update copier

.copier-answers.yml

@@ -1,5 +1,5 @@
 # Changes here will be overwritten by Copier; NEVER EDIT MANUALLY
-_commit: d9ab46a
+_commit: 9cf97d4
 _src_path: gh:scipp/copier_template
 description: Reflectometry data reduction for the European Spallation Source
 max_python: '3.12'

.github/workflows/nightly_at_main.yml

@@ -6,7 +6,7 @@ name: Nightly test at main branch
 on:
   workflow_dispatch:
   schedule:
-    - cron: '30 23 * * *'
+    - cron: '30 1 * * 1-5'
 
 jobs:
   setup:

.github/workflows/nightly_at_release.yml

@@ -6,7 +6,7 @@ name: Nightly tests at latest release
 on:
   workflow_dispatch:
   schedule:
-    - cron: '0 23 * * *'
+    - cron: '0 1 * * 1-5'
 
 jobs:
   setup:

.github/workflows/unpinned.yml

@@ -0,0 +1,43 @@
+# SPDX-License-Identifier: BSD-3-Clause
+# Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
+
+name: Unpinned tests at latest release
+
+on:
+  workflow_dispatch:
+  schedule:
+    - cron: '0 2 * * 1'
+
+jobs:
+  setup:
+    name: Setup variables
+    runs-on: 'ubuntu-20.04'
+    outputs:
+      min_python: ${{ steps.vars.outputs.min_python }}
+      release_tag: ${{ steps.release.outputs.release_tag }}
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0  # history required so we can determine latest release tag
+      - name: Get last release tag from git
+        id: release
+        run: echo "release_tag=$(git describe --tags --abbrev=0 --match '[0-9]*.[0-9]*.[0-9]*')" >> $GITHUB_OUTPUT
+      - name: Get Python version for other CI jobs
+        id: vars
+        run: echo "min_python=$(cat .github/workflows/python-version-ci)" >> $GITHUB_OUTPUT
+
+  tests:
+    name: Tests
+    needs: setup
+    strategy:
+      matrix:
+        os: ['ubuntu-20.04']
+        python:
+          - version: '${{needs.setup.outputs.min_python}}'
+            tox-env: 'unpinned'
+    uses: ./.github/workflows/test.yml
+    with:
+      os-variant: ${{ matrix.os }}
+      python-version: ${{ matrix.python.version }}
+      tox-env: ${{ matrix.python.tox-env }}
+      checkout_ref: ${{ needs.setup.outputs.release_tag }}

.pre-commit-config.yaml

@@ -1,6 +1,6 @@
 repos:
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.3.0
+    rev: v4.5.0
     hooks:
       - id: check-added-large-files
       - id: check-json
@@ -18,7 +18,7 @@ repos:
       - id: isort
         name: isort (python)
   - repo: https://github.com/psf/black-pre-commit-mirror
-    rev: 23.9.0
+    rev: 23.11.0
     hooks:
       - id: black
   - repo: https://github.com/kynan/nbstripout
@@ -29,28 +29,27 @@ repos:
         args: [ "--drop-empty-cells",
                 "--extra-keys 'metadata.language_info.version cell.metadata.jp-MarkdownHeadingCollapsed cell.metadata.pycharm'" ]
   - repo: https://github.com/pycqa/flake8
-    rev: 4.0.1
+    rev: 6.1.0
     hooks:
       - id: flake8
         types: ["python"]
-        additional_dependencies: ["flake8-bugbear==22.10.27"]
+        additional_dependencies: ["flake8-bugbear==23.9.16"]
   - repo: https://github.com/pycqa/bandit
-    rev: 1.7.4
+    rev: 1.7.5
     hooks:
       - id: bandit
         additional_dependencies: ["bandit[toml]"]
         args: ["-c", "pyproject.toml"]
   - repo: https://github.com/codespell-project/codespell
-    rev: v2.2.2
+    rev: v2.2.6
     hooks:
       - id: codespell
         additional_dependencies:
           - tomli
   - repo: https://github.com/pre-commit/pygrep-hooks
-    rev: v1.9.0
+    rev: v1.10.0
     hooks:
       - id: python-no-eval
-        exclude: "object_list.py"
       - id: python-no-log-warn
       - id: python-use-type-annotations
       - id: rst-backticks

CODE_OF_CONDUCT.md

@@ -61,7 +61,7 @@ representative at an online or offline event.
 
 Instances of abusive, harassing, or otherwise unacceptable behavior may be
 reported to the community leaders responsible for enforcement at
-scipp@ess.eu.
+scipp[at]ess.eu.
 All complaints will be reviewed and investigated promptly and fairly.
 
