sha256: 15dcf503b5c5968913e390405a4e05f618dc7a369c951006f802d99a2be9b27f
+  category: main
+  optional: false
 - name: tidynamics
   version: 1.1.2
   manager: conda
@@ -8381,6 +8771,19 @@ package:
     sha256: 15dcf503b5c5968913e390405a4e05f618dc7a369c951006f802d99a2be9b27f
   category: main
   optional: false
+- name: tidynamics
+  version: 1.1.2
+  manager: conda
+  platform: win-64
+  dependencies:
+    numpy: ''
+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda
+  hash:
+    md5: 65c4a41516c0de46449e9d4b18c5c8f3
+    sha256: 15dcf503b5c5968913e390405a4e05f618dc7a369c951006f802d99a2be9b27f
+  category: main
+  optional: false
 - name: tk
   version: 8.6.13
   manager: conda
@@ -8928,8 +9331,8 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    markupsafe: '>=2.1.1'
     python: '>=3.8'
+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
     md5: 2e60f5f388845027ee87fca6bee4ac23
@@ -8941,8 +9344,8 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
-    markupsafe: '>=2.1.1'
     python: '>=3.8'
+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
     md5: 2e60f5f388845027ee87fca6bee4ac23
@@ -8954,8 +9357,8 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    markupsafe: '>=2.1.1'
     python: '>=3.8'
+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
     md5: 2e60f5f388845027ee87fca6bee4ac23
diff --git a/.github/workflows/env-files/py311-conda-lock.yml b/.github/workflows/env-files/py311-conda-lock.yml
index 3589b94df..2c4e0c1fd 100644
--- a/.github/workflows/env-files/py311-conda-lock.yml
+++ b/.github/workflows/env-files/py311-conda-lock.yml
@@ -13,10 +13,10 @@
 version: 1
 metadata:
   content_hash:
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-    osx-64: 5b1e996fe9f5b0af19c709404d9a7bcf1adbd4fb9627c45243bb6c5f7c92f87e
-    linux-64: 30a52f9b086684683d3cd51e84d6faf101a5ab829ff04a49a944f0d22ce7e366
-    win-64: 8db74bbcc6e369ff74a32ac878a9790757e587698dfa932ed3b22569f2163cc3
+    osx-arm64: fb03151244bb4446aad552363839ab890aa6555980bda3548c34a65a7c1b9875
+    osx-64: 0746e053c87d4f7d2952fc8566ee521bdb6e7f2ea3043be8f5d0312076f78781
+    linux-64: afae6d0861b514950ae063d5f6228a1535f4cef5bacd52de365ec260211c2c9a
+    win-64: ab675c39d1d66d7eb38248e8e6ae9f30af8a439102cd60cedab5b5f7131ee6c5
   channels:
   - url: conda-forge
     used_env_vars: []
@@ -67,7 +67,7 @@ package:
 - name: ase
   version: 3.23.0
   manager: conda
-  platform: osx-arm64
+  platform: linux-64
   dependencies:
     flask: ''
     matplotlib-base: ''
@@ -83,13 +83,45 @@ package:
 - name: ase
   version: 3.23.0
   manager: conda
-  platform: win-64
+  platform: osx-64
   dependencies:
-    flask: ''
+    numpy: ''
+    scipy: ''
     matplotlib-base: ''
+    flask: ''
+    python: '>=3.5'
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
+  hash:
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
+  category: main
+  optional: false
+- name: ase
+  version: 3.23.0
+  manager: conda
+  platform: osx-arm64
+  dependencies:
     numpy: ''
+    scipy: ''
+    matplotlib-base: ''
+    flask: ''
     python: '>=3.5'
+  url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
+  hash:
+    md5: 37589866dd5875fcd7c50e4742973a2e
+    sha256: c8eae9d0ba9ac4b636ca188760a1fa2644d3b479c1e51b6c097994aa4bbb6a7b
+  category: main
+  optional: false
+- name: ase
+  version: 3.23.0
+  manager: conda
+  platform: win-64
+  dependencies:
+    numpy: ''
     scipy: ''
+    matplotlib-base: ''
+    flask: ''
+    python: '>=3.5'
   url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
     md5: 37589866dd5875fcd7c50e4742973a2e
@@ -108,6 +140,35 @@ package:
     sha256: 82c13b1772c21fc4a17441734de471d3aabf82b61db9b11f4a1bd04a9c4ac324
   category: main
   optional: false
+- name: biopython
+  version: '1.83'
+  manager: conda
+  platform: linux-64
+  dependencies:
+    libgcc-ng: '>=12'
+    numpy: ''
+    python: '>=3.11,<3.12.0a0'
+    python_abi: 3.11.*
+  url: https://conda.anaconda.org/conda-forge/linux-64/biopython-1.83-py311h459d7ec_0.conda
+  hash:
+    md5: 6ec8554e179c75be9105c78e3d2a3a5c
+    sha256: 9ea8e0eccbdab64c016f687188056e1458b8f3ce66ddcb3adde970a20fc141e8
+  category: main
+  optional: false
+- name: biopython
+  version: '1.83'
+  manager: conda
+  platform: osx-64
+  dependencies:
+    numpy: ''
+    python: '>=3.11,<3.12.0a0'
+    python_abi: 3.11.*
+  url: https://conda.anaconda.org/conda-forge/osx-64/biopython-1.83-py311he705e18_0.conda
+  hash:
+    md5: e16b7bd30a3560dcba1b4ddb4661c920
+    sha256: 5200609c791026ea7710880132a305f9a368f80ea84fe6a358f1bae14a8a8c4f
+  category: main
+  optional: false
 - name: biopython
   version: '1.83'
   manager: conda
@@ -139,6 +200,30 @@ package:
     sha256: 9ccdfd7cf2bc41eed3172f1d46593b8f1e07340905eb8c40451b4e050235a9e7
   category: main
   optional: false
+- name: blinker
+  version: 1.8.2
+  manager: conda
+  platform: linux-64
+  dependencies:
+    python: '>=3.8'
+  url: https://conda.anaconda.org/conda-forge/noarch/blinker-1.8.2-pyhd8ed1ab_0.conda
+  hash:
+    md5: cf85c002319c15e9721934104aaa1137
+    sha256: 8ca3cd8f78d0607df28c9f76adb9800348f8f2dc8aa49d188a995a0acdc4477d
+  category: main
+  optional: false
+- name: blinker
+  version: 1.8.2
+  manager: conda
+  platform: osx-64
+  dependencies:
+    python: '>=3.8'
+  url: https://conda.anaconda.org/conda-forge/noarch/blinker-1.8.2-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: 8ca3cd8f78d0607df28c9f76adb9800348f8f2dc8aa49d188a995a0acdc4477d
+  category: main
+  optional: false
 - name: blinker
   version: 1.8.2
   manager: conda
@@ -163,6 +248,40 @@ package:
     sha256: 8ca3cd8f78d0607df28c9f76adb9800348f8f2dc8aa49d188a995a0acdc4477d
   category: main
   optional: false
+- name: blosc
+  version: 1.21.6
+  manager: conda
+  platform: linux-64
+  dependencies:
+    libgcc-ng: '>=12'
+    libstdcxx-ng: '>=12'
+    libzlib: '>=1.3.1,<2.0a0'
+    lz4-c: '>=1.9.3,<1.10.0a0'
+    snappy: '>=1.2.0,<1.3.0a0'
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.6-hef167b5_0.conda
+  hash:
+    md5: 54fe76ab3d0189acaef95156874db7f9
+    sha256: 6cc260f9c6d32c5e728a2099a52fdd7ee69a782fff7b400d0606fcd32e0f5fd1
+  category: main
+  optional: false
+- name: blosc
+  version: 1.21.6
+  manager: conda
+  platform: osx-64
+  dependencies:
+    __osx: '>=10.13'
+    libcxx: '>=16'
+    libzlib: '>=1.3.1,<2.0a0'
+    lz4-c: '>=1.9.3,<1.10.0a0'
+    snappy: '>=1.2.0,<1.3.0a0'
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-64/blosc-1.21.6-h7d75f6d_0.conda
+  hash:
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+    sha256: 65e5f5dd3d68ed0d9d35e79d64f8141283cad2b55dcd9a04480ceea0e436aca8
+  category: main
+  optional: false
 - name: blosc
   version: 1.21.6
   manager: conda
@@ -440,6 +559,30 @@ package:
     sha256: d872d11558ebeaeb87bcf9086e97c075a1a2dfffed2d0e97570cf197ab29e3d8
   category: main
   optional: false
+- name: cached-property
+  version: 1.5.2
+  manager: conda
+  platform: linux-64
+  dependencies:
+    cached_property: '>=1.5.2,<1.5.3.0a0'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
+  hash:
+    md5: 9b347a7ec10940d3f7941ff6c460b551
+    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
+  category: main
+  optional: false
+- name: cached-property
+  version: 1.5.2
+  manager: conda
+  platform: osx-64
+  dependencies:
+    cached_property: '>=1.5.2,<1.5.3.0a0'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
+  hash:
+    md5: 9b347a7ec10940d3f7941ff6c460b551
+    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
+  category: main
+  optional: false
 - name: cached-property
   version: 1.5.2
   manager: conda
@@ -464,6 +607,30 @@ package:
     sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
   category: main
   optional: false
+- name: cached_property
+  version: 1.5.2
+  manager: conda
+  platform: linux-64
+  dependencies:
+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
+  hash:
+    md5: 576d629e47797577ab0f1b351297ef4a
+    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
+  category: main
+  optional: false
+- name: cached_property
+  version: 1.5.2
+  manager: conda
+  platform: osx-64
+  dependencies:
+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
+  hash:
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+    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
+  category: main
+  optional: false
 - name: cached_property
   version: 1.5.2
   manager: conda
@@ -564,6 +731,36 @@ package:
     sha256: f101b8f9155b79d623601214eb719747ffe1c2ad3ff6c4e600f59163bd5f4803
   category: main
   optional: false
+- name: cftime
+  version: 1.6.4
+  manager: conda
+  platform: linux-64
+  dependencies:
+    libgcc-ng: '>=12'
+    numpy: '>=1.19,<3'
+    python: '>=3.11,<3.12.0a0'
+    python_abi: 3.11.*
+  url: https://conda.anaconda.org/conda-forge/linux-64/cftime-1.6.4-py311h18e1886_0.conda
+  hash:
+    md5: 0eb1e6c7d10285ec12e01f73d1896d93
+    sha256: bc3784d8622bab058c2a76ded90559e8acf19cea2768bc2bcac5e525890647b0
+  category: main
+  optional: false
+- name: cftime
