Contributing to chemparseplot

Thank you for considering contributing to chemparseplot! We appreciate your interest in making this project better.

Code of Conduct

Please read and adhere to our Code of Conduct to maintain a safe, welcoming, and inclusive environment.

Types of Contributions

We welcome various forms of contributions:

  • Bug Reports: Feel free to report any bugs you encounter.

  • Documentation: Typos, clarity issues, or missing guides—your help is welcome here.

  • Feature Discussions/Requests: Got an idea? Open an issue to discuss its potential.

  • Code Contributions: All code contributions are welcome.

Using Co-Authored-By in Git Commits

We encourage the use of co-authored commits for collaborative efforts. This helps in giving credit to all contributors for their work.

Co-authored-by: name <name@example.com>
Co-authored-by: another-name <another-name@example.com>

Development

Your contributions make this project better for everyone. Thank you for participating!

Local Development

Often it is useful to have pixi handle the dependencies:

pixi shell

A pre-commit job is set up on CI to enforce consistent styles. It is advisable to set it up locally as well using pipx for isolation:

# Run before committing
pipx run pre-commit run --all-files
# Or install the git hook to enforce this
pipx run pre-commit install

Note that the readme file is generated from readme_src.org via:

./scripts/org_to_md.sh readme_src.org readme.md

Tests

Tests and checks are run on the CI, however locally one can use:

pdm run test

Documentation

We use sphinx with the myst-parser:

sphinx-build doc/source doc/build/html
python -m http.server -d doc/build/html