update 3.23.4 #3
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| # Public smoke test for MLatom — "does the package import cleanly". | |
| # | |
| # Runs on every push to main and every pull request. It installs the minimal | |
| # eager-import dependencies (verified from a clean environment) and imports | |
| # MLatom on Linux across the supported Python versions. Heavy backends (torch, | |
| # dftd4, Gaussian, ORCA, …) and actual calculations are validated separately. | |
| name: CI | |
| on: | |
| push: | |
| branches: [main] | |
| pull_request: | |
| workflow_dispatch: | |
| env: | |
| MLATOM_NO_VERSION_CHECK: "1" # do not phone home to PyPI during CI | |
| jobs: | |
| import-smoke: | |
| name: import (py${{ matrix.python-version }}) | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.9", "3.10", "3.11"] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| # The dependencies `import mlatom` actually needs at load time. | |
| - name: Install eager-import dependencies | |
| run: python -m pip install --upgrade pip numpy scipy joblib h5py requests tqdm psutil | |
| - name: Import MLatom | |
| run: python -c "import mlatom; print('MLatom', mlatom.__version__)" |