+  version: 1.6.4
+  manager: conda
+  platform: osx-64
+  dependencies:
+    __osx: '>=10.13'
+    numpy: '>=1.19,<3'
+    python: '>=3.11,<3.12.0a0'
+    python_abi: 3.11.*
+  url: https://conda.anaconda.org/conda-forge/osx-64/cftime-1.6.4-py311hce3442d_0.conda
+  hash:
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+    sha256: 2df629f269bb8c82a5c9310f37ea278ee62987a6745110b794562f21f8708956
+  category: main
+  optional: false
 - name: cftime
   version: 1.6.4
   manager: conda
@@ -596,6 +793,32 @@ package:
     sha256: 795d5127d34f78d62e42ac184f0c75d4687a032726e9784374839d99156f6355
   category: main
   optional: false
+- name: click
+  version: 8.1.7
+  manager: conda
+  platform: linux-64
+  dependencies:
+    __unix: ''
+    python: '>=3.8'
+  url: https://conda.anaconda.org/conda-forge/noarch/click-8.1.7-unix_pyh707e725_0.conda
+  hash:
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+    sha256: f0016cbab6ac4138a429e28dbcb904a90305b34b3fe41a9b89d697c90401caec
+  category: main
+  optional: false
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+  version: 8.1.7
+  manager: conda
+  platform: osx-64
+  dependencies:
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+    python: '>=3.8'
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   version: 8.1.7
   manager: conda
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   platform: win-64
   dependencies:
-    __win: ''
     colorama: ''
+    __win: ''
     python: '>=3.8'
   url: https://conda.anaconda.org/conda-forge/noarch/click-8.1.7-win_pyh7428d3b_0.conda
   hash:
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   optional: false
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-  version: 1.1.1
+  version: '2.0'
   manager: conda
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   dependencies:
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-    python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/linux-64/dynasor-1.1.1-py311hd4cff14_3.tar.bz2
+    ase: ''
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+    mdanalysis: ''
+    numba: '>=0.55'
+    numpy: '>=1.18'
+    pandas: ''
+    python: '>=3.8'
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   hash:
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   category: main
   optional: false
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-    python_abi: 3.11.*
-  url: https://conda.anaconda.org/conda-forge/osx-64/dynasor-1.1.1-py311h5547dcb_3.tar.bz2
+    pandas: ''
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+    mdanalysis: ''
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-    sha256: 5eca9396722f14f2ecc5751abc605d899bf2789c7c888ab272a3cb9acd25c7e0
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+    sha256: 5a7ee53084d269abd8425c45515a9236f47218bff2226efc5c41a898113ed4ae
   category: main
   optional: false
 - name: dynasor
@@ -1025,13 +1253,13 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
+    pandas: ''
     ase: ''
-    importlib-metadata: <5
     mdanalysis: ''
-    numba: '>=0.55'
-    numpy: '>=1.18'
-    pandas: ''
     python: '>=3.8'
+    numpy: '>=1.18'
+    numba: '>=0.55'
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   url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
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@@ -1043,13 +1271,13 @@ package:
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   platform: win-64
   dependencies:
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     ase: ''
-    importlib-metadata: <5
     mdanalysis: ''
-    numba: '>=0.55'
+    python: '>=3.8'
     numpy: '>=1.18'
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-    python: '>=3.8'
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   url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
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   category: main
   optional: false
+- name: fasteners
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+  manager: conda
+  platform: linux-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/noarch/fasteners-0.17.3-pyhd8ed1ab_0.tar.bz2
+  hash:
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+    sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
+  category: main
+  optional: false
+- name: fasteners
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+  manager: conda
+  platform: osx-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/noarch/fasteners-0.17.3-pyhd8ed1ab_0.tar.bz2
+  hash:
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+    sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
+  category: main
+  optional: false
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   version: 0.17.3
   manager: conda
@@ -1144,7 +1396,7 @@ package:
 - name: flask
   version: 3.0.3
   manager: conda
-  platform: osx-arm64
+  platform: linux-64
   dependencies:
     blinker: '>=1.6.2'
     click: '>=8.1.3'
@@ -1162,14 +1414,50 @@ package:
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   version: 3.0.3
   manager: conda
-  platform: win-64
+  platform: osx-64
   dependencies:
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+    python: '>=3.8'
     click: '>=8.1.3'
+    jinja2: '>=3.1.2'
     importlib-metadata: '>=3.6.0'
     itsdangerous: '>=2.1.2'
+    blinker: '>=1.6.2'
+    werkzeug: '>=3.0.0'
+  url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: 2fc508f656fe52cb2f9a69c9c62077934d6a81510256dbe85f95beb7d9620238
+  category: main
+  optional: false
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+  manager: conda
+  platform: osx-arm64
+  dependencies:
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+    click: '>=8.1.3'
     jinja2: '>=3.1.2'
+    importlib-metadata: '>=3.6.0'
+    itsdangerous: '>=2.1.2'
+    blinker: '>=1.6.2'
+    werkzeug: '>=3.0.0'
+  url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: 2fc508f656fe52cb2f9a69c9c62077934d6a81510256dbe85f95beb7d9620238
+  category: main
+  optional: false
+- name: flask
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+  manager: conda
+  platform: win-64
+  dependencies:
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+    click: '>=8.1.3'
+    jinja2: '>=3.1.2'
+    importlib-metadata: '>=3.6.0'
+    itsdangerous: '>=2.1.2'
+    blinker: '>=1.6.2'
     werkzeug: '>=3.0.0'
   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
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   version: 1.0.2
   manager: conda
-  platform: osx-arm64
+  platform: linux-64
   dependencies:
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     numpy: '>=1.21'
@@ -1602,12 +1890,42 @@ package:
 - name: griddataformats
   version: 1.0.2
   manager: conda
-  platform: win-64
+  platform: osx-64
   dependencies:
+    scipy: ''
     mrcfile: ''
+    python: '>=3.9'
     numpy: '>=1.21'
+  url: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.0.2-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: 8ee18ef1252f90ea82808687139505480c638c16761fcb98916e953f330fb9d4
+  category: main
+  optional: false
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+  manager: conda
+  platform: osx-arm64
+  dependencies:
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+    mrcfile: ''
     python: '>=3.9'
+    numpy: '>=1.21'
+  url: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.0.2-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: 8ee18ef1252f90ea82808687139505480c638c16761fcb98916e953f330fb9d4
+  category: main
+  optional: false
+- name: griddataformats
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+  manager: conda
+  platform: win-64
+  dependencies:
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+    mrcfile: ''
+    python: '>=3.9'
+    numpy: '>=1.21'
   url: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.0.2-pyhd8ed1ab_0.conda
   hash:
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   category: main
   optional: false
+- name: h5py
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+  manager: conda
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+    hdf5: '>=1.14.3,<1.14.4.0a0'
+    libgcc-ng: '>=12'
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+    python: '>=3.11,<3.12.0a0'
+    python_abi: 3.11.*
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+    sha256: 9414f77c76097cab574c535c086caab149e828b4df0a6a972ef5290d98d8f962
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+  manager: conda
+  platform: osx-64
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+    cached-property: ''
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+    numpy: '>=1.19,<3'
+    python: '>=3.11,<3.12.0a0'
+    python_abi: 3.11.*
+  url: https://conda.anaconda.org/conda-forge/osx-64/h5py-3.11.0-nompi_py311h4faab6c_102.conda
+  hash:
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   manager: conda
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   category: main
   optional: false
+- name: hdf4
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+  manager: conda
+  platform: linux-64
