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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,362 @@ | ||
| name: base | ||
| channels: | ||
| - https://mirrors.ustc.edu.cn/anaconda/pkgs/main | ||
| - conda-forge | ||
| - https://mirrors.ustc.edu.cn/anaconda/pkgs/main/ | ||
| - https://mirrors.ustc.edu.cn/anaconda/pkgs/free/ | ||
| - defaults | ||
| dependencies: | ||
| - _libgcc_mutex=0.1=conda_forge | ||
| - _openmp_mutex=4.5=2_kmp_llvm | ||
| - alabaster=0.7.12=pyhd3eb1b0_0 | ||
| - alsa-lib=1.2.8=h166bdaf_0 | ||
| - ambertools=22.0=py38h6177452_1 | ||
| - appdirs=1.4.4=pyhd3eb1b0_0 | ||
| - argon2-cffi=21.3.0=pyhd3eb1b0_0 | ||
| - argon2-cffi-bindings=21.2.0=py38h7f8727e_0 | ||
| - arpack=3.7.0=hdefa2d7_2 | ||
| - astunparse=1.6.3=py_0 | ||
| - attr=2.5.1=h166bdaf_1 | ||
| - attrs=22.1.0=py38h06a4308_0 | ||
| - backcall=0.2.0=pyhd3eb1b0_0 | ||
| - beautifulsoup4=4.11.1=py38h06a4308_0 | ||
| - blosc=1.21.3=h6a678d5_0 | ||
| - boost-cpp=1.74.0=h75c5d50_8 | ||
| - bottleneck=1.3.5=py38h7deecbd_0 | ||
| - brotli=1.0.9=h5eee18b_7 | ||
| - brotli-bin=1.0.9=h5eee18b_7 | ||
| - brotlipy=0.7.0=py38h27cfd23_1003 | ||
| - bzip2=1.0.8=h7b6447c_0 | ||
| - c-ares=1.18.1=h7f8727e_0 | ||
| - ca-certificates=2023.01.10=h06a4308_0 | ||
| - cerberus=1.3.4=pyhd3eb1b0_0 | ||
| - certifi=2022.12.7=py38h06a4308_0 | ||
| - cffi=1.15.1=py38h5eee18b_3 | ||
| - cftime=1.5.1.1=py38hce1f21e_0 | ||
| - charset-normalizer=2.0.4=pyhd3eb1b0_0 | ||
| - clusterutils=0.3.1=pyhd8ed1ab_1 | ||
| - colorama=0.4.6=py38h06a4308_0 | ||
| - comm=0.1.2=py38h06a4308_0 | ||
| - conda=23.1.0=py38h06a4308_0 | ||
| - conda-package-handling=2.0.2=py38h06a4308_0 | ||
| - conda-package-streaming=0.7.0=py38h06a4308_0 | ||
| - contourpy=1.0.5=py38hdb19cb5_0 | ||
| - cryptography=38.0.4=py38h9ce1e76_0 | ||
| - cudatoolkit=10.2.89=h8f6ccaa_8 | ||
| - curl=7.87.0=h5eee18b_0 | ||
| - cycler=0.11.0=pyhd3eb1b0_0 | ||
| - cython=0.29.32=py38h6a678d5_0 | ||
| - dbus=1.13.18=hb2f20db_0 | ||
| - decorator=5.1.1=pyhd3eb1b0_0 | ||
| - defusedxml=0.7.1=pyhd3eb1b0_0 | ||
| - dill=0.3.6=py38h06a4308_0 | ||
| - docopt=0.6.2=py38h06a4308_1 | ||
| - docutils=0.18.1=py38h06a4308_3 | ||
| - entrypoints=0.4=py38h06a4308_0 | ||
| - expat=2.5.0=h27087fc_0 | ||
| - fftw=3.3.10=nompi_hf0379b8_106 | ||
| - flit-core=3.6.0=pyhd3eb1b0_0 | ||
| - font-ttf-dejavu-sans-mono=2.37=hd3eb1b0_0 | ||
| - font-ttf-inconsolata=2.001=hcb22688_0 | ||
| - font-ttf-source-code-pro=2.030=hd3eb1b0_0 | ||
| - font-ttf-ubuntu=0.83=h8b1ccd4_0 | ||
| - fontconfig=2.14.2=h14ed4e7_0 | ||
| - fonts-anaconda=1=h8fa9717_0 | ||
| - fonts-conda-ecosystem=1=hd3eb1b0_0 | ||
