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.

• 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)

• test locally with pip wheel .

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

• git push changes to build wheels in GitHub Actions

• download the wheels, check them, upload sdist and wheels to PyPI:

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