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+    libjpeg-turbo: '>=3.0.0,<4.0a0'
+    libstdcxx-ng: '>=12'
+    libzlib: '>=1.2.13,<2.0.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/hdf4-4.2.15-h2a13503_7.conda
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+  manager: conda
+  platform: osx-64
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+    libjpeg-turbo: '>=3.0.0,<4.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
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   category: main
   optional: false
+- name: hdf5
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+    libcurl: '>=8.8.0,<9.0a0'
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+    openssl: '>=3.3.1,<4.0a0'
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+    libaec: '>=1.1.3,<2.0a0'
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+    openssl: '>=3.3.1,<4.0a0'
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   category: main
   optional: false
+- name: importlib-metadata
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+  manager: conda
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+  dependencies:
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+    zipp: '>=0.5'
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   category: main
   optional: false
+- name: itsdangerous
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+  url: https://conda.anaconda.org/conda-forge/noarch/itsdangerous-2.2.0-pyhd8ed1ab_0.conda
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@@ -2054,36 +2523,88 @@ package:
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+  platform: osx-64
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-- name: joblib
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-  url: https://conda.anaconda.org/conda-forge/noarch/joblib-1.4.2-pyhd8ed1ab_0.conda
+    python: '>=3.7'
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-  url: https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.8.4-py311ha4ca890_2.conda
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+    qhull: '>=2020.2,<2020.3.0a0'
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+    qhull: '>=2020.2,<2020.3.0a0'
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   manager: conda
-  platform: osx-arm64
+  platform: linux-64
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   url: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_0.conda
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   version: 0.2.0
   manager: conda
-  platform: win-64
+  platform: osx-64
   dependencies:
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   url: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_0.conda
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   category: main
   optional: false
-- name: mdanalysis
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-    netcdf4: '>=1.0'
-    networkx: '>=2.0'
-    numpy: '>=1.23.5,<2.0a0'
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+    python: '>=3.7'
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+  platform: win-64
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+  url: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_0.conda
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+    tidynamics: '>=1.0.0'
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+  url: https://conda.anaconda.org/conda-forge/linux-64/mdanalysis-2.7.0-py311h320fe9a_1.conda
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+  url: https://conda.anaconda.org/conda-forge/osx-64/mdanalysis-2.7.0-py311hab14417_1.conda
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   category: main
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+- name: mmtf-python
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+  manager: conda
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+  dependencies:
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+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/mmtf-python-1.1.3-pyhd8ed1ab_0.tar.bz2
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+    python: '>=3.6'
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   manager: conda
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+  platform: linux-64
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     python: '>=3.6'
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   manager: conda
-  platform: win-64
+  platform: osx-64
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     numpy: '>=1.16'
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+  manager: conda
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+  dependencies:
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+    numpy: '>=1.16'
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+  manager: conda
+  platform: win-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/linux-64/msgpack-python-1.0.8-py311h52f7536_0.conda
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   category: main
   optional: false
+- name: netcdf4
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   category: main
   optional: false
+- name: networkx
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+  manager: conda
+  platform: linux-64
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+  url: https://conda.anaconda.org/conda-forge/noarch/networkx-3.3-pyhd8ed1ab_1.conda
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   category: main
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   category: main
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   category: main
   optional: false
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+    python: '>=3.6'
+    numpy: '>=1.4.0'
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@@ -6937,13 +8208,45 @@ package:
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+    scipy: '>=1.7'
     numpy: '>=1.20,!=1.24.0'
+    matplotlib-base: '>=3.4,!=3.6.1'
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   category: main
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+  manager: conda
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+  url: https://conda.anaconda.org/conda-forge/osx-64/snappy-1.2.0-h6dc393e_1.conda
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   category: main
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+    python: '*'
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+    gmpy2: '>=2.0.8'
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+    gmpy2: '>=2.0.8'
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     python: '>=3.8'
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   category: main
   optional: false
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+  url: https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.5.0-pyhc1e730c_0.conda
+  hash:
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+  manager: conda
+  platform: osx-64
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+  url: https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.5.0-pyhc1e730c_0.conda
+  hash:
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     sha256: 45e402941f6bed094022c5726a2ca494e6224b85180d2367fb6ddd9aea68079d
   category: main
   optional: false
+- name: tidynamics
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+  manager: conda
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+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: 15dcf503b5c5968913e390405a4e05f618dc7a369c951006f802d99a2be9b27f
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+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda
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     sha256: 6efb2b0eaf5063c76288d1bf1a55488e9035d86bd63380de5ed4990499ca6859
   category: main
   optional: false
+- name: tqdm
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+  manager: conda
+  platform: linux-64
+  dependencies:
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+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tqdm-4.66.4-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: 75342f40a69e434a1a23003c3e254a95dca695fb14955bc32f1819cd503964b2
+  category: main
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+- name: tqdm
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+  manager: conda
+  platform: osx-64
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+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tqdm-4.66.4-pyhd8ed1ab_0.conda
+  hash:
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+  category: main
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 - name: tqdm
   version: 4.66.4
   manager: conda
@@ -7821,7 +9263,7 @@ package:
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   manager: conda
-  platform: osx-arm64
+  platform: linux-64
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     python: '>=3.8'
@@ -7834,10 +9276,36 @@ package:
 - name: werkzeug
   version: 3.0.3
   manager: conda
-  platform: win-64
+  platform: osx-64
+  dependencies:
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+    markupsafe: '>=2.1.1'
