Remake directed line graph edge creation logic #278
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| name: Test | |
| on: | |
| push: | |
| branches: ["*"] | |
| pull_request: | |
| branches: [main] | |
| release: | |
| types: [published] | |
| workflow_dispatch: | |
| inputs: | |
| task: | |
| type: choice | |
| options: [tests, release] | |
| default: tests | |
| description: Only run tests or release a new version to PyPI after tests pass. | |
| jobs: | |
| test: | |
| strategy: | |
| max-parallel: 20 | |
| matrix: | |
| config: | |
| - os: ubuntu-latest | |
| python: "3.12" | |
| - os: macos-latest | |
| python: "3.10" | |
| runs-on: ${{ matrix.config.os }} | |
| env: | |
| PROTOCOL_BUFFERS_PYTHON_IMPLEMENTATION: "python" | |
| PMG_MAPI_KEY: ${{ secrets.PMG_MAPI_KEY }} | |
| DGLBACKEND: "pytorch" | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Install uv | |
| uses: astral-sh/setup-uv@v5 | |
| with: | |
| enable-cache: true | |
| cache-dependency-glob: "uv.lock" | |
| python-version: ${{ matrix.config.python }} | |
| - name: Virtual env | |
| run: uv venv --python ${{ matrix.config.python }} | |
| - name: Install latest DGL for Linux | |
| if: matrix.config.os == 'ubuntu-latest' | |
| run: uv pip install dgl==2.4.0 -f https://data.dgl.ai/wheels/torch-2.4/repo.html | |
| - name: Install dependencies | |
| run: | | |
| uv pip install -e . | |
| uv pip install pytest pytest-cov | |
| - name: pytest | |
| run: | | |
| uv run python -c "import dgl; print(dgl.__version__)" | |
| uv run python -c "import torch; print(torch.__version__)" | |
| uv run pytest --cov=matgl tests --color=yes | |
| - name: Upload coverage reports to Codecov | |
| uses: codecov/codecov-action@v4 | |
| env: | |
| CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }} | |
| release: | |
| if: github.event_name == 'release' || inputs.task == 'release' | |
| needs: test | |
| runs-on: ubuntu-latest | |
| permissions: | |
| # For pypi trusted publishing | |
| id-token: write | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.11 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.11" | |
| - name: Install latest DGL | |
| if: matrix.config.os == 'ubuntu-latest' | |
| run: | | |
| pip install dgl -f https://data.dgl.ai/wheels/torch-2.4/repo.html | |
| - name: Build | |
| run: | | |
| pip install build | |
| python -m build | |
| - name: Publish to PyPi | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| skip-existing: true | |
| verbose: true |