We welcome contributions in the form of bug reports, bug fixes, improvements to the documentation, ideas for enhancements, or the enhancements themselves!

You can find a list of current issues in the project’s GitHub repository. Feel free to tackle any existing bugs or enhancement ideas by submitting a pull request. Some issues are marked as beginner-friendly. These issues are a great place to start working with PyKED and ChemKED, if you’re new here.

Bug Reports

  • Please include a short (but detailed) Python snippet or explanation for reproducing the problem. Attach or include a link to any input files that will be needed to reproduce the error.

  • Explain the behavior you expected, and how what you got differed.

  • Include the full text of any error messages that are printed on the screen.

Pull Requests

  • If you’re unfamiliar with Pull Requests, please take a look at the GitHub documentation for them.

  • Make sure the test suite passes on your computer, and that test coverage doesn’t go down. To do this, run pytest -vv --cov=./ from the top-level directory.

  • Always add tests and docs for your code.

  • Please reference relevant GitHub issues in your commit messages using GH123 or #123.

  • Changes should be PEP8 and PEP257 compatible.

  • Keep style fixes to a separate commit to make your pull request more readable.

  • Add your changes into the CHANGELOG

  • Docstrings are required and should follow the NumPy style.

  • When you start working on a pull request, start by creating a new branch pointing at the latest commit on GitHub master.

  • The copyright policy is detailed in the LICENSE.


Thanks to the useful contributing guide of pyrk, which served as an inspiration and starting point for this guide.