v0.2.0 #25
Workflow file for this run
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| name: Continuous Integration | |
| on: | |
| push: | |
| branches: | |
| - master | |
| pull_request: | |
| branches: | |
| - master | |
| jobs: | |
| build-linux: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.10' | |
| - name: Add conda to system path | |
| run: | | |
| # $CONDA is an environment variable pointing to the root of the miniconda directory | |
| echo $CONDA/bin >> $GITHUB_PATH | |
| - name: Install dependencies | |
| shell: bash -l {0} | |
| run: | | |
| conda install python=3.10 | |
| conda install -c psi4 psi4 | |
| conda install -c conda-forge jax | |
| conda install -c conda-forge jaxlib | |
| conda install -c conda-forge pybind11 | |
| conda install -c conda-forge eigen | |
| conda install -c conda-forge libint | |
| conda install -c conda-forge h5py | |
| pip install -e . | |
| - name: Build integrals | |
| shell: bash -l {0} | |
| run: | | |
| cd $GITHUB_WORKSPACE/quax/integrals | |
| make | |
| cd $GITHUB_WORKSPACE | |
| - name: Test with pytest | |
| run: | | |
| conda install pytest | |
| echo "PYTHONPATH=${GITHUB_WORKSPACE}" >> $GITHUB_ENV | |
| echo $GITHUB_WORKSPACE >> $GITHUB_PATH | |
| pytest |