Fix imports #47
Workflow file for this run
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| # Author(s): Minsik Cho, Shaun Weatherly | |
| # Based on: https://docs.github.com/en/actions/use-cases-and-examples/building-and-testing/building-and-testing-python | |
| name: Run Unit Tests for quemb | |
| on: | |
| push: | |
| branches: [ "main" ] | |
| pull_request: | |
| branches: [ "main" ] | |
| permissions: | |
| contents: read | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ["3.9", "3.12"] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Prepare pip | |
| run: | | |
| python -m pip install --upgrade pip | |
| - uses: actions/cache@v4 | |
| with: | |
| path: ${{ env.pythonLocation }} | |
| key: ${{ env.pythonLocation }}-${{ hashFiles('setup.py') }}-${{ hashFiles('dev-requirements.txt') }} | |
| - name: Install dependencies | |
| run: | | |
| pip install --upgrade --upgrade-strategy eager pytest ruff | |
| if [ -f requirements.txt ]; then pip install --upgrade --upgrade-strategy eager -r requirements.txt; fi | |
| pip install git+https://github.com/pyscf/dmrgscf | |
| PYSCFHOME=$(pip show pyscf-dmrgscf | grep 'Location' | tr ' ' '\n' | tail -n 1) | |
| wget https://raw.githubusercontent.com/pyscf/dmrgscf/master/pyscf/dmrgscf/settings.py.example | |
| mv settings.py.example ${PYSCFHOME}/pyscf/dmrgscf/settings.py | |
| pip install . | |
| echo ${{ github.workspace }} > $(python -c "from distutils.sysconfig import get_python_lib; print(get_python_lib())")/quemb.pth | |
| - name: Check formatting | |
| run: | | |
| ruff format --diff | |
| - name: Static analysis | |
| run: | | |
| ruff check . || true # for the moment we want to report always report success | |
| - name: Test with pytest | |
| run: | | |
| cd tests | |
| QUEMB_SKIP_EXPENSIVE_TESTS=true pytest --doctest-modules --junitxml=junit/quemb-test-results_${{ matrix.python-version }}.xml | |
| - name: Upload pytest junit results | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: quemb-test-results_${{ matrix.python-version }} | |
| path: tests/junit/quemb-test-results_${{ matrix.python-version }}.xml |