Add oplsaa and trappe XML #942
Workflow file for this run
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| name: CI | |
| # Controls when the workflow will run | |
| on: | |
| # Triggers the workflow on push or pull request events but only for the main branch | |
| push: | |
| branches: [ main ] | |
| paths: | |
| # run the tests when any python file is changed | |
| - '**.py' | |
| pull_request: | |
| branches: [ main ] | |
| paths: | |
| # run the tests when any python file is changed | |
| - '**.py' | |
| # Allows you to run this workflow manually from the Actions tab | |
| workflow_dispatch: | |
| # A workflow run is made up of one or more jobs that can run sequentially or in parallel | |
| jobs: | |
| Mambaforge-pytest: | |
| name: Unit-Test (${{ matrix.os }}, Mambaforge) | |
| runs-on: ${{ matrix.os }}-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.8"] | |
| os: ["ubuntu", "macos"] | |
| include: | |
| - os: ubuntu | |
| environment-file: environment.yml | |
| miniforge-variant: Mambaforge | |
| miniforge-version: 4.9.2-4 | |
| - os: macos | |
| environment-file: environment.yml | |
| miniforge-variant: Mambaforge-pypy3 | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| environment-file: ${{ matrix.environment-file }} | |
| miniforge-variant: ${{ matrix.miniforge-variant }} | |
| miniforge-version: ${{ matrix.miniforge-version }} | |
| python-version: ${{ matrix.python-version }} | |
| use-mamba: true | |
| - shell: bash -l {0} | |
| run: | | |
| pip install . | |
| - shell: bash -l {0} | |
| run: | | |
| python -m pytest -v --color=yes | |
| echo "tests finished" |