| - freetype=2.12.1=h4a9f257_0 | ||
| - gdbm=1.18=hd4cb3f1_4 | ||
| - gettext=0.21.1=h27087fc_0 | ||
| - giflib=5.2.1=h5eee18b_1 | ||
| - glib=2.74.1=h6239696_1 | ||
| - glib-tools=2.74.1=h6239696_1 | ||
| - gst-plugins-base=1.21.3=h4243ec0_1 | ||
| - gstreamer=1.21.3=h25f0c4b_1 | ||
| - gstreamer-orc=0.4.33=h166bdaf_0 | ||
| - hdf4=4.2.15=h9772cbc_5 | ||
| - hdf5=1.12.2=nompi_h2386368_101 | ||
| - icu=70.1=h27087fc_0 | ||
| - idna=3.4=py38h06a4308_0 | ||
| - imagesize=1.4.1=py38h06a4308_0 | ||
| - importlib_resources=5.2.0=pyhd3eb1b0_1 | ||
| - ipython_genutils=0.2.0=pyhd3eb1b0_1 | ||
| - jack=1.9.22=h11f4161_0 | ||
| - jax=0.3.25=py38h06a4308_0 | ||
| - jaxlib=0.3.25=py38h6a678d5_1 | ||
| - jedi=0.18.1=py38h06a4308_1 | ||
| - jinja2=3.1.2=py38h06a4308_0 | ||
| - joblib=1.1.1=py38h06a4308_0 | ||
| - jpeg=9e=h7f8727e_0 | ||
| - jupyter=1.0.0=py38_7 | ||
| - jupyter_client=7.4.8=py38h06a4308_0 | ||
| - jupyter_console=6.4.4=py38h06a4308_0 | ||
| - jupyter_core=5.1.1=py38h06a4308_0 | ||
| - jupyter_server=1.23.4=py38h06a4308_0 | ||
| - jupyterlab_pygments=0.1.2=py_0 | ||
| - jupyterlab_widgets=1.0.0=pyhd3eb1b0_1 | ||
| - kiwisolver=1.4.4=py38h6a678d5_0 | ||
| - krb5=1.19.4=h568e23c_0 | ||
| - lame=3.100=h7b6447c_0 | ||
| - lcms2=2.12=h3be6417_0 | ||
| - ld_impl_linux-64=2.38=h1181459_1 | ||
| - lerc=3.0=h295c915_0 | ||
| - libaec=1.0.6=hcb278e6_1 | ||
| - libblas=3.9.0=15_linux64_openblas | ||
| - libbrotlicommon=1.0.9=h5eee18b_7 | ||
| - libbrotlidec=1.0.9=h5eee18b_7 | ||
| - libbrotlienc=1.0.9=h5eee18b_7 | ||
| - libcap=2.66=ha37c62d_0 | ||
| - libcblas=3.9.0=15_linux64_openblas | ||
| - libclang=15.0.7=default_had23c3d_1 | ||
| - libclang13=15.0.7=default_h3e3d535_1 | ||
| - libcups=2.3.3=h3e49a29_2 | ||
| - libcurl=7.87.0=h91b91d3_0 | ||
| - libdb=6.2.32=h6a678d5_1 | ||
| - libdeflate=1.8=h7f8727e_5 | ||
| - libedit=3.1.20221030=h5eee18b_0 | ||
| - libev=4.33=h7f8727e_1 | ||
| - libevent=2.1.10=h9b69904_4 | ||
| - libffi=3.4.2=h6a678d5_6 | ||
| - libflac=1.4.2=h27087fc_0 | ||
| - libgcc-ng=12.2.0=h65d4601_19 | ||
| - libgcrypt=1.10.1=h166bdaf_0 | ||
| - libgfortran-ng=12.2.0=h69a702a_19 | ||
| - libgfortran5=12.2.0=h337968e_19 | ||
| - libglib=2.74.1=h606061b_1 | ||
| - libgomp=12.2.0=h65d4601_19 | ||
| - libgpg-error=1.46=h620e276_0 | ||
| - libiconv=1.17=h166bdaf_0 | ||
| - liblapack=3.9.0=15_linux64_openblas | ||
| - libllvm15=15.0.7=hadd5161_0 | ||
| - libnetcdf=4.8.1=nompi_h21705cb_104 | ||
| - libnghttp2=1.46.0=hce63b2e_0 | ||
| - libogg=1.3.5=h27cfd23_1 | ||
| - libopenblas=0.3.20=pthreads_h78a6416_0 | ||
| - libopus=1.3.1=h7b6447c_0 | ||
