Merge pull request #50 from scipp/new-sciline-release

Compatibility with new sciline

docs/user-guide/amor/amor-reduction.ipynb

@@ -147,19 +147,20 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "workflow[Filename[SampleRun]] = amor.data.amor_sample_run(608)\n",
-    "workflow[SampleRotation[SampleRun]] = sc.scalar(0.85, unit='deg')\n",
-    "ioq8 = workflow.compute(NormalizedIofQ).hist()\n",
-    "\n",
-    "workflow[Filename[SampleRun]] = amor.data.amor_sample_run(609)\n",
-    "workflow[SampleRotation[SampleRun]] = sc.scalar(2.25, unit='deg')\n",
-    "ioq9 = workflow.compute(NormalizedIofQ).hist()\n",
+    "runs = {\n",
+    "    '608': sc.scalar(0.85, unit='deg'),\n",
+    "    '609': sc.scalar(2.25, unit='deg'),\n",
+    "    '610': sc.scalar(3.65, unit='deg'),\n",
+    "    '611': sc.scalar(5.05, unit='deg'),\n",
+    "}\n",
     "\n",
-    "workflow[Filename[SampleRun]] = amor.data.amor_sample_run(610)\n",
-    "workflow[SampleRotation[SampleRun]] = sc.scalar(3.65, unit='deg')\n",
-    "ioq10 = workflow.compute(NormalizedIofQ).hist()\n",
+    "results = {}\n",
+    "for file, angle in runs.items():\n",
+    "    workflow[Filename[SampleRun]] = amor.data.amor_sample_run(file)\n",
+    "    workflow[SampleRotation[SampleRun]] = angle\n",
+    "    results[file] = workflow.compute(NormalizedIofQ).hist()\n",
     "\n",
-    "sc.plot({'608': ioq8, '609': ioq9, '610': ioq10}, norm='log', vmin=1e-4)"
+    "sc.plot(results, norm='log', vmin=1e-4)"
    ]
   },
   {
@@ -353,7 +354,8 @@
    "mimetype": "text/x-python",
    "name": "python",
    "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3"
+   "pygments_lexer": "ipython3",
+   "version": "3.10.13"
   }
  },
  "nbformat": 4,

pyproject.toml

@@ -36,7 +36,7 @@ dependencies = [
   "plopp",
   "pythreejs",
   "orsopy",
-  "sciline>=23.9.1",
+  "sciline>=24.6.0",
   "scipp>=23.8.0",
   "scippneutron>=23.9.0",
   "essreduce",

requirements/base.in

@@ -8,7 +8,7 @@ graphviz
 plopp
 pythreejs
 orsopy
-sciline>=23.9.1
+sciline>=24.6.0
 scipp>=23.8.0
 scippneutron>=23.9.0
 essreduce

requirements/base.txt

@@ -1,4 +1,4 @@
-# SHA1:1b431955cc8f1e9144b3b02f13d86b0693935140
+# SHA1:e11d135cfcc0ae8694f1a9061a0aaea415f470f2
 #
 # This file is autogenerated by pip-compile-multi
 # To update, run:
@@ -19,9 +19,11 @@ comm==0.2.2
     # via ipywidgets
 contourpy==1.2.1
     # via matplotlib
+cyclebane==24.6.0
+    # via sciline
 cycler==0.12.1
     # via matplotlib
-dask==2024.5.2
+dask==2024.6.0
     # via -r base.in
 decorator==5.1.1
     # via ipython
@@ -65,7 +67,9 @@ matplotlib==3.9.0
     # via plopp
 matplotlib-inline==0.1.7
     # via ipython
-numpy==1.26.4
+networkx==3.3
+    # via cyclebane
+numpy==2.0.0
     # via
     #   contourpy
     #   h5py
@@ -92,7 +96,7 @@ pillow==10.3.0
     # via matplotlib
 platformdirs==4.2.2
     # via pooch
-plopp==24.5.0
+plopp==24.6.0
     # via
     #   -r base.in
     #   scippneutron
@@ -121,7 +125,7 @@ pyyaml==6.0.1
     #   orsopy
 requests==2.32.3
     # via pooch
-sciline==24.4.1
+sciline==24.6.0
     # via -r base.in
 scipp==24.5.1
     # via
@@ -131,7 +135,7 @@ scipp==24.5.1
     #   scippnexus
 scippneutron==24.5.0
     # via -r base.in
-scippnexus==24.3.1
+scippnexus==24.6.0
     # via
     #   essreduce
     #   scippneutron
@@ -161,7 +165,7 @@ traittypes==0.2.1
     # via ipydatawidgets
 typing-extensions==4.12.2
     # via ipython
-urllib3==2.2.1
+urllib3==2.2.2
     # via requests
 wcwidth==0.2.13
     # via prompt-toolkit

requirements/ci.txt

@@ -17,7 +17,7 @@ colorama==0.4.6
     # via tox
 distlib==0.3.8
     # via virtualenv
-filelock==3.14.0
+filelock==3.15.1
     # via
     #   tox
     #   virtualenv
@@ -50,7 +50,7 @@ tomli==2.0.1
     #   tox
 tox==4.15.1
     # via -r ci.in
-urllib3==2.2.1
+urllib3==2.2.2
     # via requests
 virtualenv==20.26.2
     # via tox

requirements/dev.txt

@@ -48,7 +48,7 @@ jinja2-ansible-filters==1.3.2
     # via copier
 json5==0.9.25
     # via jupyterlab-server
-jsonpointer==2.4
+jsonpointer==3.0.0
     # via jsonschema
 jsonschema[format-nongpl]==4.22.0
     # via
@@ -87,7 +87,7 @@ prometheus-client==0.20.0
     # via jupyter-server
 pycparser==2.22
     # via cffi
-pydantic==2.7.3
+pydantic==2.7.4
     # via copier
 pydantic-core==2.18.4
     # via pydantic