 All community leaders are obligated to respect the privacy and security of the

docs/developer/getting-started.md

@@ -78,14 +78,14 @@ tox -e linkcheck
 Build the documentation using
 
 ```sh
-python -m sphinx -v -b html -d build/.doctrees docs build/html
+python -m sphinx -v -b html -d .tox/docs_doctrees docs html
 ```
 
 Additionally, test the documentation using
 
 ```sh
-python -m sphinx -v -b doctest -d build/.doctrees docs build/html
-python -m sphinx -v -b linkcheck -d build/.doctrees docs build/html
+python -m sphinx -v -b doctest -d .tox/docs_doctrees docs html
+python -m sphinx -v -b linkcheck -d .tox/docs_doctrees docs html
 ```
 ````
 `````

pyproject.toml

@@ -46,6 +46,7 @@ dynamic = ["version"]
 
 [project.urls]
 "Bug Tracker" = "https://github.com/scipp/essreflectometry/issues"
+"Documentation" = "https://scipp.github.io/essreflectometry"
 "Source" = "https://github.com/scipp/essreflectometry"
 
 [tool.setuptools_scm]
@@ -70,6 +71,7 @@ skip-string-normalization = true
 [tool.isort]
 skip_gitignore = true
 profile = "black"
+known_first_party = ["essreflectometry"]
 
 [tool.mypy]
 strict = true

requirements/make_base.py

@@ -1,5 +1,6 @@
 import sys
 from argparse import ArgumentParser
+from typing import List
 
 import tomli
 
@@ -12,7 +13,14 @@
 )
 args = parser.parse_args()
 
-header = "# Generated by 'tox -e deps', DO NOT EDIT MANUALLY!'\n"
+
+def write_dependencies(dependency_name: str, dependencies: List[str]) -> None:
+    header = "# Generated by 'tox -e deps', DO NOT EDIT MANUALLY!'\n"
+    with open(f"{dependency_name}.in", "w") as f:
+        f.write(header)
+        f.write("\n".join(dependencies))
+        f.write("\n")
+
 
 with open("../pyproject.toml", "rb") as toml_file:
     pyproject = tomli.load(toml_file)
@@ -21,9 +29,7 @@
         raise RuntimeError("No dependencies found in pyproject.toml")
     dependencies = [dep.strip().strip('"') for dep in dependencies]
 
-with open("base.in", "w") as f:
-    f.write(header)
-    f.write("\n".join(dependencies))
+write_dependencies("base", dependencies)
 
 
 def as_nightly(repo: str) -> str:
@@ -39,10 +45,8 @@ def as_nightly(repo: str) -> str:
     return f"{repo} @ git+https://github.com/{org}/{repo}@main"
 
 
-nightly = args.nightly.split(",") if args.nightly else []
-dependencies = [dep for dep in dependencies if not dep.startswith(tuple(nightly))]
-dependencies += [as_nightly(arg) for arg in nightly]
+nightly = tuple(args.nightly.split(",") if args.nightly else [])
+nightly_dependencies = [dep for dep in dependencies if not dep.startswith(nightly)]
+nightly_dependencies += [as_nightly(arg) for arg in nightly]
 
-with open("nightly.in", "w") as f:
-    f.write(header)
-    f.write("\n".join(dependencies))
+write_dependencies("nightly", nightly_dependencies)

src/essreflectometry/orso.py

@@ -11,4 +11,5 @@ def not_found_warning():
         "For metadata to be logged in the data array, "
         "it is necessary to install the orsopy package.",
         UserWarning,
+        stacklevel=2,
     )

src/essreflectometry/types.py

@@ -24,15 +24,16 @@ class ThetaData(sciline.Scope[Run, sc.DataArray], sc.DataArray):
 
 
 class QData(sciline.Scope[Run, sc.DataArray], sc.DataArray):
-    """Event data with wavelength, incidence angle and momentum transfer computed per event.
+    """Event data with wavelength, incidence angle,
+    and momentum transfer computed per event.
     Binned by momentum transfer according to the QBins provider,
     and by `detector_number` (pixel of the detector frame).
     """
 
 
 class FootprintCorrectedData(sciline.Scope[Run, sc.DataArray], sc.DataArray):
-    """Event data with weight corrected for the footprint of the beam on the sample for the
-    incidence angle of the event."""
+    """Event data with weight corrected for the footprint of the beam
+    on the sample for the incidence angle of the event."""
 
 
 SpecularReflectionCoordTransformGraph = NewType(

tox.ini

@@ -6,14 +6,21 @@ isolated_build = true
 deps = -r requirements/test.txt
 setenv =
   JUPYTER_PLATFORM_DIRS = 1
-commands = pytest
+commands = pytest {posargs}
 
 [testenv:nightly]
 deps =
   -r requirements/nightly.txt
   pytest
 commands = pytest
 
+[testenv:unpinned]
+description = Test with unpinned dependencies, as a user would install now.
+deps =
+  essreflectometry
+  pytest
+commands = pytest
+
 [testenv:docs]
 description = invoke sphinx-build to build the HTML docs
 deps = -r requirements/docs.txt