+  url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: a77d0c67096999c35854e0480e3b978ef72ee008e295e92b0dc67116b2398661
+  category: main
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+  manager: conda
+  platform: osx-arm64
   dependencies:
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     markupsafe: '>=2.1.1'
+  url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: a77d0c67096999c35854e0480e3b978ef72ee008e295e92b0dc67116b2398661
+  category: main
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+  manager: conda
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+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
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     sha256: 54d9778f75a02723784dc63aff4126ff6e6749ba21d11a6d03c1f4775f269fe0
   category: main
   optional: false
+- name: zipp
+  version: 3.19.2
+  manager: conda
+  platform: linux-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.19.2-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: e3e9c8501f581bfdc4700b83ea283395e237ec6b9b5cbfbedb556e1da6f4fdc9
+  category: main
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+- name: zipp
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+  manager: conda
+  platform: osx-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/noarch/zipp-3.19.2-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: e3e9c8501f581bfdc4700b83ea283395e237ec6b9b5cbfbedb556e1da6f4fdc9
+  category: main
+  optional: false
 - name: zipp
   version: 3.19.2
   manager: conda
@@ -8278,6 +9770,19 @@ package:
     sha256: cee16ab07a11303de721915f0a269e8c7a54a5c834aa52f74b1cc3a59000ade8
   category: main
   optional: false
+- name: zlib
+  version: 1.3.1
+  manager: conda
+  platform: osx-64
+  dependencies:
+    __osx: '>=10.13'
+    libzlib: 1.3.1
+  url: https://conda.anaconda.org/conda-forge/osx-64/zlib-1.3.1-h87427d6_1.conda
+  hash:
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+    sha256: 41bd5fef28b2755d637e3a8ea5c84010628392fbcf80c7e3d7370aaced7ee4fe
+  category: main
+  optional: false
 - name: zlib
   version: 1.3.1
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diff --git a/.github/workflows/env-files/py312-conda-lock.yml b/.github/workflows/env-files/py312-conda-lock.yml
index f0aaa7875..8b4b9b8c0 100644
--- a/.github/workflows/env-files/py312-conda-lock.yml
+++ b/.github/workflows/env-files/py312-conda-lock.yml
@@ -13,10 +13,10 @@
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-    win-64: b329ea109525292fc0c453e921235a1cdcc4dd8412aa5fac7a7a886fc453e295
+    osx-arm64: 5c1dd47dde828e1ab036f82a67361377726bc6bbfaf5a5ce34484237e359c72a
+    osx-64: f61f54a41dc411f457567876ea36891528739b497f16d17260b34ba011102843
+    linux-64: 4d1f036e529237e967ae224e7484f494d8840cad39920bef03a97e19f1fd1b7e
+    win-64: 1fcd75528a75d47d9d5e8e9ff37ea215e5ad65caa8ed4fc9d93c68c29c7295fc
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@@ -85,11 +85,11 @@ package:
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-    matplotlib-base: ''
     numpy: ''
-    python: '>=3.5'
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+    matplotlib-base: ''
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+    python: '>=3.5'
   url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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@@ -101,11 +101,11 @@ package:
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   hash:
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@@ -117,11 +117,11 @@ package:
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   hash:
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@@ -837,8 +837,8 @@ package:
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+    __win: ''
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   hash:
@@ -1235,13 +1235,13 @@ package:
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     ase: ''
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     mdanalysis: ''
-    numba: '>=0.55'
-    numpy: '>=1.18'
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+    numpy: '>=1.18'
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   hash:
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@@ -1253,13 +1253,13 @@ package:
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     mdanalysis: ''
-    numba: '>=0.55'
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@@ -1271,13 +1271,13 @@ package:
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-    importlib-metadata: <5
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@@ -6871,10 +6875,10 @@ package:
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-  url: https://conda.anaconda.org/conda-forge/win-64/pillow-10.3.0-py312h381445a_1.conda
+  url: https://conda.anaconda.org/conda-forge/win-64/pillow-10.4.0-py312h381445a_0.conda
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-    sha256: 2bd6e58a0630fdb9a52f532ce582907babc725930e1ba784c7cd74063f28d073
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 - name: pixman
@@ -7056,10 +7060,10 @@ package:
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-    mda-xdrlib: ''
     numpy: ''
-    python: '>=3.9'
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+    mda-xdrlib: ''
+    python: '>=3.9'
   url: https://conda.anaconda.org/conda-forge/noarch/pyedr-0.8.0-pyhd8ed1ab_0.conda
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@@ -7071,10 +7075,10 @@ package:
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   dependencies:
-    mda-xdrlib: ''
     numpy: ''
-    python: '>=3.9'
     tqdm: ''
+    mda-xdrlib: ''
+    python: '>=3.9'
   url: https://conda.anaconda.org/conda-forge/noarch/pyedr-0.8.0-pyhd8ed1ab_0.conda
   hash:
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@@ -7086,10 +7090,10 @@ package:
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   dependencies:
-    mda-xdrlib: ''
     numpy: ''
-    python: '>=3.9'
     tqdm: ''
+    mda-xdrlib: ''
+    python: '>=3.9'
   url: https://conda.anaconda.org/conda-forge/noarch/pyedr-0.8.0-pyhd8ed1ab_0.conda
   hash:
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@@ -7241,13 +7245,13 @@ package:
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-    exceptiongroup: '>=1.0.0rc8'
     iniconfig: ''
-    packaging: ''
-    pluggy: <2.0,>=1.5
     python: '>=3.8'
+    exceptiongroup: '>=1.0.0rc8'
     tomli: '>=1'
+    pluggy: <2.0,>=1.5
   url: https://conda.anaconda.org/conda-forge/noarch/pytest-8.2.2-pyhd8ed1ab_0.conda
   hash:
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@@ -7259,13 +7263,13 @@ package:
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-    exceptiongroup: '>=1.0.0rc8'
     iniconfig: ''
-    packaging: ''
-    pluggy: <2.0,>=1.5
     python: '>=3.8'
+    exceptiongroup: '>=1.0.0rc8'
     tomli: '>=1'
+    pluggy: <2.0,>=1.5
   url: https://conda.anaconda.org/conda-forge/noarch/pytest-8.2.2-pyhd8ed1ab_0.conda
   hash:
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@@ -7277,13 +7281,13 @@ package:
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-    exceptiongroup: '>=1.0.0rc8'
     iniconfig: ''
-    packaging: ''
-    pluggy: <2.0,>=1.5
     python: '>=3.8'
+    exceptiongroup: '>=1.0.0rc8'
     tomli: '>=1'
+    pluggy: <2.0,>=1.5
   url: https://conda.anaconda.org/conda-forge/noarch/pytest-8.2.2-pyhd8ed1ab_0.conda
   hash:
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     sha256: 1a7d6b233f7e6e3bbcbad054c8fd51e690a67b129a899a056a5e45dd9f00cb41
   category: main
   optional: false
+- name: qhull
+  version: '2020.2'
+  manager: conda
+  platform: linux-64
+  dependencies:
+    libgcc-ng: '>=9.4.0'
+    libstdcxx-ng: '>=9.4.0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/qhull-2020.2-h4bd325d_2.tar.bz2
+  hash:
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+    sha256: e1d6e4e74486ce4844c4bbdc7198bb4d8191b70881f6415d1f4b5fd8d98f18d7
+  category: main
+  optional: false
+- name: qhull
+  version: '2020.2'
+  manager: conda
+  platform: osx-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/osx-64/qhull-2020.2-h940c156_2.tar.bz2
+  hash:
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+    sha256: a1dff011b3f314ee417a7bd626eecbc44d536b20e51884d378cfc89cc8e90a45
+  category: main
+  optional: false
+- name: qhull
+  version: '2020.2'
+  manager: conda
+  platform: osx-arm64
+  dependencies:
+    libcxx: '>=11.1.0'
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/qhull-2020.2-hc021e02_2.tar.bz2
+  hash:
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+    sha256: dc423d80d1e36c0250a796f578ac1d090b76b1a5ba9de7a2a8c90388d284224e
+  category: main
+  optional: false
+- name: qhull
+  version: '2020.2'
+  manager: conda
+  platform: win-64
+  dependencies:
+    vc: '>=14.1,<15.0a0'
+    vs2015_runtime: '>=14.16.27012'
+  url: https://conda.anaconda.org/conda-forge/win-64/qhull-2020.2-h70d2c02_2.tar.bz2
+  hash:
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+    sha256: 5905c7c397181c845949f682cba0acb7b0f78124db9f5d8196f273a4ce7f655b
+  category: main
+  optional: false
 - name: qt-main
   version: 5.15.8
