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MAINTAINER.md

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Maintainer documentation

For additional documentation see the Developer Guide: Release Management page. This file gives a brief reminder of what maintainers need to do for new releases.

  1. create a release on GitHub using tag <major>.<minor>.<patch>.
  2. release on PyPi under https://pypi.org/project/GridDataFormats
  3. release on conda-forge https://anaconda.org/conda-forge/griddataformats

GitHub release

  • We use semantic versioning MAJOR.MINOR.PATCH (i.e., briefly, major revision changes whenever the API changes in backwards-incompatible manner, MINOR changes for new features, PATCH changes for fixes that correct functionality; as long as MAJOR == 0, we can break the API with increasing MINOR.)

  • Releases are cut from the master branch and tagged with MAJOR.MINOR.PATCH (note: the release tag determines the tag because we use versioneer, which obtains the release number from the git tag). We do from the master branch:

    1. git tag <major>.<minor>.<patch>
    2. git push --tags

  • This will automatically trigger a github action (named 'deploy') to using pypa's build tool to create a tarball & pure Python wheel and upload it to https://test.pypi.org/project/GridDataFormats

  • Once uploaded to testpypi, please check locally that the testpypi build is working as intended. In a clean environment do:

    1. pip install -i https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple GridDataFormats=="version number"
    2. pip install pytest
    3. pytest --pyargs gridData

  • Create a GitHub release from the tag and name it <major>.<minor>.<patch> and add a short description.

  • The GitHub release triggers the deploy action to deploy the tarball and wheel to the standard PyPI repository.

PyPi release

A GitHub release is automatically deployed to PyPI.

Update Conda-forge package

After a PyPI release update the conda-forge package feedstock.

Automatic

  1. Wait for the regro-cf-autotick-bot to create a PR, based on the PyPI release (can take a few hours).
  2. review the PR
  3. merge the PR
  4. conda packages will be built

Manual

Manual updates are rarely necessary.

If necessary do the following on a local checkout of the package feedstock

  1. create a new branch
  2. conda smithy rerender
  3. update the sha256 in the meta.yaml (see the PyPi downloads page for the sha256 of the tar.gz file)
  4. update version number

Afterwards upload the new branch to your own fork of the feedstock and generate a PR. Once all tests pass merge the PR and the package will be published.

Documentation

Documentation is automatically generated in CI and pushed to the gh-pages branch and appears at https://www.mdanalysis.org/GridDataFormats/.

There is also alternative documentation on ReadTheDocs https://griddataformats.readthedocs.io/, which automatically rebuilds.