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Contributing

Contributions are welcome, and they are greatly appreciated! Every little bit helps, and credit will always be given. You can contribute in the ways listed below.

Report Bugs

Report bugs using GitHub issues.

If you are reporting a bug, please include:

  • Your operating system name and version.
  • Any details about your local setup that might be helpful in troubleshooting.
  • Detailed steps to reproduce the bug.

Fix Bugs

Look through the GitHub issues for bugs. Anything tagged with "bug" and "help wanted" is open to whoever wants to implement it.

Implement Features

Look through the GitHub issues for features. Anything tagged with "enhancement" and "help wanted" is open to whoever wants to implement it.

Write Documentation

muse could always use more documentation, whether as part of the official muse docs, in docstrings, or even on the web in blog posts, articles, and such.

Submit Feedback

The best way to send feedback is to file an issue on GitHub.

If you are proposing a feature:

  • Explain in detail how it would work.
  • Keep the scope as narrow as possible, to make it easier to implement.
  • Remember that this is a volunteer-driven project, and that contributions are welcome :)

Get Started

Ready to contribute? Here's how to set up muse for local development.

  1. Fork the repo on GitHub.
  2. Clone your fork locally:
    git clone https://github.com/<your-username>/muse.git
    cd muse
  3. Install the package in development mode with dev dependencies:
    pip install -e ".[dev]"
  4. Install Packmol (required for structure generation):
    bash scripts/install-packmol.sh
  5. Create a branch for local development and make changes locally:
    git checkout -b feature/my-new-feature
  6. Check your code style with ruff:
    ruff check muse/ tests/
    ruff format --check muse/ tests/
  7. Run the test suite with pytest:
    pytest tests/ -v
  8. Commit your changes and push your branch to GitHub.
  9. Submit a pull request through the GitHub website.

Code Style

This project uses ruff for linting and formatting. Configuration is in pyproject.toml. Run formatting before committing:

ruff check --fix muse/ tests/
ruff format muse/ tests/

Code of Conduct

Please note that the muse project is released with a Contributor Code of Conduct. By contributing to this project you agree to abide by its terms.