   manager: conda
@@ -7814,8 +7868,8 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    numpy: '>=1.10'
     python: ''
+    numpy: '>=1.10'
   url: https://conda.anaconda.org/conda-forge/noarch/rowan-1.3.0.post1-pyh9f0ad1d_0.tar.bz2
   hash:
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@@ -7827,8 +7881,8 @@ package:
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   dependencies:
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     python: ''
+    numpy: '>=1.10'
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   hash:
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@@ -7840,8 +7894,8 @@ package:
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   platform: win-64
   dependencies:
-    numpy: '>=1.10'
     python: ''
+    numpy: '>=1.10'
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   hash:
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@@ -7871,13 +7925,13 @@ package:
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   platform: osx-64
   dependencies:
-    distro: ''
-    packaging: ''
-    python: '>=3.7'
     setuptools: ''
-    tomli: ''
+    packaging: ''
     typing-extensions: ''
+    tomli: ''
     wheel: ''
+    distro: ''
+    python: '>=3.7'
   url: https://conda.anaconda.org/conda-forge/noarch/scikit-build-0.18.0-pyh4af843d_0.conda
   hash:
     md5: 546449e1bc6fef2d1ee2d34e67b6657a
@@ -7889,13 +7943,13 @@ package:
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   platform: osx-arm64
   dependencies:
-    distro: ''
-    packaging: ''
-    python: '>=3.7'
     setuptools: ''
-    tomli: ''
+    packaging: ''
     typing-extensions: ''
+    tomli: ''
     wheel: ''
+    distro: ''
+    python: '>=3.7'
   url: https://conda.anaconda.org/conda-forge/noarch/scikit-build-0.18.0-pyh4af843d_0.conda
   hash:
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@@ -7907,13 +7961,13 @@ package:
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   platform: win-64
   dependencies:
-    distro: ''
-    packaging: ''
-    python: '>=3.7'
     setuptools: ''
-    tomli: ''
+    packaging: ''
     typing-extensions: ''
+    tomli: ''
     wheel: ''
+    distro: ''
+    python: '>=3.7'
   url: https://conda.anaconda.org/conda-forge/noarch/scikit-build-0.18.0-pyh4af843d_0.conda
   hash:
     md5: 546449e1bc6fef2d1ee2d34e67b6657a
@@ -8101,8 +8155,8 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    seaborn-base: 0.13.2
     statsmodels: '>=0.12'
+    seaborn-base: 0.13.2
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-0.13.2-hd8ed1ab_2.conda
   hash:
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@@ -8114,8 +8168,8 @@ package:
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   platform: osx-arm64
   dependencies:
-    seaborn-base: 0.13.2
     statsmodels: '>=0.12'
+    seaborn-base: 0.13.2
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-0.13.2-hd8ed1ab_2.conda
   hash:
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@@ -8127,8 +8181,8 @@ package:
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   platform: win-64
   dependencies:
-    seaborn-base: 0.13.2
     statsmodels: '>=0.12'
+    seaborn-base: 0.13.2
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   hash:
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@@ -8156,11 +8210,11 @@ package:
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   platform: osx-64
   dependencies:
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-    numpy: '>=1.20,!=1.24.0'
-    pandas: '>=1.2'
     python: '>=3.8'
+    pandas: '>=1.2'
     scipy: '>=1.7'
+    numpy: '>=1.20,!=1.24.0'
+    matplotlib-base: '>=3.4,!=3.6.1'
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_2.conda
   hash:
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@@ -8172,11 +8226,11 @@ package:
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   platform: osx-arm64
   dependencies:
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-    numpy: '>=1.20,!=1.24.0'
-    pandas: '>=1.2'
     python: '>=3.8'
+    pandas: '>=1.2'
     scipy: '>=1.7'
+    numpy: '>=1.20,!=1.24.0'
+    matplotlib-base: '>=3.4,!=3.6.1'
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_2.conda
   hash:
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@@ -8188,11 +8242,11 @@ package:
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   platform: win-64
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-    numpy: '>=1.20,!=1.24.0'
-    pandas: '>=1.2'
     python: '>=3.8'
+    pandas: '>=1.2'
     scipy: '>=1.7'
+    numpy: '>=1.20,!=1.24.0'
+    matplotlib-base: '>=3.4,!=3.6.1'
   url: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_2.conda
   hash:
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@@ -8482,9 +8536,9 @@ package:
   platform: osx-64
   dependencies:
     __unix: ''
-    gmpy2: '>=2.0.8'
+    python: '*'
     mpmath: '>=0.19'
-    python: '>=3.8'
+    gmpy2: '>=2.0.8'
   url: https://conda.anaconda.org/conda-forge/noarch/sympy-1.12.1-pypyh2585a3b_103.conda
   hash:
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@@ -8497,9 +8551,9 @@ package:
   platform: osx-arm64
   dependencies:
     __unix: ''
-    gmpy2: '>=2.0.8'
+    python: '*'
     mpmath: '>=0.19'
-    python: '>=3.8'
+    gmpy2: '>=2.0.8'
   url: https://conda.anaconda.org/conda-forge/noarch/sympy-1.12.1-pypyh2585a3b_103.conda
   hash:
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@@ -8511,8 +8565,8 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    mpmath: '>=0.19'
     python: '>=3.8'
+    mpmath: '>=0.19'
   url: https://conda.anaconda.org/conda-forge/noarch/sympy-1.12.1-pyh04b8f61_3.conda
   hash:
     md5: 2a2ecb906ec4efabca7e40bd36b627c8
@@ -9224,8 +9278,8 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    markupsafe: '>=2.1.1'
     python: '>=3.8'
+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
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@@ -9237,8 +9291,8 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
-    markupsafe: '>=2.1.1'
     python: '>=3.8'
+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
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@@ -9250,8 +9304,8 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    markupsafe: '>=2.1.1'
     python: '>=3.8'
+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
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diff --git a/.github/workflows/env-files/py39-conda-lock.yml b/.github/workflows/env-files/py39-conda-lock.yml
index 2e0c9b4c8..83ec712f1 100644
--- a/.github/workflows/env-files/py39-conda-lock.yml
+++ b/.github/workflows/env-files/py39-conda-lock.yml
@@ -13,10 +13,10 @@
 version: 1
 metadata:
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-    osx-64: c2f6e528ec88a21cb888f2b77be304c1346daf6272c6e36b15cc5f24a2b03a43
-    linux-64: 08411e8c9c2b748004829dd4d16bc8de731b5eb6ad05724da40e4f5d95729417
-    win-64: 9492902b2c7db80d8e97b38bca80997d76436044845b4f2510f6012345c81c15
+    osx-arm64: b0f556948cd2c537743233688a64d53abc8df6aec908a636e19f9d12babbba83
+    osx-64: fcb43c725411ed94843ad75f1ee48873fd4b730e3a489b130c05e467b4dfdcff
+    linux-64: 7c9041d670d4990be344b0d2501f86792efdc035a20e4c9e9d7fdd2b8ff1ee4e
+    win-64: 3ac90c4a3e2f078f1fe4375e782fddc35a1ce197f5928bac7bcf5211283a3264
   channels:
   - url: conda-forge
     used_env_vars: []
@@ -85,11 +85,11 @@ package:
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   platform: osx-64
   dependencies:
-    flask: ''
-    matplotlib-base: ''
     numpy: ''
-    python: '>=3.5'
     scipy: ''
+    matplotlib-base: ''
+    flask: ''
+    python: '>=3.5'
   url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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@@ -101,11 +101,11 @@ package:
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   platform: osx-arm64
   dependencies:
-    flask: ''
-    matplotlib-base: ''
     numpy: ''
-    python: '>=3.5'
     scipy: ''
+    matplotlib-base: ''
+    flask: ''
+    python: '>=3.5'
   url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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@@ -117,11 +117,11 @@ package:
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   platform: win-64
   dependencies:
-    flask: ''
-    matplotlib-base: ''
     numpy: ''
-    python: '>=3.5'
     scipy: ''
+    matplotlib-base: ''
+    flask: ''
+    python: '>=3.5'
   url: https://conda.anaconda.org/conda-forge/noarch/ase-3.23.0-pyhd8ed1ab_0.conda
   hash:
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@@ -140,6 +140,35 @@ package:
     sha256: 82c13b1772c21fc4a17441734de471d3aabf82b61db9b11f4a1bd04a9c4ac324
   category: main
   optional: false
+- name: biopython
+  version: '1.83'
+  manager: conda
+  platform: linux-64
+  dependencies:
+    libgcc-ng: '>=12'
+    numpy: <2.0a0
+    python: '>=3.9,<3.10.0a0'
+    python_abi: 3.9.*
+  url: https://conda.anaconda.org/conda-forge/linux-64/biopython-1.83-py39hd1e30aa_0.conda
+  hash:
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+    sha256: f110bec0f7f58147535103fd30ceb795fe2ff009a49b5ad6a95eea3efcb4d5db
