Changes to address #292 #1333
Workflow file for this run
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| name: "CI - Integration" | |
| 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: ${{ matrix.OS }}-latest | |
| name: "tests" | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: ['ubuntu'] | |
| python-version: | |
| - "3.10" | |
| - "3.11" | |
| - "3.12" | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: devtools/conda-envs/test.yml | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| - name: "Install" | |
| run: python -m pip install --no-deps -e . | |
| - name: "Environment Information" | |
| run: | | |
| micromamba info | |
| micromamba list | |
| - name: "Run tests" | |
| run: | | |
| pytest -v --cov=alchemiscale --cov-report=xml alchemiscale/tests | |
| - name: codecov | |
| if: ${{ github.repository == 'OpenFreeEnergy/alchemiscale' | |
| && github.event != 'schedule' }} | |
| uses: codecov/codecov-action@v4 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: coverage.xml | |
| fail_ci_if_error: False | |
| verbose: True |