Add unit tests #24
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| name: GH Actions CI | |
| on: | |
| push: | |
| branches: | |
| - main | |
| pull_request: | |
| branches: | |
| - main | |
| schedule: | |
| # Weekly tests at midnight on Sundays run on main by default: | |
| # Scheduled workflows run on the latest commit on the default or base branch. | |
| # (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule) | |
| - cron: "0 0 * * 0" | |
| concurrency: | |
| # Specific group naming so CI is only cancelled | |
| # within same PR or on merge to main | |
| group: ${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }} | |
| cancel-in-progress: true | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| main-tests: | |
| if: "github.repository == 'openforcefield/openff-pablo'" | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-latest] | |
| python-version: ["3.11"] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| - name: Build information | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - name: Install environment | |
| uses: mamba-org/setup-micromamba@v2 | |
| with: | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| - name: Install package | |
| run: | | |
| python --version | |
| python -m pip install . | |
| - name: Python information | |
| run: | | |
| which python | |
| which pip | |
| pip list | |
| micromamba info | |
| micromamba list | |
| - name: Lint | |
| continue-on-error: true | |
| run: | | |
| ruff check openff | |
| - name: Type check | |
| continue-on-error: true | |
| run: | | |
| basedpyright openff | |
| - name: Run tests | |
| run: | | |
| pytest -n auto -v --color=yes | |
| # - name: codecov | |
| # uses: codecov/codecov-action@v3 | |
| # with: | |
| # file: coverage.xml | |
| # name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} | |
| # verbose: True |