+  category: main
+  optional: false
+- name: biopython
+  version: '1.83'
+  manager: conda
+  platform: osx-64
+  dependencies:
+    numpy: <2.0a0
+    python: '>=3.9,<3.10.0a0'
+    python_abi: 3.9.*
+  url: https://conda.anaconda.org/conda-forge/osx-64/biopython-1.83-py39ha09f3b3_0.conda
+  hash:
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+    sha256: cd0e51dcd249b755199a3a7611f863517b0aa4436a4fd5f604365755adeb216a
+  category: main
+  optional: false
 - name: biopython
   version: '1.83'
   manager: conda
@@ -219,6 +248,40 @@ package:
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   category: main
   optional: false
+- name: blosc
+  version: 1.21.6
+  manager: conda
+  platform: linux-64
+  dependencies:
+    libgcc-ng: '>=12'
+    libstdcxx-ng: '>=12'
+    libzlib: '>=1.3.1,<2.0a0'
+    lz4-c: '>=1.9.3,<1.10.0a0'
+    snappy: '>=1.2.0,<1.3.0a0'
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.6-hef167b5_0.conda
+  hash:
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+    sha256: 6cc260f9c6d32c5e728a2099a52fdd7ee69a782fff7b400d0606fcd32e0f5fd1
+  category: main
+  optional: false
+- name: blosc
+  version: 1.21.6
+  manager: conda
+  platform: osx-64
+  dependencies:
+    __osx: '>=10.13'
+    libcxx: '>=16'
+    libzlib: '>=1.3.1,<2.0a0'
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+    snappy: '>=1.2.0,<1.3.0a0'
+    zstd: '>=1.5.6,<1.6.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-64/blosc-1.21.6-h7d75f6d_0.conda
+  hash:
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   manager: conda
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   category: main
   optional: false
+- name: cached-property
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+  manager: conda
+  platform: linux-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
+  hash:
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+    sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
+  category: main
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+  version: 1.5.2
+  manager: conda
+  platform: osx-64
+  dependencies:
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     sha256: 561e6660f26c35d137ee150187d89767c988413c978e1b712d53f27ddf70ea17
   category: main
   optional: false
+- name: cached_property
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+  manager: conda
+  platform: linux-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
+  hash:
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+  category: main
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+- name: cached_property
+  version: 1.5.2
+  manager: conda
+  platform: osx-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
+  hash:
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+    sha256: 6dbf7a5070cc43d90a1e4c2ec0c541c69d8e30a0e25f50ce9f6e4a432e42c5d7
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   category: main
   optional: false
+- name: cftime
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+  manager: conda
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+    numpy: '>=1.19,<3'
+    python: '>=3.9,<3.10.0a0'
+    python_abi: 3.9.*
+  url: https://conda.anaconda.org/conda-forge/linux-64/cftime-1.6.4-py39hd92a3bb_0.conda
+  hash:
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+    sha256: 140b3df18f755e8eb9c516561132fd032ccec9aadaf0ddfe96468f2bc59f83ba
+  category: main
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+  manager: conda
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+    numpy: '>=1.19,<3'
+    python: '>=3.9,<3.10.0a0'
+    python_abi: 3.9.*
+  url: https://conda.anaconda.org/conda-forge/osx-64/cftime-1.6.4-py39hb943cd9_0.conda
+  hash:
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+    sha256: 4df6c123031e48ff2ae84fd30a1eba89b155a98983932ee1d8a07b86a40fe386
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   manager: conda
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   manager: conda
   platform: win-64
   dependencies:
-    __win: ''
     colorama: ''
+    __win: ''
     python: '>=3.8'
   url: https://conda.anaconda.org/conda-forge/noarch/click-8.1.7-win_pyh7428d3b_0.conda
   hash:
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   category: main
   optional: false
 - name: dynasor
-  version: '1.2'
+  version: '2.0'
   manager: conda
   platform: linux-64
   dependencies:
     ase: ''
     importlib-metadata: <5
-    libgcc-ng: '>=12'
-    numba: ''
-    numpy: ''
-    pip: ''
-    python: '>=3.9,<3.10.0a0'
-    python_abi: 3.9.*
-  url: https://conda.anaconda.org/conda-forge/linux-64/dynasor-1.2-py39h72bdee0_0.conda
+    mdanalysis: ''
+    numba: '>=0.55'
+    numpy: '>=1.18'
+    pandas: ''
+    python: '>=3.8'
+  url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
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-    sha256: d8b169f351d1a4b5aefb43c754d17638eaeea91a3074db3a20910529e3091ad0
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+    sha256: 5a7ee53084d269abd8425c45515a9236f47218bff2226efc5c41a898113ed4ae
   category: main
   optional: false
 - name: dynasor
-  version: '1.2'
+  version: '2.0'
   manager: conda
   platform: osx-64
   dependencies:
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     ase: ''
+    mdanalysis: ''
+    python: '>=3.8'
+    numpy: '>=1.18'
+    numba: '>=0.55'
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-    numba: ''
-    numpy: ''
-    pip: ''
-    python: '>=3.9,<3.10.0a0'
-    python_abi: 3.9.*
-  url: https://conda.anaconda.org/conda-forge/osx-64/dynasor-1.2-py39ha30fb19_0.conda
+  url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
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-    sha256: ffb7430f290d30db1dd827b661e488732bb0028f0792cc6aa89d497ad5e2f29f
+    md5: e6099aef9e3cb8b3a19499732dc3cd19
+    sha256: 5a7ee53084d269abd8425c45515a9236f47218bff2226efc5c41a898113ed4ae
   category: main
   optional: false
 - name: dynasor
@@ -1113,13 +1253,13 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
+    pandas: ''
     ase: ''
-    importlib-metadata: <5
     mdanalysis: ''
-    numba: '>=0.55'
-    numpy: '>=1.18'
-    pandas: ''
     python: '>=3.8'
+    numpy: '>=1.18'
+    numba: '>=0.55'
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   url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
     md5: e6099aef9e3cb8b3a19499732dc3cd19
@@ -1131,13 +1271,13 @@ package:
   manager: conda
   platform: win-64
   dependencies:
+    pandas: ''
     ase: ''
-    importlib-metadata: <5
     mdanalysis: ''
-    numba: '>=0.55'
-    numpy: '>=1.18'
-    pandas: ''
     python: '>=3.8'
+    numpy: '>=1.18'
+    numba: '>=0.55'
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   url: https://conda.anaconda.org/conda-forge/noarch/dynasor-2.0-pyhd8ed1ab_0.conda
   hash:
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     sha256: 89916c536ae5b85bb8bf0cfa27d751e274ea0911f04e4a928744735c14ef5155
   category: main
   optional: false
+- name: fasteners
+  version: 0.17.3
+  manager: conda
+  platform: linux-64
+  dependencies:
+    python: '>=3.6'
+  url: https://conda.anaconda.org/conda-forge/noarch/fasteners-0.17.3-pyhd8ed1ab_0.tar.bz2
+  hash:
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+    sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
+  category: main
+  optional: false
+- name: fasteners
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+  manager: conda
+  platform: osx-64
+  dependencies:
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+  url: https://conda.anaconda.org/conda-forge/noarch/fasteners-0.17.3-pyhd8ed1ab_0.tar.bz2
+  hash:
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+    sha256: 42be6ac8478051b26751d778490d6a71de12e5c6443e145ff3eddbc577d9bcda
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+  optional: false
 - name: fasteners
   version: 0.17.3
   manager: conda
@@ -1252,12 +1416,12 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    blinker: '>=1.6.2'
+    python: '>=3.8'
     click: '>=8.1.3'
+    jinja2: '>=3.1.2'
     importlib-metadata: '>=3.6.0'
     itsdangerous: '>=2.1.2'
-    jinja2: '>=3.1.2'
-    python: '>=3.8'
+    blinker: '>=1.6.2'
     werkzeug: '>=3.0.0'
   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
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   platform: osx-arm64
   dependencies:
-    blinker: '>=1.6.2'
+    python: '>=3.8'
     click: '>=8.1.3'
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     importlib-metadata: '>=3.6.0'
     itsdangerous: '>=2.1.2'
-    jinja2: '>=3.1.2'
-    python: '>=3.8'
+    blinker: '>=1.6.2'
     werkzeug: '>=3.0.0'
   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
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   manager: conda
   platform: win-64
   dependencies:
-    blinker: '>=1.6.2'
+    python: '>=3.8'
     click: '>=8.1.3'
+    jinja2: '>=3.1.2'
     importlib-metadata: '>=3.6.0'
     itsdangerous: '>=2.1.2'
-    jinja2: '>=3.1.2'
-    python: '>=3.8'
+    blinker: '>=1.6.2'
