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Fix test and doc errors and warnings with most recent dependencies - #407

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tovrstra merged 2 commits into
theochem:mainfrom
tovrstra:janitorial-sep2026
Sep 8, 2026
Merged

Fix test and doc errors and warnings with most recent dependencies#407
tovrstra merged 2 commits into
theochem:mainfrom
tovrstra:janitorial-sep2026

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@tovrstra

@tovrstra tovrstra commented Sep 6, 2026

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This is just maintenance:

  • Update pre-commit hooks
  • Use modern Python approach to load IOData's version number in to sphinx
  • Fix a warning when builkding the docs
  • Replace some outdated pytest constructs in the unit tests
  • Upgrade too low build-system dependencies
  • Add the worksteal option to pytest for improved unit test concurrency

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🟡 Changes recommended

The updated Sphinx autodoc skip logic in docs/conf.py has a concrete correctness gap for imported members that lack __module__, so it may not actually suppress external/imported symbols as intended.

Once you've addressed the issues Copilot identified, you can request another Copilot review.

Pull request overview

This PR performs maintenance updates to keep the project compatible with newer tooling and dependencies: updating build-system requirements, modernizing Sphinx version retrieval, reducing doc build warnings, and updating tests/CI ergonomics.

Changes:

  • Bump build-system dependencies and expand supported Python classifiers; update pytest-xdist settings for better parallel scheduling.
  • Modernize/adjust unit tests to avoid deprecated pytest patterns and warnings.
  • Refresh documentation and pre-commit tooling configuration.
File summaries
File Description
pyproject.toml Updates build-system requirements, adds Python 3.14 classifier, and tweaks pytest addopts for xdist worksteal.
iodata/test/test_overlap.py Adjusts parametrization input to avoid pytest warnings with iterables.
iodata/test/test_iodata.py Replaces deprecated pytest.raises call style with context-manager usage.
docs/requirements.txt Removes setuptools_scm from doc requirements (no longer needed for version resolution).
docs/conf.py Switches doc version discovery to importlib.metadata.version and adjusts autodoc skip logic.
.pre-commit-config.yaml Updates hook revisions to newer releases.
Review details
  • Files reviewed: 6/6 changed files
  • Comments generated: 1
  • Review effort level: Lite

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Comment thread docs/conf.py
@tovrstra
tovrstra requested a review from FanwangM September 6, 2026 09:13
@tovrstra

tovrstra commented Sep 6, 2026

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@FanwangM I'm not sure how available you are for review? Feel free to decline and note that this is not urgent, just cleaning. (I can also ping someone else.) Thanks.

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LGTM.

@tovrstra
tovrstra merged commit 76185a6 into theochem:main Sep 8, 2026
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@tovrstra
tovrstra deleted the janitorial-sep2026 branch September 8, 2026 08:06
@tovrstra

tovrstra commented Sep 8, 2026

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Thanks for checking

@FanwangM

FanwangM commented Sep 8, 2026

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Sorry I haven't been able to check this repo more often. @tovrstra
Please feel free to assign me anything that I can help with.

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4 participants