| - libpng=1.6.39=h753d276_0 | ||
| - libpq=14.5=h72a31a5_3 | ||
| - libsndfile=1.2.0=hb75c966_0 | ||
| - libsodium=1.0.18=h7b6447c_0 | ||
| - libsqlite=3.40.0=h753d276_0 | ||
| - libssh2=1.10.0=h8f2d780_0 | ||
| - libstdcxx-ng=12.2.0=h46fd767_19 | ||
| - libsystemd0=252=h2a991cd_0 | ||
| - libtiff=4.5.0=h6a678d5_1 | ||
| - libtool=2.4.7=h27087fc_0 | ||
| - libudev1=252=h166bdaf_0 | ||
| - libuuid=2.32.1=h7f98852_1000 | ||
| - libvorbis=1.3.7=h7b6447c_0 | ||
| - libwebp=1.2.4=h11a3e52_0 | ||
| - libwebp-base=1.2.4=h5eee18b_0 | ||
| - libxcb=1.13=h7f98852_1004 | ||
| - libxkbcommon=1.0.3=he3ba5ed_0 | ||
| - libxml2=2.10.3=h7463322_0 | ||
| - libxslt=1.1.37=h873f0b0_0 | ||
| - libzip=1.9.2=hc869a4a_1 | ||
| - libzlib=1.2.13=h166bdaf_4 | ||
| - llvm-openmp=14.0.6=h9e868ea_0 | ||
| - lxml=4.9.2=py38h215a2d7_0 | ||
| - lz4-c=1.9.4=h6a678d5_0 | ||
| - lzo=2.10=h7b6447c_2 | ||
| - markupsafe=2.1.1=py38h7f8727e_0 | ||
| - matplotlib-base=3.6.2=py38h945d387_0 | ||
| - mdtraj=1.9.7=py38hdee7691_4 | ||
| - mistune=0.8.4=py38h7b6447c_1000 | ||
| - mpg123=1.31.2=hcb278e6_0 | ||
| - mpi=1.0=mpich | ||
| - mpich=4.0.3=h846660c_100 | ||
| - mpiplus=v0.0.1=pyhd8ed1ab_1003 | ||
| - multiprocess=0.70.14=py38h06a4308_0 | ||
| - munkres=1.1.4=py_0 | ||
| - mysql-common=8.0.32=h14678bc_0 | ||
| - mysql-libs=8.0.32=h54cf53e_0 | ||
| - ncurses=6.4=h6a678d5_0 | ||
| - netcdf-fortran=4.5.4=nompi_hc402ea5_102 | ||
| - netcdf4=1.6.2=py38h89d13dc_0 | ||
| - nomkl=1.0=h5ca1d4c_0 | ||
| - nose=1.3.7=pyhd3eb1b0_1008 | ||
| - nspr=4.35=h27087fc_0 | ||
| - nss=3.82=he02c5a1_0 | ||
| - numexpr=2.8.3=py38h36ff5c2_101 | ||
| - numpydoc=1.5.0=py38h06a4308_0 | ||
| - ocl-icd=2.3.1=h7f98852_0 | ||
| - ocl-icd-system=1.0.0=1 | ||
| - openmm=8.0.0=py38h83c2b03_0 | ||
| - openmmtools=0.20.0=py38h497a2fe_1 | ||
| - openmoltools=0.8.8=pyhd8ed1ab_1 | ||
| - openssl=1.1.1s=h7f8727e_0 | ||
| - opt_einsum=3.3.0=pyhd3eb1b0_1 | ||
| - packmol=20.010=h86c2bf4_0 | ||
| - pandas=1.5.2=py38h417a72b_0 | ||
| - pandocfilters=1.5.0=pyhd3eb1b0_0 | ||
| - parmed=3.4.4=py38h8dc9893_0 | ||
| - parso=0.8.3=pyhd3eb1b0_0 | ||
| - pcre2=10.40=hc3806b6_0 | ||
| - pdbfixer=1.8.1=pyh6c4a22f_0 | ||
| - perl=5.34.0=h5eee18b_2 | ||
| - pexpect=4.8.0=pyhd3eb1b0_3 | ||
| - pickleshare=0.7.5=pyhd3eb1b0_1003 | ||
| - pip=22.3.1=py38h06a4308_0 | ||
| - pkgutil-resolve-name=1.3.10=py38h06a4308_0 | ||
| - platformdirs=2.5.2=py38h06a4308_0 | ||
| - pluggy=1.0.0=py38h06a4308_1 | ||
| - ply=3.11=py38_0 | ||
| - pooch=1.4.0=pyhd3eb1b0_0 | ||
| - prometheus_client=0.14.1=py38h06a4308_0 | ||
| - prompt_toolkit=3.0.36=hd3eb1b0_0 | ||
| - pthread-stubs=0.3=h0ce48e5_1 | ||