     werkzeug: '>=3.0.0'
   url: https://conda.anaconda.org/conda-forge/noarch/flask-3.0.3-pyhd8ed1ab_0.conda
   hash:
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   version: 1.0.2
   manager: conda
-  platform: osx-arm64
+  platform: linux-64
   dependencies:
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     numpy: '>=1.21'
@@ -1730,35 +1894,65 @@ package:
 - name: griddataformats
   version: 1.0.2
   manager: conda
-  platform: win-64
+  platform: osx-64
   dependencies:
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     mrcfile: ''
-    numpy: '>=1.21'
     python: '>=3.9'
-    scipy: ''
+    numpy: '>=1.21'
   url: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.0.2-pyhd8ed1ab_0.conda
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   category: main
   optional: false
-- name: gsd
-  version: 3.3.0
+- name: griddataformats
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   manager: conda
-  platform: linux-64
+  platform: osx-arm64
   dependencies:
-    libgcc-ng: '>=12'
-    numpy: '>=1.19,<3'
-    python: '>=3.9,<3.10.0a0'
-    python_abi: 3.9.*
-  url: https://conda.anaconda.org/conda-forge/linux-64/gsd-3.3.0-py39hd92a3bb_0.conda
+    scipy: ''
+    mrcfile: ''
+    python: '>=3.9'
+    numpy: '>=1.21'
+  url: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.0.2-pyhd8ed1ab_0.conda
   hash:
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   category: main
   optional: false
-- name: gsd
-  version: 3.3.0
+- name: griddataformats
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+  manager: conda
+  platform: win-64
+  dependencies:
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+    mrcfile: ''
+    python: '>=3.9'
+    numpy: '>=1.21'
+  url: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.0.2-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: 8ee18ef1252f90ea82808687139505480c638c16761fcb98916e953f330fb9d4
+  category: main
+  optional: false
+- name: gsd
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+  manager: conda
+  platform: linux-64
+  dependencies:
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+    numpy: '>=1.19,<3'
+    python: '>=3.9,<3.10.0a0'
+    python_abi: 3.9.*
+  url: https://conda.anaconda.org/conda-forge/linux-64/gsd-3.3.0-py39hd92a3bb_0.conda
+  hash:
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+    sha256: 82a08b0ac7c8d5c8dfc5d7f4c2e82f63691d559be5a2c5fd39fdfb855a46d3f7
+  category: main
+  optional: false
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   manager: conda
   platform: osx-64
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   category: main
   optional: false
+- name: h5py
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+  manager: conda
+  platform: linux-64
+  dependencies:
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+    hdf5: '>=1.14.3,<1.14.4.0a0'
+    libgcc-ng: '>=12'
+    numpy: '>=1.19,<3'
+    python: '>=3.9,<3.10.0a0'
+    python_abi: 3.9.*
+  url: https://conda.anaconda.org/conda-forge/linux-64/h5py-3.11.0-nompi_py39h24b94d4_102.conda
+  hash:
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+    sha256: a74ccb08415f8df4ea7071b1cd85f396c62a6482aca565b2ac4f5284952c0750
+  category: main
+  optional: false
+- name: h5py
+  version: 3.11.0
+  manager: conda
+  platform: osx-64
+  dependencies:
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+    cached-property: ''
+    hdf5: '>=1.14.3,<1.14.4.0a0'
+    numpy: '>=1.19,<3'
+    python: '>=3.9,<3.10.0a0'
+    python_abi: 3.9.*
+  url: https://conda.anaconda.org/conda-forge/osx-64/h5py-3.11.0-nompi_py39hac72f59_102.conda
+  hash:
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   manager: conda
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   category: main
   optional: false
+- name: hdf4
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+  manager: conda
+  platform: linux-64
+  dependencies:
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+    libjpeg-turbo: '>=3.0.0,<4.0a0'
+    libstdcxx-ng: '>=12'
+    libzlib: '>=1.2.13,<2.0.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/hdf4-4.2.15-h2a13503_7.conda
+  hash:
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+    sha256: 0d09b6dc1ce5c4005ae1c6a19dc10767932ef9a5e9c755cfdbb5189ac8fb0684
+  category: main
+  optional: false
+- name: hdf4
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+  manager: conda
+  platform: osx-64
+  dependencies:
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+    libjpeg-turbo: '>=3.0.0,<4.0a0'
+    libzlib: '>=1.2.13,<2.0.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-64/hdf4-4.2.15-h8138101_7.conda
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   category: main
   optional: false
+- name: hdf5
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+  manager: conda
+  platform: linux-64
+  dependencies:
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+    libcurl: '>=8.8.0,<9.0a0'
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+    libgfortran5: '>=12.3.0'
+    libstdcxx-ng: '>=12'
+    libzlib: '>=1.2.13,<2.0a0'
+    openssl: '>=3.3.1,<4.0a0'
+  url: https://conda.anaconda.org/conda-forge/linux-64/hdf5-1.14.3-nompi_hdf9ad27_105.conda
+  hash:
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+    sha256: 2278fa07da6f96e807d402cd55480624d67d2dee202191aaaf278ce5ab23605a
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+  optional: false
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+  manager: conda
+  platform: osx-64
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+    libaec: '>=1.1.3,<2.0a0'
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+    libcxx: '>=16'
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+    libzlib: '>=1.2.13,<2.0a0'
+    openssl: '>=3.3.1,<4.0a0'
+  url: https://conda.anaconda.org/conda-forge/osx-64/hdf5-1.14.3-nompi_h687a608_105.conda
+  hash:
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+  optional: false
 - name: hdf5
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   manager: conda
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   platform: osx-64
   dependencies:
-    importlib_resources: '>=6.4.0,<6.4.1.0a0'
     python: '>=3.8'
+    importlib_resources: '>=6.4.0,<6.4.1.0a0'
   url: https://conda.anaconda.org/conda-forge/noarch/importlib-resources-6.4.0-pyhd8ed1ab_0.conda
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     python: '>=3.8'
+    importlib_resources: '>=6.4.0,<6.4.1.0a0'
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   hash:
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+  platform: osx-64
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   category: main
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   category: main
   optional: false
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   category: main
   optional: false
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     python: '>=3.6'
@@ -5428,16 +5990,72 @@ package:
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   manager: conda
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+  platform: osx-64
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     numpy: '>=1.16'
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   category: main
   optional: false
+- name: netcdf4
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   category: main
   optional: false
+- name: networkx
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+  url: https://conda.anaconda.org/conda-forge/noarch/networkx-3.2.1-pyhd8ed1ab_0.conda
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 - name: numpy
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     python_abi: 3.9.*
-  url: https://conda.anaconda.org/conda-forge/linux-64/numpy-2.0.0-py39ha0965c0_0.conda
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     python_abi: 3.9.*
-  url: https://conda.anaconda.org/conda-forge/osx-64/numpy-2.0.0-py39h3fadf17_0.conda
+  url: https://conda.anaconda.org/conda-forge/osx-64/numpy-1.26.4-py39h28c39a1_0.conda
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+    pytz: '>=2020.1'
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+    python: '>=3.9,<3.10.0a0'
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+    python-tzdata: '>=2022a'
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+    pytz: '>=2020.1'
+  url: https://conda.anaconda.org/conda-forge/osx-64/pandas-2.2.2-py39hbb604f3_1.conda
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 - name: pandas
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   version: 0.5.6
   manager: conda
-  platform: osx-arm64
+  platform: linux-64
   dependencies:
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     python: '>=3.6'
@@ -6109,11 +6830,39 @@ package:
 - name: patsy
   version: 0.5.6
   manager: conda
-  platform: win-64
+  platform: osx-64
   dependencies:
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+    python: '>=3.6'
     numpy: '>=1.4.0'
+  url: https://conda.anaconda.org/conda-forge/noarch/patsy-0.5.6-pyhd8ed1ab_0.conda
+  hash:
