Add libint2 symlink workaround to CI and document in README #17
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| name: CI | |
| on: | |
| push: | |
| branches: [main, master] | |
| pull_request: | |
| branches: [main, master] | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.ref }} | |
| cancel-in-progress: true | |
| defaults: | |
| run: | |
| shell: bash -l {0} # needed so conda is activated in every step | |
| jobs: | |
| lint: | |
| name: Lint (ruff) | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.11" | |
| - name: Install ruff | |
| run: pip install ruff | |
| - name: Run ruff | |
| run: ruff check . | |
| test: | |
| name: Tests (Python ${{ matrix.python-version }}) | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.10", "3.11", "3.12"] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up conda (miniforge) | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| miniforge-version: latest | |
| python-version: ${{ matrix.python-version }} | |
| activate-environment: pyxdm | |
| environment-file: environment.yaml | |
| auto-activate-base: false | |
| - name: Fix libint2 soname (horton compiled against libint2.so.2 / libint2.2.dylib) | |
| run: | | |
| if [ -f "$CONDA_PREFIX/lib/libint2.so" ] && [ ! -f "$CONDA_PREFIX/lib/libint2.so.2" ]; then | |
| ln -sf "$CONDA_PREFIX/lib/libint2.so" "$CONDA_PREFIX/lib/libint2.so.2" | |
| fi | |
| if [ -f "$CONDA_PREFIX/lib/libint2.dylib" ] && [ ! -f "$CONDA_PREFIX/lib/libint2.2.dylib" ]; then | |
| ln -sf "$CONDA_PREFIX/lib/libint2.dylib" "$CONDA_PREFIX/lib/libint2.2.dylib" | |
| fi | |
| - name: Install package + test dependencies | |
| run: pip install -e ".[test]" | |
| - name: Run tests with coverage | |
| run: pytest | |
| - name: Upload coverage to Codecov | |
| if: matrix.python-version == '3.11' | |
| uses: codecov/codecov-action@v4 | |
| with: | |
| files: coverage.xml | |
| fail_ci_if_error: false |