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gemmi executable in a wheel

Here we provide the command-line program gemmi in wheels.

It is, in PyPI, distributed separately from the Python extension module gemmi, because, unlike the module, it does not depend on Python version.

notes for myself -- how to make wheels after gemmi release

  • update:

    • GIT_TAG in CMakeLists.txt
    • version in pyproject.toml
    • scikit-build-core version in pyproject.toml (optional)
    • cibuildwheel version in .github/workflows/wheels.yml (optional)
    • commit and push

  • wait and download1 zip files, unzip them extracting .whl wheels: for i in *.zip; do unzip $i; done

  • rename whl files if necessary (they should be gemmi_program-$VERSION-*.whl)

  • test locally with python -m pip install --no-index --find-links=wheels gemmi_program

  • make source distribution of this repo: python -m build --sdist

    twine upload dist/gemmi_program-$VERSION.tar.gz
twine upload wheels/gemmi_program-$VERSION-*.whl