Pull molecular templates header updates #40
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| name: Pull molecular templates header updates | |
| on: | |
| workflow_dispatch: ~ | |
| schedule: | |
| # Run every Sunday at 00:00 UTC | |
| - cron: '0 0 * * 6' | |
| permissions: | |
| contents: write | |
| pull-requests: write | |
| env: | |
| tpl_repo: 'rdkit/molecular_templates' | |
| tpl_hdr: 'template_smiles.h' | |
| rdk_hdr: 'Code/GraphMol/Depictor/TemplateSmiles.h' | |
| jobs: | |
| check_header_changes_and_create_pr: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout RDKit | |
| uses: actions/checkout@v3 | |
| - name: Checkout molecular_templates | |
| uses: actions/checkout@v3 | |
| with: | |
| repository: ${{ env.tpl_repo }} | |
| ref: main | |
| path: molecular_templates | |
| - name: Commit and push changes | |
| id: push_changes | |
| run: | | |
| cp -f molecular_templates/${{ env.tpl_hdr }} ${{ env.rdk_hdr }} | |
| if ! git diff --quiet --exit-code ${{ env.rdk_hdr }}; then | |
| git config user.name "github-actions[bot]" | |
| git config user.email "github-actions[bot]@noreply.github.com" | |
| templates_sha=$(cd molecular_templates && git rev-parse --short HEAD) | |
| pr_branch=templates_update_${templates_sha} | |
| git checkout -b ${pr_branch} | |
| git add ${{ env.rdk_hdr }} | |
| coauthor=$(cd molecular_templates && git log -1 --pretty=format:'%an <%ae>') | |
| > commitmsg | |
| echo -e "[bot] Update molecular templates header\n\n" >> commitmsg | |
| echo -e "Co-authored-by: ${coauthor}\n" >> commitmsg | |
| git commit -F commitmsg | |
| git push origin ${pr_branch} | |
| echo "header_changed=1" >> ${GITHUB_OUTPUT} | |
| fi | |
| echo "templates_sha=${templates_sha}" >> ${GITHUB_OUTPUT} | |
| echo "pr_branch=${pr_branch}" >> ${GITHUB_OUTPUT} | |
| - name: pull-request-action | |
| if: ${{ steps.push_changes.outputs.header_changed == '1' }} | |
| uses: vsoch/pull-request-action@master | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
| PULL_REQUEST_FROM_BRANCH: ${{ steps.push_changes.outputs.pr_branch }} | |
| PULL_REQUEST_BRANCH: "master" | |
| PULL_REQUEST_BODY: ${{ format('Automated Pull Request to update molecular templates for | |
| coordinate generation to header in https://github.com/{0}/commit/{1})', env.tpl_repo, | |
| steps.push_changes.outputs.templates_sha) }} | |
| PULL_REQUEST_TITLE: "[bot] Update molecular templates header file" |