Run benchmarks and commit the results #1
Workflow file for this run
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| # this is adapted from openff-docs/cookbook_preproc.yaml | |
| name: Run benchmarks and commit the results | |
| on: | |
| workflow_dispatch: | |
| inputs: | |
| pr_number: | |
| description: 'Run the benchmarks for PR#: ' | |
| required: true | |
| type: string | |
| path: | |
| description: Path to submission directory | |
| required: true | |
| type: string | |
| env: | |
| description: Path to conda YAML file | |
| required: true | |
| type: string | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ inputs.pr_number || github.ref || github.run_id }} | |
| cancel-in-progress: true | |
| jobs: | |
| benchmark: | |
| permissions: write-all | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Report dispatch to PR | |
| if: github.event_name == 'workflow_dispatch' && inputs.pr_number != '' | |
| uses: thollander/actions-comment-pull-request@v2 | |
| with: | |
| pr_number: ${{ inputs.pr_number }} | |
| message: > | |
| A workflow has been dispatched to run the benchmarks for this PR. | |
| - Run ID: [${{ github.run_id }}] | |
| - Triggering actor: ${{ github.triggering_actor }} | |
| - Target branch: ${{ github.ref_name }} | |
| [${{ github.run_id }}]: ${{ github.server_url }}/${{ github.repository }}/actions/runs/${{ github.run_id }} | |
| - name: Create check | |
| if: github.event_name == 'workflow_dispatch' && inputs.pr_number != '' | |
| id: create-check | |
| uses: actions/github-script@v6 | |
| with: | |
| script: | | |
| const created_run = await github.request( | |
| 'POST /repos/{owner}/{repo}/check-runs', | |
| { | |
| owner: context.repo.owner, | |
| repo: context.repo.repo, | |
| name: '${{ github.job }}', | |
| head_sha: '${{ github.sha }}', | |
| details_url: '${{ github.server_url }}/${{ github.repository }}/actions/runs/${{ github.run_id }}', | |
| status: 'in_progress', | |
| started_at: new Date().toISOString(), | |
| output: { | |
| title: 'Run benchmarks', | |
| summary: 'Results and progress: ${{ github.server_url }}/${{ github.repository }}/actions/runs/${{ github.run_id }}', | |
| text: '' | |
| }, | |
| headers: { | |
| 'X-GitHub-Api-Version': '2022-11-28' | |
| } | |
| } | |
| ) | |
| return created_run.data.id | |
| - uses: actions/checkout@v3 | |
| - name: Install Conda environment | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: ${{ inputs.env }} | |
| - name: Run benchmarks | |
| env: | |
| OE_LICENSE: ${{ github.workspace }}/oe_license.txt | |
| shell: bash -l {0} | |
| run: | | |
| set -e | |
| python main.py ${{ inputs.path }} $(nproc) | |
| - name: Commit results | |
| shell: bash -l {0} | |
| run: | | |
| git config --global user.name github-actions | |
| git config --global user.email [email protected] | |
| git config --global init.defaultBranch main | |
| # Commit the benchmark results and push | |
| git add . | |
| git commit -m "Add benchmark results" | |
| git push | |
| - name: Upload to zenodo | |
| env: | |
| ZENODO_TOKEN: ${{ secrets.ZENODO_TOKEN }} | |
| shell: bash -l {0} | |
| run: | | |
| bzip2 tmp.sqlite | |
| python zenodo_upload.py tmp.sqlite.bz2 | |
| - name: Report status to PR | |
| id: reportStatusToPr | |
| if: always() && github.event_name == 'workflow_dispatch' && inputs.pr_number != '' | |
| uses: thollander/actions-comment-pull-request@v2 | |
| with: | |
| pr_number: ${{ inputs.pr_number }} | |
| message: > | |
| A workflow dispatched to run benchmarks for this PR has just finished. | |
| - Run ID: [${{ github.run_id }}] | |
| - Triggering actor: ${{ github.triggering_actor }} | |
| - Target branch: ${{ github.ref_name }} | |
| - Job status: **${{ job.status }}** | |
| [${{ github.run_id }}]: ${{ github.server_url }}/${{ github.repository }}/actions/runs/${{ github.run_id }} | |
| - name: Report status to PR on templating failure | |
| if: always() && steps.reportStatusToPr.outcome == 'failure' | |
| uses: thollander/actions-comment-pull-request@v2 | |
| with: | |
| pr_number: ${{ inputs.pr_number }} | |
| message: > | |
| A workflow dispatched to run benchmarks for this PR has just failed. | |
| - Run ID: [${{ github.run_id }}] | |
| - Triggering actor: ${{ github.triggering_actor }} | |
| - Target branch: ${{ github.ref_name }} | |
| - Job status: **${{ job.status }}** | |
| [${{ github.run_id }}]: ${{ github.server_url }}/${{ github.repository }}/actions/runs/${{ github.run_id }} | |
| - name: Update check | |
| if: always() && github.event_name == 'workflow_dispatch' && inputs.pr_number != '' | |
| uses: actions/github-script@v6 | |
| with: | |
| script: | | |
| await github.request( | |
| 'PATCH /repos/{owner}/{repo}/check-runs/{check_run_id}', | |
| { | |
| owner: context.repo.owner, | |
| repo: context.repo.repo, | |
| check_run_id: ${{ steps.create-check.outputs.result }}, | |
| status: 'completed', | |
| conclusion: '${{ job.status }}', | |
| completed_at: new Date().toISOString(), | |
| headers: { | |
| 'X-GitHub-Api-Version': '2022-11-28' | |
| } | |
| } | |
| ) |