Add GPU-enabled CI #3
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| name: GPU-enabled CI | |
| on: | |
| workflow_dispatch: | |
| pull_request: | |
| branches: | |
| - "main" | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| start-aws-runner: | |
| runs-on: ubuntu-latest | |
| permissions: | |
| id-token: write | |
| contents: read | |
| outputs: | |
| mapping: ${{ steps.aws-start.outputs.mapping }} | |
| steps: | |
| - name: Configure AWS credentials | |
| uses: aws-actions/configure-aws-credentials@v4 | |
| with: | |
| role-to-assume: arn:aws:iam::649715411074:role/gh-actions-runner-role | |
| aws-region: us-east-1 | |
| - name: Create cloud runner | |
| id: aws-start | |
| uses: omsf-eco-infra/gha-runner@v0.3.0 | |
| with: | |
| provider: "aws" | |
| action: "start" | |
| aws_image_id: ami-0d5079d9be06933e5 | |
| aws_instance_type: g4dn.xlarge | |
| aws_region_name: us-east-1 | |
| aws_home_dir: /home/ubuntu | |
| env: | |
| GH_PAT: ${{ secrets.GH_PAT }} | |
| self-hosted-test: | |
| runs-on: self-hosted | |
| needs: | |
| - start-aws-runner | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Print disk usage | |
| run: "df -h" | |
| - name: Print Docker details | |
| run: "docker version || true" | |
| - name: Setup Conda Environment | |
| uses: mamba-org/setup-micromamba@v2 | |
| with: | |
| environment-file: devtools/conda-envs/test_cuda_env.yaml | |
| - name: Install Package and test plugins | |
| run: python -m pip install . | |
| - name: Double-check local installation | |
| run: python -c "from openff.nagl import __version__; print(__version__)" | |
| - name: Run training test | |
| run: python -m pytest openff/nagl/tests/training/test_training.py::test_train_model_no_error | |
| stop-aws-runner: | |
| runs-on: ubuntu-latest | |
| permissions: | |
| id-token: write | |
| contents: read | |
| needs: | |
| - start-aws-runner | |
| - self-hosted-test | |
| if: ${{ always() }} | |
| steps: | |
| - name: Configure AWS credentials | |
| uses: aws-actions/configure-aws-credentials@v4 | |
| with: | |
| role-to-assume: arn:aws:iam::649715411074:role/gh-actions-runner-role | |
| aws-region: us-east-1 | |
| - name: Stop instances | |
| uses: omsf-eco-infra/gha-runner@v0.3.0 | |
| with: | |
| provider: "aws" | |
| action: "stop" | |
| instance_mapping: ${{ needs.start-aws-runner.outputs.mapping }} | |
| aws_region_name: us-east-1 | |
| env: | |
| GH_PAT: ${{ secrets.GH_PAT }} |