VQE supports initialization by computer #153
Workflow file for this run
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| name: Python Package using Conda | |
| on: [push, pull_request] | |
| jobs: | |
| build-linux: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| max-parallel: 5 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| with: | |
| submodules: 'true' | |
| - name: Install lcov | |
| run: sudo apt-get update && sudo apt-get install -y lcov | |
| - name: Set up Miniconda | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| auto-update-conda: true # Ensure conda is updated to the latest version | |
| miniforge-variant: "Mambaforge" | |
| - name: Create conda environment | |
| run: | | |
| source /usr/share/miniconda3/etc/profile.d/conda.sh | |
| conda env create --file environment.yml --name qforte_env | |
| echo "CONDA_ENV_NAME=qforte_env" >> $GITHUB_ENV | |
| - name: Run pre-commit on all files | |
| run: | | |
| source /usr/share/miniconda3/etc/profile.d/conda.sh | |
| conda activate $CONDA_ENV_NAME | |
| pre-commit run --all-files | |
| - name: Compile | |
| run: | | |
| source /usr/share/miniconda3/etc/profile.d/conda.sh | |
| conda activate $CONDA_ENV_NAME | |
| QFORTE_CODECOV=ON python setup.py develop | |
| - name: Test with pytest | |
| run: | | |
| source /usr/share/miniconda3/etc/profile.d/conda.sh | |
| conda activate $CONDA_ENV_NAME | |
| lcov --directory . --zerocounters | |
| cd tests | |
| pytest | |
| ls -la | |
| cd .. | |
| lcov --directory . --capture --output-file coverage.info | |
| lcov --remove coverage.info '/usr/*' --output-file coverage.info # filter system-files | |
| lcov --list coverage.info | |
| - name: Upload coverage reports to Codecov | |
| uses: codecov/codecov-action@v3 | |
| env: | |
| CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }} |