Constant 4*pi*epsilon can now be set by user #54
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| name: n2p2-ci | |
| on: | |
| push: | |
| pull_request: | |
| branches: | |
| - master | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Install required system packages | |
| run: | | |
| # Docs | |
| # API docs with doxygen (built via makefile, needs cmake), | |
| # generating graphs with doxygen requires dot. | |
| sudo apt install cmake graphviz | |
| # Build | |
| # MPI | |
| sudo apt install openmpi-bin libopenmpi-dev | |
| # BLAS | |
| sudo apt install libblas3 libblas-dev | |
| # Eigen library | |
| sudo apt install libeigen3-dev | |
| # GSL library | |
| sudo apt install libgsl-dev | |
| # Tests | |
| # Boost Test for C++ testing | |
| sudo apt install libboost-test-dev libboost-filesystem-dev | |
| # Coverage for C++ | |
| sudo apt install lcov | |
| - name: Install required Python packages | |
| run: | | |
| # Docs | |
| pip install sphinx | |
| pip install sphinx_rtd_theme | |
| pip install breathe | |
| # pynnp | |
| pip install cython | |
| # python tests | |
| pip install pytest | |
| pip install pytest-cov | |
| pip install coverage==4.5.4 | |
| - name: Build n2p2 libraries and applications | |
| run: make MODE=test -j4 | |
| working-directory: ./src | |
| - name: Build documentation | |
| run: | | |
| # Pre-build doxygen only on 4 cores (-j hangs on Github Actions). | |
| cd doc/doxygen/ | |
| make CORES=4 doxygen | |
| cd ../.. | |
| # Now build the rest of the documentation. | |
| make doc | |
| # Prevent GitHub Jekyll to interfere with Sphinx theme. | |
| touch ../doc/sphinx/html/.nojekyll | |
| working-directory: ./src | |
| - name: Build LAMMPS with n2p2 support | |
| run: make MODE=test lammps-nnp | |
| working-directory: ./src | |
| - name: Run C++ tests and coverage | |
| run: | | |
| make cpp | |
| cd cpp | |
| make coverage | |
| rm *.gcda *.gcno | |
| working-directory: ./test | |
| - name: Build pynnp | |
| run: make pynnp MODE=test | |
| working-directory: ./src | |
| - name: Run python tests | |
| run: make python | |
| working-directory: ./test | |
| - name: Upload C++ coverage to Codecov | |
| uses: codecov/codecov-action@v2 | |
| with: | |
| files: test/cpp/tests.info | |
| flags: cpp | |
| verbose: true | |
| - name: Upload Python coverage to Codecov | |
| uses: codecov/codecov-action@v2 | |
| with: | |
| directory: test/python | |
| flags: python | |
| verbose: true | |
| - name: Deploy Github pages | |
| if: ${{ github.ref == 'refs/heads/master' }} | |
| uses: JamesIves/github-pages-deploy-action@v4.3.3 | |
| with: | |
| branch: gh-pages | |
| folder: doc/sphinx/html |