feat: support classification #61
Workflow file for this run
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| name: Tests | |
| on: | |
| push: | |
| branches: [ main ] | |
| pull_request: | |
| branches: [ main ] | |
| workflow_dispatch: | |
| jobs: | |
| tests: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: true | |
| matrix: | |
| python-version: ["3.9"] | |
| timeout-minutes: 30 | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| steps: | |
| - name: Check out repository | |
| uses: actions/checkout@v4 | |
| # - uses: pdm-project/setup-pdm@v3 | |
| # name: Set up PDM | |
| # with: | |
| # python-version: ${{ matrix.python-version }} | |
| # cache: true | |
| - name: Setup Mambaforge | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| miniforge-variant: Mambaforge | |
| miniforge-version: latest | |
| use-mamba: true | |
| python-version: ${{ matrix.python-version }} | |
| conda-channels: anaconda, conda-forge | |
| activate-environment: test | |
| - name: Install dependencies | |
| run: | | |
| mamba install -c conda-forge openbabel fftw -y | |
| pip install -e ".[dev]" | |
| pip install pyxtal | |
| pip install "numpy<2.0" | |
| - name: Test | |
| run: pytest tests |