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+    sha256: 35ad5cab1d9c08cf98576044bf28f75e62f8492afe6d1a89c94bbe93dc8d7258
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+  platform: osx-arm64
+  dependencies:
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     python: '>=3.6'
+    numpy: '>=1.4.0'
+  url: https://conda.anaconda.org/conda-forge/noarch/patsy-0.5.6-pyhd8ed1ab_0.conda
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+    sha256: 35ad5cab1d9c08cf98576044bf28f75e62f8492afe6d1a89c94bbe93dc8d7258
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+    python: '>=3.6'
+    numpy: '>=1.4.0'
   url: https://conda.anaconda.org/conda-forge/noarch/patsy-0.5.6-pyhd8ed1ab_0.conda
   hash:
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-  url: https://conda.anaconda.org/conda-forge/linux-64/pillow-10.3.0-py39h16a7006_1.conda
+  url: https://conda.anaconda.org/conda-forge/linux-64/pillow-10.4.0-py39h16a7006_0.conda
   hash:
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-  url: https://conda.anaconda.org/conda-forge/osx-64/pillow-10.3.0-py39hc3a33ae_1.conda
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   hash:
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 - name: pillow
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-  url: https://conda.anaconda.org/conda-forge/osx-arm64/pillow-10.3.0-py39h3baf582_1.conda
+  url: https://conda.anaconda.org/conda-forge/osx-arm64/pillow-10.4.0-py39h3baf582_0.conda
   hash:
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   category: main
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 - name: pillow
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-  url: https://conda.anaconda.org/conda-forge/noarch/pip-24.0-pyhd8ed1ab_0.conda
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+  optional: false
 - name: snappy
   version: 1.2.0
   manager: conda
@@ -7538,6 +8542,44 @@ package:
     sha256: de02a222071d6a832ad3b790c8c977725161ad430ec694fd7b35769b6e1104b4
   category: main
   optional: false
+- name: statsmodels
+  version: 0.14.2
+  manager: conda
+  platform: linux-64
+  dependencies:
+    libgcc-ng: '>=12'
+    numpy: '>=1.19,<3'
+    packaging: '>=21.3'
+    pandas: '>=1.4,!=2.1.0'
+    patsy: '>=0.5.6'
+    python: '>=3.9,<3.10.0a0'
+    python_abi: 3.9.*
+    scipy: '>=1.8,!=1.9.2'
+  url: https://conda.anaconda.org/conda-forge/linux-64/statsmodels-0.14.2-py39hd92a3bb_0.conda
+  hash:
+    md5: 2f6c03d60e71f13d92d511b06193f007
+    sha256: 644981a76ec3d56030980be88ba971e514578d8dc1c1d2c0ccaa1a3f5952baa1
+  category: main
+  optional: false
+- name: statsmodels
+  version: 0.14.2
+  manager: conda
+  platform: osx-64
+  dependencies:
+    __osx: '>=10.13'
+    numpy: '>=1.19,<3'
+    packaging: '>=21.3'
+    pandas: '>=1.4,!=2.1.0'
+    patsy: '>=0.5.6'
+    python: '>=3.9,<3.10.0a0'
+    python_abi: 3.9.*
+    scipy: '>=1.8,!=1.9.2'
+  url: https://conda.anaconda.org/conda-forge/osx-64/statsmodels-0.14.2-py39hb943cd9_0.conda
+  hash:
+    md5: 9442f1a7ee6725479b0fb070334ba502
+    sha256: c0a5a096ed2e0ab09b7344c9b584e14d10b63e321bf31aea059af0d44a3e7908
+  category: main
+  optional: false
 - name: statsmodels
   version: 0.14.2
   manager: conda
@@ -7599,9 +8641,9 @@ package:
   platform: osx-64
   dependencies:
     __unix: ''
-    gmpy2: '>=2.0.8'
+    python: '*'
     mpmath: '>=0.19'
-    python: '>=3.8'
+    gmpy2: '>=2.0.8'
   url: https://conda.anaconda.org/conda-forge/noarch/sympy-1.12.1-pypyh2585a3b_103.conda
   hash:
     md5: 4af9db19148140eb2ff3b2a93697063b
@@ -7614,9 +8656,9 @@ package:
   platform: osx-arm64
   dependencies:
     __unix: ''
-    gmpy2: '>=2.0.8'
+    python: '*'
     mpmath: '>=0.19'
-    python: '>=3.8'
+    gmpy2: '>=2.0.8'
   url: https://conda.anaconda.org/conda-forge/noarch/sympy-1.12.1-pypyh2585a3b_103.conda
   hash:
     md5: 4af9db19148140eb2ff3b2a93697063b
@@ -7628,8 +8670,8 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    mpmath: '>=0.19'
     python: '>=3.8'
+    mpmath: '>=0.19'
   url: https://conda.anaconda.org/conda-forge/noarch/sympy-1.12.1-pyh04b8f61_3.conda
   hash:
     md5: 2a2ecb906ec4efabca7e40bd36b627c8
@@ -7750,6 +8792,30 @@ package:
     sha256: 0dac2867318c12575eb73e65aa9babd2fff1ec37068d0cc5d3fa942873af75bc
   category: main
   optional: false
+- name: threadpoolctl
+  version: 3.5.0
+  manager: conda
+  platform: linux-64
+  dependencies:
+    python: '>=3.8'
+  url: https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.5.0-pyhc1e730c_0.conda
+  hash:
+    md5: df68d78237980a159bd7149f33c0e8fd
+    sha256: 45e402941f6bed094022c5726a2ca494e6224b85180d2367fb6ddd9aea68079d
+  category: main
+  optional: false
+- name: threadpoolctl
+  version: 3.5.0
+  manager: conda
+  platform: osx-64
+  dependencies:
+    python: '>=3.8'
+  url: https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.5.0-pyhc1e730c_0.conda
+  hash:
+    md5: df68d78237980a159bd7149f33c0e8fd
+    sha256: 45e402941f6bed094022c5726a2ca494e6224b85180d2367fb6ddd9aea68079d
+  category: main
+  optional: false
 - name: threadpoolctl
   version: 3.5.0
   manager: conda
@@ -7774,6 +8840,32 @@ package:
     sha256: 45e402941f6bed094022c5726a2ca494e6224b85180d2367fb6ddd9aea68079d
   category: main
   optional: false
+- name: tidynamics
+  version: 1.1.2
+  manager: conda
+  platform: linux-64
+  dependencies:
+    numpy: ''
+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda
+  hash:
+    md5: 65c4a41516c0de46449e9d4b18c5c8f3
+    sha256: 15dcf503b5c5968913e390405a4e05f618dc7a369c951006f802d99a2be9b27f
+  category: main
+  optional: false
+- name: tidynamics
+  version: 1.1.2
+  manager: conda
+  platform: osx-64
+  dependencies:
+    numpy: ''
+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda
+  hash:
+    md5: 65c4a41516c0de46449e9d4b18c5c8f3
+    sha256: 15dcf503b5c5968913e390405a4e05f618dc7a369c951006f802d99a2be9b27f
+  category: main
+  optional: false
 - name: tidynamics
   version: 1.1.2
   manager: conda
@@ -7981,6 +9073,32 @@ package:
     sha256: 2c375a9af90acbf8cd55b9798e4efcfb1806ad818ab9f5fd10edc052397c72a0
   category: main
   optional: false
+- name: tqdm
+  version: 4.66.4
+  manager: conda
+  platform: linux-64
+  dependencies:
+    colorama: ''
+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tqdm-4.66.4-pyhd8ed1ab_0.conda
+  hash:
+    md5: e74cd796e70a4261f86699ee0a3a7a24
+    sha256: 75342f40a69e434a1a23003c3e254a95dca695fb14955bc32f1819cd503964b2
+  category: main
+  optional: false
+- name: tqdm
+  version: 4.66.4
+  manager: conda
+  platform: osx-64
+  dependencies:
+    colorama: ''
+    python: '>=3.7'
+  url: https://conda.anaconda.org/conda-forge/noarch/tqdm-4.66.4-pyhd8ed1ab_0.conda
+  hash:
+    md5: e74cd796e70a4261f86699ee0a3a7a24
+    sha256: 75342f40a69e434a1a23003c3e254a95dca695fb14955bc32f1819cd503964b2
+  category: main
+  optional: false
 - name: tqdm
   version: 4.66.4
   manager: conda
@@ -8321,8 +9439,8 @@ package:
   manager: conda
   platform: osx-64
   dependencies:
-    markupsafe: '>=2.1.1'
     python: '>=3.8'
+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
     md5: 2e60f5f388845027ee87fca6bee4ac23
@@ -8334,8 +9452,8 @@ package:
   manager: conda
   platform: osx-arm64
   dependencies:
-    markupsafe: '>=2.1.1'
     python: '>=3.8'
+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
     md5: 2e60f5f388845027ee87fca6bee4ac23
@@ -8347,8 +9465,8 @@ package:
   manager: conda
   platform: win-64
   dependencies:
-    markupsafe: '>=2.1.1'
     python: '>=3.8'
+    markupsafe: '>=2.1.1'
   url: https://conda.anaconda.org/conda-forge/noarch/werkzeug-3.0.3-pyhd8ed1ab_0.conda
   hash:
     md5: 2e60f5f388845027ee87fca6bee4ac23
@@ -8813,6 +9931,19 @@ package:
     sha256: cee16ab07a11303de721915f0a269e8c7a54a5c834aa52f74b1cc3a59000ade8
   category: main
   optional: false
+- name: zlib
+  version: 1.3.1
+  manager: conda
+  platform: osx-64
+  dependencies:
+    __osx: '>=10.13'
+    libzlib: 1.3.1
+  url: https://conda.anaconda.org/conda-forge/osx-64/zlib-1.3.1-h87427d6_1.conda
+  hash:
+    md5: 3ac9ef8975965f9698dbedd2a4cc5894
+    sha256: 41bd5fef28b2755d637e3a8ea5c84010628392fbcf80c7e3d7370aaced7ee4fe
+  category: main
+  optional: false
 - name: zlib
   version: 1.3.1
   manager: conda

From 8f636e3815737945e45da5b9996b5f69df07c9a5 Mon Sep 17 00:00:00 2001
From: Tommy Waltmann <tomwalt@umich.edu>
Date: Tue, 2 Jul 2024 13:32:40 -0400
Subject: [PATCH 4/4] update matplotlib api call

---
 freud/diffraction.pyx | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/freud/diffraction.pyx b/freud/diffraction.pyx
index 3adc8add6..6a4acdca7 100644
--- a/freud/diffraction.pyx
+++ b/freud/diffraction.pyx
@@ -891,7 +891,7 @@ cdef class DiffractionPattern(_Compute):
             vmax = 0.7 * self.N_points
 
         norm = matplotlib.colors.LogNorm(vmin=vmin, vmax=vmax)
-        cmap = matplotlib.cm.get_cmap(cmap)
+        cmap = matplotlib.colormaps[cmap]
         image = cmap(norm(np.clip(self.diffraction, vmin, vmax)))
         return (image * 255).astype(np.uint8)