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PULL_REQUEST_TEMPLATE.md

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Adapted from the Pymatgen PR template.

Summary

Include a summary of major changes in bullet points:

  • Feature 1
  • Feature 2
  • Fix 1
  • Fix 2

Additional dependencies introduced (if any)

  • List all new dependencies needed and justify why. While adding dependencies that bring significantly useful functionality is perfectly fine, adding ones that add trivial functionality, e.g., to use one single easily implementable function, is frowned upon. Provide a justification why that dependency is needed.

TODO (if any)

If this is a work-in-progress, write something about what else needs to be done

  • Feature 1 supports A, but not B.

Checklist

Work-in-progress pull requests are encouraged, but please put [WIP] in the pull request title.

Before a pull request can be merged, the following items must be checked:

  • Code is in the standard Python style. Run Black on your local machine.
  • Docstrings have been added in the Sphinx docstring format.
  • Type annotations are highly encouraged.
  • Tests have been added for any new functionality or bug fixes.
  • All existing tests pass.
  • The version number in flare/_version.py is updated. We are using a version number format a.b.c
    • If this PR fixes bugs, update version number to a.b.c+1
    • If this PR adds new features, update version number to a.b+1.0
    • If this PR includes significant changes in framework or interface, update version number to a+1.0.0

Note that the CI system will run all the above checks. But it will be much more efficient if you already fix most errors prior to submitting the PR.