release.yaml

---
# The standard xchem Python package release process.
# Run on 'Release' and published to PyPI as a 'trusted' publisher.
#
# See https://docs.pypi.org/trusted-publishers/creating-a-project-through-oidc/
# See https://packaging.python.org/en/latest/guides/publishing-package-distribution-releases-using-github-actions-ci-cd-workflows/
name: Release

on:
  release:
    types:
    - published

jobs:
  build:
    name: Build distribution
    runs-on: ubuntu-latest
    steps:
    - name: Checkout
      uses: actions/checkout@v6
      with:
        persist-credentials: false
    - name: Set up Python
      uses: actions/setup-python@v6
      with:
        python-version: '3.x'
    - name: Install build package
      run: |
        python3 -m pip install --upgrade pip
        python3 -m pip install uv==0.10.6 --user
    - name: Build
      run: uv build
      env:
        FRAG_VERSION: ${{ github.ref_name }}
    - name: Store the distribution
      uses: actions/upload-artifact@v5
      with:
        name: python-package-distribution
        path: dist/

  publish:
    name: Publish to PyPI
    needs:
    - build
    runs-on: ubuntu-latest
    environment:
      name: pypi
      url: https://pypi.org/p/xchem-fragutils
    permissions:
      id-token: write
    steps:
    - name: Download distribution
      uses: actions/download-artifact@v6
      with:
        name: python-package-distribution
        path: dist/
    - name: Publish
      uses: pypa/gh-action-pypi-publish@release/v1