default jastrow #544
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| name: build | |
| on: [push] | |
| jobs: | |
| build: | |
| name: build and test | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| version: [3.8] | |
| steps: | |
| - name: Cancel Previous Runs | |
| uses: styfle/cancel-workflow-action@0.12.0 | |
| with: | |
| access_token: ${{ github.token }} | |
| - uses: actions/checkout@v4 | |
| - name: Setup conda | |
| uses: s-weigand/setup-conda@v1 | |
| with: | |
| update-conda: true | |
| python-version: ${{ matrix.version }} | |
| conda-channels: anaconda | |
| - name: Install essential | |
| run: | | |
| sudo apt update | |
| sudo apt install build-essential pandoc | |
| - name: Install conda packages | |
| run: | | |
| conda install -c anaconda cmake | |
| conda install rdkit mpi4py h5py pytorch==2.0.0 torchvision==0.15.0 cpuonly -c pytorch -c conda-forge | |
| conda install -c conda-forge libstdcxx-ng | |
| conda install -c anaconda gxx_linux-64 | |
| - name: Install the package | |
| run: python -m pip install .[test,hpc,doc] | |
| env: | |
| CONDA_PREFIX: /usr/share/miniconda | |
| # - name: Test with multithreading | |
| # env: | |
| # CONDA_PREFIX: /usr/share/miniconda | |
| # run: mpirun -np 2 coverage run -m pytest tests_hvd | |
| - name: Test with single thread | |
| env: | |
| CONDA_PREFIX: /usr/share/miniconda | |
| run: coverage run -m pytest tests | |
| - name: Combine all coverage results | |
| run: coverage combine | |
| - run: coverage report | |
| - name: Coveralls Parallel | |
| run: coveralls --service=github | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.github_token }} | |
| COVERALLS_FLAG_NAME: python-${{ matrix.version }} | |
| COVERALLS_PARALLEL: true | |
| # Standard drop-in approach that should work for most people. | |
| - uses: ammaraskar/sphinx-action@master | |
| with: | |
| docs-folder: "docs/" | |
| # Great extra actions to compose with: | |
| # Create an artifact of the html output. | |
| - uses: actions/upload-artifact@v1 | |
| with: | |
| name: DocumentationHTML | |
| path: docs/_build/html/ | |
| finish: | |
| needs: build | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Coveralls Finished | |
| uses: coverallsapp/github-action@master | |
| with: | |
| github-token: ${{ secrets.github_token }} | |
| parallel-finished: true | |
| # Publish built docs to gh-pages branch. | |
| # =============================== | |
| - name: Commit documentation changes | |
| run: | | |
| git clone https://github.com/NLESC-JCER/QMCTorch.git --branch gh-pages --single-branch gh-pages | |
| cp -r docs/_build/html/* gh-pages/ | |
| cd gh-pages | |
| touch .nojekyll | |
| git config --local user.email "action@github.com" | |
| git config --local user.name "GitHub Action" | |
| git add . | |
| git commit -m "Update documentation" -a || true | |
| # The above command will fail if no changes were present, so we ignore | |
| # that. | |
| - name: Push changes | |
| uses: ad-m/github-push-action@master | |
| with: | |
| branch: gh-pages | |
| directory: gh-pages | |
| github_token: ${{ secrets.GITHUB_TOKEN }} |