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Adapted from the Pymatgen PR template. | ||
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## Summary | ||
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Include a summary of major changes in bullet points: | ||
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* Feature 1 | ||
* Feature 2 | ||
* Fix 1 | ||
* Fix 2 | ||
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## Additional dependencies introduced (if any) | ||
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* 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. | ||
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## TODO (if any) | ||
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If this is a work-in-progress, write something about what else needs | ||
to be done | ||
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* Feature 1 supports A, but not B. | ||
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## Checklist | ||
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Work-in-progress pull requests are encouraged, but please put [WIP] | ||
in the pull request title. | ||
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Before a pull request can be merged, the following items must be checked: | ||
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- [ ] Code is in the [standard Python style](https://www.python.org/dev/peps/pep-0008/). | ||
Run [Black](https://pypi.org/project/black/) on your local machine. | ||
- [ ] Docstrings have been added in the [Sphinx docstring format](https://sphinx-rtd-tutorial.readthedocs.io/en/latest/docstrings.html). | ||
- [ ] 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 | ||
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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. |