requirements/docs.txt

@@ -34,7 +34,7 @@ docutils==0.21.2
     #   nbsphinx
     #   pydata-sphinx-theme
     #   sphinx
-fastjsonschema==2.19.1
+fastjsonschema==2.20.0
     # via nbformat
 imagesize==1.4.1
     # via sphinx

requirements/nightly.txt

@@ -24,7 +24,7 @@ cyclebane==24.6.0
     # via sciline
 cycler==0.12.1
     # via matplotlib
-dask==2024.5.2
+dask==2024.6.0
     # via -r nightly.in
 decorator==5.1.1
     # via ipython
@@ -63,17 +63,22 @@ kiwisolver==1.4.5
 locket==1.0.0
     # via partd
 matplotlib==3.9.0
-    # via plopp
+    # via
+    #   mpltoolbox
+    #   plopp
 matplotlib-inline==0.1.7
     # via ipython
+mpltoolbox==24.5.1
+    # via scippneutron
 networkx==3.3
     # via cyclebane
-numpy==1.26.4
+numpy==2.0.0
     # via
     #   contourpy
     #   h5py
     #   ipydatawidgets
     #   matplotlib
+    #   mpltoolbox
     #   pythreejs
     #   scipp
     #   scippneutron
@@ -160,7 +165,7 @@ traittypes==0.2.1
     # via ipydatawidgets
 typing-extensions==4.12.2
     # via ipython
-urllib3==2.2.1
+urllib3==2.2.2
     # via requests
 wcwidth==0.2.13
     # via prompt-toolkit

requirements/static.txt

@@ -9,7 +9,7 @@ cfgv==3.4.0
     # via pre-commit
 distlib==0.3.8
     # via virtualenv
-filelock==3.14.0
+filelock==3.15.1
     # via virtualenv
 identify==2.5.36
     # via pre-commit

src/ess/reflectometry/orso.py

@@ -10,7 +10,7 @@
 import os
 import platform
 from datetime import datetime, timezone
-from typing import Any, NewType, Optional
+from typing import Any, NewType
 
 from dateutil.parser import parse as parse_datetime
 from orsopy.fileio import base as orso_base
@@ -109,8 +109,8 @@ def parse_orso_sample(filename: Filename[SampleRun]) -> OrsoSample:
 
 def build_orso_measurement(
     sample_filename: Filename[SampleRun],
-    reference_filename: Optional[Filename[ReferenceRun]],
-    instrument: Optional[OrsoInstrument],
+    reference_filename: Filename[ReferenceRun],
+    instrument: OrsoInstrument,
 ) -> OrsoMeasurement:
     """Assemble ORSO measurement metadata."""
     # TODO populate timestamp
@@ -133,7 +133,7 @@ def build_orso_measurement(
     )
 
 
-def build_orso_reduction(creator: Optional[OrsoCreator]) -> OrsoReduction:
+def build_orso_reduction(creator: OrsoCreator) -> OrsoReduction:
     """Construct ORSO reduction metadata.
 
     This assumes that ess.reflectometry is the primary piece of software
@@ -157,10 +157,10 @@ def build_orso_reduction(creator: Optional[OrsoCreator]) -> OrsoReduction:
 
 
 def build_orso_data_source(
-    owner: Optional[OrsoOwner],
-    sample: Optional[OrsoSample],
-    experiment: Optional[OrsoExperiment],
-    measurement: Optional[OrsoMeasurement],
+    owner: OrsoOwner,
+    sample: OrsoSample,
+    experiment: OrsoExperiment,
+    measurement: OrsoMeasurement,
 ) -> OrsoDataSource:
     """Assemble an ORSO DataSource."""
     return OrsoDataSource(

tests/orso_test.py

@@ -7,14 +7,18 @@
 
 from ess import amor, reflectometry
 from ess.reflectometry import orso
-from ess.reflectometry.types import Filename, SampleRun
+from ess.reflectometry.types import Filename, ReferenceRun, SampleRun
 
 
 def test_build_orso_data_source():
     pipeline = sciline.Pipeline(
         (*amor.load.providers, *orso.providers),
-        params={Filename[SampleRun]: amor.data.amor_old_sample_run()},
+        params={
+            Filename[SampleRun]: amor.data.amor_old_sample_run(),
+            Filename[ReferenceRun]: amor.data.amor_old_reference_run(),
+        },
     )
+    pipeline[orso.OrsoInstrument] = None
     data_source = pipeline.compute(orso.OrsoDataSource)
     expected = fileio.data_source.DataSource(
         owner=fileio.base.Person(
@@ -31,21 +35,13 @@ def test_build_orso_data_source():
         measurement=fileio.data_source.Measurement(
             data_files=[fileio.base.File(file="sample.nxs")],
             # We would need the full pipeline to determine this:
-            additional_files=[],
+            additional_files=[fileio.File("reference.nxs", comment="supermirror")],
             instrument_settings=None,
         ),
     )
     assert data_source == expected
 
 
-def test_build_orso_reduction_without_creator():
-    pipeline = sciline.Pipeline(orso.providers)
-    reduction = pipeline.compute(orso.OrsoReduction)
-    assert reduction.software.name == "ess.reflectometry"
-    assert reduction.software.version == str(reflectometry.__version__)
-    assert reduction.creator is None
-
-
 def test_build_orso_reduction_with_creator():
     creator = fileio.base.Person(
         name="Erika Mustermann", affiliation="ESS", contact="[email protected]"