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Molara-Lab / Molara

Molara is a Python package for the visualization of chemical structures such as molecules or crystals. It provides a graphical user interface for importing structures from output files of popular computational chemistry software as well as for creating custom structures.
GNU General Public License v3.0
14 stars 0 forks source link

Create release workflow #347

Closed ab5424 closed 5 months ago

ab5424 commented 5 months ago

Closes #346

Summary by CodeRabbit

coderabbitai[bot] commented 5 months ago

Walkthrough

The recent updates streamline the release process for a Python project, improve coverage report conditions, include additional file types in distributions, and refine package configuration. These changes enhance deployment automation and build accuracy, with a focus on PyPI releases and repository-specific actions.

Changes

File Path Change Summary
.github/workflows/release.yml, .github/workflows/test.yml Introduces a release workflow automating Python project releases, updates coverage report conditions.
pyproject.toml, setup.py Version update, package configuration changes.
MANIFEST.in Adds a directive to include all .pyx files globally.

Assessment against linked issues

Objective Addressed Explanation
Implement release workflow for trusted release on PyPI and configure wheel builds (#346) ✅

Poem

🐇✨ In the burrows of code, a rabbit hops, Through lines and files, it never stops! A new release, oh what a sight, Automated workflows make it just right. Cheers to the team, for wheels that spin, With every merge, a new journey begins! 🎉🐾

Recent Review Details **Configuration used: CodeRabbit UI**
Commits Files that changed from the base of the PR and between 1256b8430295fc0cc1d7cc24e1993b0f3ac35fdd and 92f5a26b89524404df9fd9f37ada8c3d9c480b2c.
Files selected for processing (3) * .github/workflows/release.yml (1 hunks) * .github/workflows/test.yml (3 hunks) * pyproject.toml (2 hunks)
Files skipped from review as they are similar to previous changes (2) * .github/workflows/release.yml * .github/workflows/test.yml
Additional comments not posted (3)
pyproject.toml (3)
`6-6`: The update to specify the package directory as "src" aligns with common practices for Python projects, ensuring a clean separation of source code from other project files. --- `9-9`: Please ensure the rationale for excluding `*musllinux*` builds is documented or communicated clearly to the team. This helps in understanding the strategic or compatibility reasons behind this decision. --- `13-13`: The version update to "0.0.1.7" is noted. Please ensure this aligns with the release tagging strategy used in the workflow to maintain consistency across releases.
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codecov[bot] commented 5 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 68.18%. Comparing base (789ff42) to head (92f5a26).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #347 +/- ## ======================================= Coverage 68.18% 68.18% ======================================= Files 38 38 Lines 3225 3225 ======================================= Hits 2199 2199 Misses 1026 1026 ```

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.

ab5424 commented 5 months ago

This is ready to merge. Once it is merged, a new release can be triggered by increasing the version in pyproject.toml and then creating a release on the molara github page.

ab5424 commented 5 months ago

@Michel-Heinz I removed script_args=["build_ext", "--build-lib=src/"] from the cython compilation. If this is ok, please merge this pull request.