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Contributing to scikit-fingerprints library

Thank you for your interest in contributing to scikit-fingerprints library! We welcome contributions from the community to make our project even better.

Getting Started

Before you start contributing, please take a moment to review the following guidelines to ensure a smooth and productive collaboration.

Reporting Issues

If you find a bug, have a question, or want to propose a new feature, please open an issue on our GitHub repository. Be sure to include as much detail as possible, such as a clear description, steps to reproduce the issue, and any relevant screenshots or error messages.

Pull Requests

We encourage you to submit pull requests (PRs) to improve our project. To do so, follow these steps:

  1. Set up your development environment by following the instructions. In particular, make sure that pre-commit hooks are working.

  2. Create a new branch for your feature or bug fix:

    git checkout -b my-feature

  3. Make your changes. Make sure to follow the existing coding style and conventions. Commit changes with clear and concise commit messages.

  4. Push your changes to your forked repository:

    git push origin my-feature

  5. Open a pull request on our GitHub repository, make sure to fill the PR template. PR name should be well-formatted, concise, and clearly define what you did, e.g. "Implemented X", "Fixed Y", "Added Z and Q".

  6. Participate in the review process by addressing any feedback or comments on your PR.

Development Setup (Linux)

Prerequisites:

  • Python 3.9 or higher
  • Poetry
  • Git

To set up the development environment, follow these steps:

  1. Fork the repository on GitHub.
  2. Clone your forked repository to your local machine: 
    git clone <repository-url>
  3. Run make to set up the development environment: 
    make setup
    This command will set up a virtual environment and install all the necessary dependencies.
  4. That's it! You're ready to start developing. For more convenience, you can run the following command to activate the virtual environment: 
    poetry shell

If you are using PyCharm, then mark tests directory as tests sources root. Also make sure that PyTest is configured as the default test runner. This will make running them easier from UI.

NOTE

For other operating systems, please refer to Makefile for the commands to run.

Testing

Before submitting a pull request, make sure to run the tests to ensure that your changes do not introduce regressions. To run tests, execute make test in the main directory of the repository. If necessary, add new tests to cover your code. Also, please be sure that you do not violate any code style requirements (you can check it by running pre-commit on staged files).

Documentation

If you are contributing new features or changes, please update the documentation to reflect your changes. You can find the documentation in the docs directory.

Run make docs in the main directory of the repository to build the documentation. This command will generate HTML files in the docs/_build/html directory.

To view the documentation, open the docs/_build/html/index.html file in your browser.

Releasing

To release scikit-fingerprints open a GitHub release with tag named 'vA.B.C' where each letter stands for version number. Fill the release notes and submit the release. Then, the version will be automatically sourced from tag by GH action and released to PyPI.

Code of Conduct

By participating in this project, you agree to abide by the Code of Conduct. We take violations seriously and may take action if necessary to maintain a welcoming and respectful community.

Licensing

By contributing to this project, you agree that your contributions will be licensed under the MIT License.

Thank you for your contribution! Your efforts help make scikit-fingerprints library better for everyone.