add more side chain option, switch H cap with CH2 cap (#37) #15
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| name: CI | |
| on: | |
| push: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - main | |
| workflow_dispatch: | |
| jobs: | |
| test: | |
| if: github.event.pull_request.draft == false | |
| name: Unit Test on ${{ matrix.os }}, Python ${{ matrix.python-version }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| max-parallel: 5 | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: ["3.9", "3.10"] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - uses: mamba-org/provision-with-micromamba@main | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| environment-file: environment.yml | |
| extra-specs: | | |
| python=${{ matrix.python-version }} | |
| channels: conda-forge, defaults | |
| activate-environment: surface-coatings | |
| auto-update-conda: false | |
| auto-activate-base: false | |
| show-channel-urls: true | |
| - name: Install dependencies | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install -e . --no-deps | |
| conda list | |
| - name: Run tests | |
| shell: bash -l {0} | |
| run: | | |
| pytest -v --color=yes surface_coatings/tests/ |