| - ptyprocess=0.7.0=pyhd3eb1b0_2 | ||
| - pulseaudio=16.1=h4ab2085_1 | ||
| - pure_eval=0.2.2=pyhd3eb1b0_0 | ||
| - pycosat=0.6.4=py38h5eee18b_0 | ||
| - pycparser=2.21=pyhd3eb1b0_0 | ||
| - pyopenssl=22.0.0=pyhd3eb1b0_0 | ||
| - pyparsing=3.0.9=py38h06a4308_0 | ||
| - pyqt=5.15.7=py38ha0d8c90_3 | ||
| - pyqt5-sip=12.11.0=py38h8dc9893_3 | ||
| - pysocks=1.7.1=py38h06a4308_0 | ||
| - pytables=3.7.0=py38hf134f34_3 | ||
| - python=3.8.16=h7a1cb2a_2 | ||
| - python-dateutil=2.8.2=pyhd3eb1b0_0 | ||
| - python-fastjsonschema=2.16.2=py38h06a4308_0 | ||
| - python_abi=3.8=2_cp38 | ||
| - pyyaml=6.0=py38h5eee18b_1 | ||
| - pyzmq=23.2.0=py38h6a678d5_0 | ||
| - qt-main=5.15.6=h7acdfc8_2 | ||
| - qtconsole=5.4.0=py38h06a4308_0 | ||
| - qtpy=2.2.0=py38h06a4308_0 | ||
| - readline=8.2=h5eee18b_0 | ||
| - requests=2.28.1=py38h06a4308_0 | ||
| - ruamel.yaml=0.17.21=py38h5eee18b_0 | ||
| - ruamel.yaml.clib=0.2.6=py38h5eee18b_1 | ||
| - scikit-learn=1.2.0=py38h6a678d5_0 | ||
| - scipy=1.10.0=py38h10c12cc_2 | ||
| - seaborn=0.12.2=py38h06a4308_0 | ||
| - send2trash=1.8.0=pyhd3eb1b0_1 | ||
| - setuptools=65.6.3=py38h06a4308_0 | ||
| - sip=6.7.7=py38h8dc9893_0 | ||
| - six=1.16.0=pyhd3eb1b0_1 | ||
| - snappy=1.1.9=h295c915_0 | ||
| - sniffio=1.2.0=py38h06a4308_1 | ||
| - snowballstemmer=2.2.0=pyhd3eb1b0_0 | ||
| - soupsieve=2.3.2.post1=py38h06a4308_0 | ||
| - sphinx=5.0.2=py38h06a4308_0 | ||
| - sphinxcontrib-applehelp=1.0.2=pyhd3eb1b0_0 | ||
| - sphinxcontrib-devhelp=1.0.2=pyhd3eb1b0_0 | ||
| - sphinxcontrib-htmlhelp=2.0.0=pyhd3eb1b0_0 | ||
| - sphinxcontrib-jsmath=1.0.1=pyhd3eb1b0_0 | ||
| - sphinxcontrib-qthelp=1.0.3=pyhd3eb1b0_0 | ||
| - sphinxcontrib-serializinghtml=1.1.5=pyhd3eb1b0_0 | ||
| - sqlite=3.40.1=h5082296_0 | ||
| - stack_data=0.2.0=pyhd3eb1b0_0 | ||
| - threadpoolctl=2.2.0=pyh0d69192_0 | ||
| - ties_md=1.4.1=pyhd8ed1ab_0 | ||
| - tk=8.6.12=h1ccaba5_0 | ||
| - toml=0.10.2=pyhd3eb1b0_0 | ||
| - toolz=0.12.0=py38h06a4308_0 | ||
| - tornado=6.2=py38h5eee18b_0 | ||
| - tqdm=4.64.1=py38h06a4308_0 | ||
| - typing-extensions=4.4.0=py38h06a4308_0 | ||
| - typing_extensions=4.4.0=py38h06a4308_0 | ||
| - urllib3=1.26.14=py38h06a4308_0 | ||
| - wcwidth=0.2.5=pyhd3eb1b0_0 | ||
| - wheel=0.37.1=pyhd3eb1b0_0 | ||
| - xcb-util=0.4.0=h166bdaf_0 | ||
| - xcb-util-image=0.4.0=h166bdaf_0 | ||
| - xcb-util-keysyms=0.4.0=h166bdaf_0 | ||
| - xcb-util-renderutil=0.3.9=h166bdaf_0 | ||
| - xcb-util-wm=0.4.1=h166bdaf_0 | ||
| - xorg-kbproto=1.0.7=h7f98852_1002 | ||
| - xorg-libice=1.0.10=h7f98852_0 | ||
| - xorg-libsm=1.2.3=hd9c2040_1000 | ||
| - xorg-libx11=1.7.2=h7f98852_0 | ||
