This documentation provides a guide for pymatgen administrators. The following assumes you are using miniconda
or Anaconda.
The general procedure for releasing pymatgen comprises the following steps:
- Make sure all CI checks are green. We don't want to release known bugs.
- Update changelog.
- Run
invoke make-docto update the HTML docs. - Tag the latest commit with
git tag v<yyyy.mm.dd>. - Make a GitHub release with auto-generated release notes.
- Make sure the release action runs that publishes the new version to PyPI and conda-forge runs to completion.
Pymatgen uses invoke to automate releases.
You will also need sphinx and doc2dash.
pip install --upgrade invoke sphinxFirst update the change log. The autogenerated change log is simply a list of commit messages since the last version. Make sure to edit the log for brevity and to attribute significant features to appropriate developers:
invoke update-changelogThen, do the release:
invoke releaseDouble check that the releases are properly done on Pypi.