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.
Please reference relevant GitHub issues in your commit messages using
Keep style fixes to a separate commit to make your pull request more readable.
Add your changes into the
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
Thanks to the useful contributing guide of pyrk, which served as an inspiration and starting point for this guide.