render-demos.yml

name: Render demos

on:
  push:
    branches: [main]
    paths:
      - "configs/.pymolrc"
      - "configs/.pymolrc.py"
      - "scripts/demos/*.pml"
  workflow_dispatch:

jobs:
  render:
    runs-on: ubuntu-latest
    permissions:
      contents: write
    defaults:
      run:
        shell: bash -l {0}
    name: Render demos

    steps:
      - uses: actions/checkout@v6
        with:
          token: ${{ secrets.GITHUB_TOKEN }}

      - name: Setup Miniconda
        uses: conda-incubator/setup-miniconda@v3
        with:
          auto-update-conda: true
          activate-environment: pymol
          channels: conda-forge,defaults
          use-mamba: true

      - name: Install PyMOL
        run: |
          conda install -y pymol-open-source

      - name: Render demos
        env:
          PYMOLRC: ${{ github.workspace }}/configs/.pymolrc
        run: |
          mkdir -p assets
          for pml in scripts/demos/*.pml; do
            name=$(basename "$pml" .pml)
            echo "Rendering $name..."
            xvfb-run -a pymol -cqxi -d "@${PYMOLRC}" "$pml"
          done
          ls -la assets/

      - name: Commit rendered PNGs
        run: |
          git config user.name "github-actions[bot]"
          git config user.email "github-actions[bot]@users.noreply.github.com"
          git add assets/*.png
          if git diff --staged --quiet; then
            echo "No PNG changes"
          else
            git commit -m "chore: re-render demos after config update"
            git push origin HEAD:${{ github.ref }}
          fi