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.
- 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.
- 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.
- The use of emoji in Pull Requests is encouraged with the format ":emoji: Commit summary". See this list of suggested emoji.
- Please reference relevant GitHub issues in your commit messages using
GH123or#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 Google 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.