CI #8
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| name: "CI" | |
| on: | |
| pull_request: | |
| branches: | |
| - main | |
| push: | |
| branches: | |
| - main | |
| schedule: | |
| # At 07:00 UTC on Monday and Thursday. | |
| - cron: "0 7 * * 1,4" | |
| concurrency: | |
| group: "${{ github.workflow }}-${{ github.ref }}" | |
| cancel-in-progress: true | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| tests: | |
| runs-on: ${{ matrix.os }}-latest | |
| name: "tests" | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: ['ubuntu'] | |
| python-version: | |
| - "3.11" | |
| - "3.12" | |
| - "3.13" | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: "Install environment" | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: devtools/conda-envs/test.yml | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| # alchemiscale #502 is merged to main but not yet on a conda-forge | |
| # release, so overlay the package from git main to pick up | |
| # `_compute_jobs_to_create` and `max_submit_per_cycle`. Switch to the | |
| # conda-forge release once it includes #502. | |
| - name: "Install alchemiscale from git main" | |
| run: | | |
| python -m pip install --no-deps \ | |
| git+https://github.com/OpenFreeEnergy/alchemiscale.git@main | |
| # Not --no-deps: the package declares no runtime deps (those come from | |
| # the conda env), so this only pulls pytest from the `test` extra. | |
| - name: "Install" | |
| run: python -m pip install -e "./pkg[test]" | |
| - name: "Environment Information" | |
| run: | | |
| micromamba info | |
| micromamba list | |
| # test_compute_manager.py is an intentional, unimplemented stub | |
| # (raises NotImplementedError) and is tracked separately; ignore it | |
| # here so CI reflects the implemented suite. | |
| - name: "Run tests" | |
| timeout-minutes: 30 | |
| run: | | |
| pytest -v pkg/src/alchemiscale_k8s/tests \ | |
| --ignore=pkg/src/alchemiscale_k8s/tests/test_compute_manager.py |