test #1106
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| name: test | |
| on: | |
| push: | |
| branches: | |
| - main | |
| pull_request: | |
| branches: | |
| - main | |
| schedule: | |
| - cron: "0 0 * * *" | |
| jobs: | |
| test: | |
| if: github.event.pull_request.draft == false | |
| name: forcefield utilities Tests on ${{ matrix.os }} with Python ${{ matrix.python-version }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [ macOS-latest, ubuntu-latest ] | |
| python-version: ["3.9", "3.10", "3.11"] | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v2 | |
| name: Checkout Branch | |
| - name: Install Mamba | |
| uses: mamba-org/provision-with-micromamba@main | |
| with: | |
| environment-file: environment-dev.yml | |
| extra-specs: | | |
| python=${{ matrix.python-version }} | |
| - name: Install Package | |
| run: python -m pip install -e . | |
| - name: Run Tests (OS -> ${{ matrix.os }} / Python -> ${{ matrix.python-version }}) | |
| run: | | |
| python -m pytest -v --color yes forcefield_utilities/tests --cov | |
| coverage xml | |
| - name: Upload coverage reports to Codecov | |
| uses: codecov/codecov-action@v3 | |
| bleeding-edge-test: | |
| if: github.event.pull_request.draft == false | |
| name: Bleeding Edge mosdef Tests for ffutils | |
| runs-on: ubuntu-latest | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - uses: actions/checkout@v2 | |
| name: Checkout Branch / Pull Request | |
| - name: Install Mamba | |
| uses: mamba-org/provision-with-micromamba@main | |
| with: | |
| environment-file: environment-dev.yml | |
| extra-specs: | | |
| python=3.8 | |
| - name: Clone GMSO | |
| run: | | |
| git clone https://github.com/mosdef-hub/gmso.git | |
| git clone https://github.com/mosdef-hub/foyer.git | |
| - name: Update Environment with mbuild/foyer/ffutils Dependencies | |
| run: | | |
| micromamba update --name forcefields-dev --file gmso/environment.yml | |
| micromamba update --name forcefields-dev --file foyer/environment.yml | |
| - name: Install Packages from Source | |
| run: | | |
| pip install -e gmso | |
| pip install -e foyer | |
| pip install -e . | |
| - name: Run Bleeding Edge Tests | |
| run: | | |
| python -m pytest -v --color yes --pyargs forcefield_utilities |