Contributing Guide
Developer Setup
Install the library with the [dev,doc] options to install the test and
documentation building suite.
pip install git+https://github.com/Teoroo-CMC/PiNN.git[dev,doc]
pytest # to run all the tests
mkdocs serve # build a live documentation
Pull Request Checklist
Contributions to the main repo teoroo-cmc/pinn shall proceed with a pull
request (PR), which will be reviewed by at least one member of the PiNN team.
Track your development with a fork and start contributing by opening a PR. PR
can be used to discussed new features without implementation.
The default GitHub actions runs the tests automatically, and builds a versioned documentation for each fork. Below is a checklist before merging commits to the master branch:
Code Quality
- Test should pass;
- New code should be tested at least with an integration test (e.g. a layer should be used in a test of the potential model);
- Components with non-trivial expected outputs should be tested with simple cases (e.g. neighbor list or equivarient tensor products).
Documentation
- Documentation build should pass;
- New layers should be documented, include equations when necessary;
- Citations should be added as a Bibtex entry.
Hygiene Rules
- Rebase changes new changes should always be rebased on the latest master branch before merged, see interactive rebase if you need to rewrite history;
- Follow PEP 440 for versioning.