Full-stack tests #864
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| name: "Full-stack tests" | |
| on: | |
| push: | |
| workflow_dispatch: | |
| schedule: | |
| - cron: "0 1 * * *" | |
| defaults: | |
| run: | |
| shell: bash -leo pipefail {0} {0} | |
| jobs: | |
| test: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: ["3.9", "3.10", "3.11"] | |
| env: | |
| OE_LICENSE: ${{ github.workspace }}/oe_license.txt | |
| steps: | |
| - uses: actions/checkout@v4 | |
| # Each of these checkouts can be done on a feature branch | |
| # https://github.com/actions/checkout#checkout-a-different-branch | |
| # Only check out the repos whose tests directly run; development | |
| # installs of other packages are brought in via pip via micromamba | |
| - name: Checkout Interchange | |
| uses: actions/checkout@v4 | |
| with: | |
| repository: openforcefield/openff-interchange | |
| path: openff-interchange | |
| - name: Checkout OpenFF Fragmenter | |
| uses: actions/checkout@v4 | |
| with: | |
| repository: openforcefield/openff-fragmenter | |
| path: openff-fragmenter | |
| - name: Checkout OpenFF Recharge | |
| uses: actions/checkout@v4 | |
| with: | |
| repository: openforcefield/openff-recharge | |
| path: openff-recharge | |
| - name: Checkout SMIRNOFF plugins | |
| uses: actions/checkout@v4 | |
| with: | |
| repository: openforcefield/smirnoff-plugins | |
| path: smirnoff-plugins | |
| - name: Set up conda environment | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: devtools/conda-envs/full.yaml | |
| create-args: python=${{ matrix.python-version }} | |
| - name: Make oe_license.txt file from GH org secret "OE_LICENSE" | |
| env: | |
| OE_LICENSE_TEXT: ${{ secrets.OE_LICENSE }} | |
| run: echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE} | |
| - name: Install most recent development versions | |
| run: | | |
| micromamba remove --force \ | |
| openff-recharge \ | |
| openff-interchange \ | |
| -y | |
| python -m pip install -e \ | |
| openff-recharge/ \ | |
| openff-interchange/ \ | |
| openff-interchange/plugins/ \ | |
| smirnoff-plugins/ | |
| - name: Run 'everything all at once' tests | |
| run: | | |
| python -m pytest -nauto --rootdir=. --durations=20 \ | |
| smirnoff-plugins/smirnoff_plugins/_tests/ \ | |
| openff-recharge/openff/recharge/_tests/ \ | |
| openff-interchange/openff/interchange/_tests/ \ | |
| --ignore=openff-interchange/openff/interchange/_tests/test_parameter_plugins.py::test_force_field_custom_handler \ | |
| --ignore=openff-interchange/openff/interchange/_tests/test_forcefield.py::TestForceFieldPluginLoading \ | |
| --ignore=openff-interchange/openff/interchange/_tests/test_parameter_plugins.py \ | |
| --ignore=openff-interchange/openff/interchange/_tests/unit_tests/smirnoff/test_create.py::TestCreateWithPlugins \ | |
| --ignore=openff-interchange/openff/interchange/_tests/test_parameter_plugins.py::test_load_handler_plugins | |
| # --ignore=openff-toolkit/openff/toolkit/_tests/test_parameter_plugins.py \ | |
| # --ignore=openff-toolkit/openff/toolkit/_tests/test_forcefield.py::TestForceFieldPluginLoading \ | |
| # --ignore=openff-toolkit/openff/toolkit/_tests/test_nagl.py \ | |
| # openff-evaluator/openff/evaluator/ |