| - xorg-libxau=1.0.9=h7f98852_0 | ||
| - xorg-libxdmcp=1.1.3=h7f98852_0 | ||
| - xorg-libxext=1.3.4=h7f98852_1 | ||
| - xorg-libxt=1.2.1=h7f98852_2 | ||
| - xorg-xextproto=7.3.0=h7f98852_1002 | ||
| - xorg-xproto=7.0.31=h27cfd23_1007 | ||
| - xz=5.2.10=h5eee18b_1 | ||
| - yaml=0.2.5=h7b6447c_0 | ||
| - yank=0.25.2=pyhd8ed1ab_0 | ||
| - zeromq=4.3.4=h2531618_0 | ||
| - zlib=1.2.13=h166bdaf_4 | ||
| - zstandard=0.18.0=py38h5eee18b_0 | ||
| - zstd=1.5.2=ha4553b6_0 | ||
| - pip: | ||
| - absl-py==1.2.0 | ||
| - amberlite==22.0 | ||
| - amberutils==21.0 | ||
| - anyio==3.6.1 | ||
| - asttokens==2.0.7 | ||
| - babel==2.10.3 | ||
| - bleach==5.0.1 | ||
| - cachetools==5.2.0 | ||
| - debugpy==1.6.2 | ||
| - dimod==0.12.3 | ||
| - dwave-networkx==0.8.12 | ||
| - executing==0.9.1 | ||
| - fastjsonschema==2.16.1 | ||
| - fonttools==4.34.4 | ||
| - google-auth==2.10.0 | ||
| - google-auth-oauthlib==0.4.6 | ||
| - grpcio==1.47.0 | ||
| - importlib-metadata==4.12.0 | ||
| - importlib-resources==5.9.0 | ||
| - ipykernel==6.15.1 | ||
| - ipython==8.4.0 | ||
| - ipywidgets==7.7.1 | ||
| - json5==0.9.9 | ||
| - jsonschema==4.9.1 | ||
| - jupyter-client==7.3.4 | ||
| - jupyter-core==4.11.1 | ||
| - jupyter-server==1.18.1 | ||
| - jupyterlab==3.4.4 | ||
| - jupyterlab-language-pack-zh-cn==3.4.post3 | ||
| - jupyterlab-server==2.15.0 | ||
| - jupyterlab-widgets==1.1.1 | ||
| - markdown==3.4.1 | ||
| - matplotlib==3.5.2 | ||
| - matplotlib-inline==0.1.3 | ||
| - mmpbsa-py==16.0 | ||
| - nbclassic==0.4.3 | ||
| - nbclient==0.6.6 | ||
| - nbconvert==6.5.0 | ||
| - nbformat==5.4.0 | ||
| - nest-asyncio==1.5.5 | ||
| - networkx==2.8.8 | ||
| - notebook==6.4.12 | ||
| - notebook-shim==0.1.0 | ||
| - numpy==1.23.1 | ||
| - oauthlib==3.2.0 | ||
| - packaging==21.3 | ||
| - packmol-memgen==1.2.3rc0 | ||
| - pdb4amber==22.0 | ||
| - pillow==9.2.0 | ||
| - prompt-toolkit==3.0.30 | ||
| - protobuf==3.19.4 | ||
| - psutil==5.9.1 | ||
| - pyasn1==0.4.8 | ||
| - pyasn1-modules==0.2.8 | ||
| - pygments==2.12.0 | ||
| - pymbar==3.0.3 | ||
| - pyrsistent==0.18.1 | ||
| - pytraj==2.0.6 | ||
| - pytz==2022.1 | ||
| - requests-oauthlib==1.3.1 | ||
| - rsa==4.9 | ||
| - sander==22.0 | ||
| - stack-data==0.3.0 | ||
| - tabulate==0.8.10 | ||
| - tensorboard==2.9.1 | ||
| - tensorboard-data-server==0.6.1 | ||
| - tensorboard-plugin-wit==1.8.1 | ||
| - terminado==0.15.0 | ||
| - ties==20.10 | ||
| - tinycss2==1.1.1 | ||
| - traitlets==5.3.0 | ||
| - webencodings==0.5.1 | ||
| - websocket-client==1.3.3 | ||
| - werkzeug==2.2.2 | ||
| - widgetsnbextension==3.6.1 | ||
| - zipp==3.8.1 | ||
| prefix: /root/miniconda3 |