self-hosted-gpu-test #1290
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| name: self-hosted-gpu-test | |
| on: | |
| push: | |
| branches: | |
| - main | |
| - "0.10.x" | |
| workflow_dispatch: | |
| schedule: | |
| # nightly tests | |
| - cron: "0 0 * * *" | |
| jobs: | |
| start-runner: | |
| name: Start self-hosted EC2 runner | |
| runs-on: ubuntu-latest | |
| outputs: | |
| label: ${{ steps.start-ec2-runner.outputs.label }} | |
| ec2-instance-id: ${{ steps.start-ec2-runner.outputs.ec2-instance-id }} | |
| steps: | |
| - name: Configure AWS credentials | |
| uses: aws-actions/configure-aws-credentials@v1 | |
| with: | |
| aws-access-key-id: ${{ secrets.AWS_ACCESS_KEY_ID }} | |
| aws-secret-access-key: ${{ secrets.AWS_SECRET_ACCESS_KEY }} | |
| aws-region: ${{ secrets.AWS_REGION }} | |
| - name: Try to start EC2 runner | |
| id: start-ec2-runner | |
| uses: machulav/ec2-github-runner@main | |
| with: | |
| mode: start | |
| github-token: ${{ secrets.GH_PERSONAL_ACCESS_TOKEN }} | |
| ec2-image-id: ami-04d16a12bbc76ff0b | |
| ec2-instance-type: g4dn.xlarge | |
| subnet-id: subnet-0dee8543e12afe0cd # us-east-1a | |
| security-group-id: sg-0f9809618550edb98 | |
| # iam-role-name: self-hosted-runner # optional, requires additional permissions | |
| aws-resource-tags: > # optional, requires additional permissions | |
| [ | |
| {"Key": "Name", "Value": "ec2-github-runner"}, | |
| {"Key": "GitHubRepository", "Value": "${{ github.repository }}"} | |
| ] | |
| do-the-job: | |
| name: Do the job on the runner | |
| needs: start-runner # required to start the main job when the runner is ready | |
| runs-on: ${{ needs.start-runner.outputs.label }} # run the job on the newly created runner | |
| timeout-minutes: 1200 # 20 hrs | |
| env: | |
| TEST_MODE: GPU | |
| OPENMM: 8.0 | |
| OE_LICENSE: ${{ github.workspace }}/oe_license.txt | |
| HOME: /home/ec2-user | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - name: setup env | |
| run: | | |
| echo $HOME | |
| export HOME=/home/ec2-user | |
| echo $HOME | |
| - uses: actions/checkout@v3 | |
| - uses: mamba-org/provision-with-micromamba@main | |
| with: | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| channels: conda-forge,openeye | |
| extra-specs: | | |
| python==3.9 | |
| openmm>=8.0 | |
| cudatoolkit==11.7 | |
| pymbar<4 | |
| - name: Additional info about the build | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| micromamba info | |
| micromamba list | |
| python -c "import openmm; print(openmm.Platform.getPluginLoadFailures())" | |
| python -m openmm.testInstallation | |
| - name: Install package | |
| run: | | |
| python -m pip install --no-deps -v . | |
| - name: Environment Information | |
| run: | | |
| micromamba info | |
| micromamba list | |
| - name: Decrypt OpenEye license | |
| env: | |
| OE_LICENSE_TEXT: ${{ secrets.OE_LICENSE }} | |
| run: | | |
| echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE} | |
| python -c "import openeye; assert openeye.oechem.OEChemIsLicensed(), 'OpenEye license checks failed!'" | |
| - name: Test the package | |
| run: | | |
| export TRAVIS=true | |
| micromamba list | |
| pytest -v --cov-report xml --cov=perses --durations=0 -a "not advanced" -m "gpu_ci or gpu_needed" perses/tests | |
| - name: Codecov | |
| if: ${{ github.repository == 'choderalab/perses' | |
| && github.event != 'schedule' }} | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| file: ./coverage.xml | |
| fail_ci_if_error: false | |
| stop-runner: | |
| name: Stop self-hosted EC2 runner | |
| needs: | |
| - start-runner # required to get output from the start-runner job | |
| - do-the-job # required to wait when the main job is done | |
| runs-on: ubuntu-latest | |
| if: ${{ always() }} # required to stop the runner even if the error happened in the previous jobs | |
| steps: | |
| - name: Configure AWS credentials | |
| uses: aws-actions/configure-aws-credentials@v1 | |
| with: | |
| aws-access-key-id: ${{ secrets.AWS_ACCESS_KEY_ID }} | |
| aws-secret-access-key: ${{ secrets.AWS_SECRET_ACCESS_KEY }} | |
| aws-region: ${{ secrets.AWS_REGION }} | |
| - name: Stop EC2 runner | |
| uses: machulav/ec2-github-runner@main | |
| with: | |
| mode: stop | |
| github-token: ${{ secrets.GH_PERSONAL_ACCESS_TOKEN }} | |
| label: ${{ needs.start-runner.outputs.label }} | |
| ec2-instance-id: ${{ needs.start-runner.outputs.ec2-instance-id }} |