feat: add cli scripts to quickly run a calculation #173
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| name: Build and Test with Mamba | |
| on: | |
| push: | |
| branches: | |
| - main | |
| pull_request: | |
| branches: | |
| - main | |
| jobs: | |
| build_and_test: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v3 | |
| - name: Set up Micromamba | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| micromamba-version: 'latest' | |
| environment-file: environment.yaml | |
| init-shell: >- | |
| bash | |
| cache-environment: true | |
| post-cleanup: 'all' | |
| - name: Install dependencies | |
| run: | | |
| micromamba run -n mattersim uv pip install -e . | |
| - name: Install test dependencies | |
| run: | | |
| micromamba run -n mattersim uv pip install -e ".[dev]" | |
| - name: Build extension | |
| run: | | |
| micromamba run -n mattersim python setup.py build_ext --inplace | |
| - name: Run tests | |
| run: | | |
| micromamba run -n mattersim pytest -s tests |