Merge pull request #4322 from stanmoore1/kk_update_4.4.0 #1
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| # GitHub action to build LAMMPS on Linux and run regression tests | |
| name: "Full Regression Test" | |
| on: | |
| push: | |
| branches: | |
| - develop | |
| workflow_dispatch: | |
| jobs: | |
| build: | |
| name: Build LAMMPS | |
| # restrict to official LAMMPS repository | |
| if: ${{ github.repository == 'lammps/lammps' }} | |
| runs-on: ubuntu-latest | |
| env: | |
| CCACHE_DIR: ${{ github.workspace }}/.ccache | |
| strategy: | |
| max-parallel: 8 | |
| matrix: | |
| idx: [ 0, 1, 2, 3, 4, 5, 6, 7 ] | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 2 | |
| show-progress: false | |
| - name: Install extra packages | |
| run: | | |
| sudo apt-get update | |
| sudo apt-get install -y ccache ninja-build libeigen3-dev \ | |
| libcurl4-openssl-dev python3-dev \ | |
| mpi-default-bin mpi-default-dev | |
| - name: Create Build Environment | |
| run: mkdir build | |
| - name: Set up ccache | |
| uses: actions/cache@v4 | |
| with: | |
| path: ${{ env.CCACHE_DIR }} | |
| key: linux-full-ccache-${{ github.sha }} | |
| restore-keys: linux-full-ccache- | |
| - name: Building LAMMPS via CMake | |
| shell: bash | |
| run: | | |
| ccache -z | |
| python3 -m venv linuxenv | |
| source linuxenv/bin/activate | |
| python3 -m pip install --upgrade pip | |
| python3 -m pip install numpy pyyaml junit_xml | |
| cmake -S cmake -B build \ | |
| -C cmake/presets/gcc.cmake \ | |
| -C cmake/presets/most.cmake \ | |
| -D CMAKE_CXX_COMPILER_LAUNCHER=ccache \ | |
| -D CMAKE_C_COMPILER_LAUNCHER=ccache \ | |
| -D BUILD_SHARED_LIBS=off \ | |
| -D DOWNLOAD_POTENTIALS=off \ | |
| -D PKG_MANIFOLD=on \ | |
| -D PKG_ML-PACE=on \ | |
| -D PKG_ML-RANN=on \ | |
| -D PKG_RHEO=on \ | |
| -D PKG_PTM=on \ | |
| -D PKG_PYTHON=on \ | |
| -D PKG_QTB=on \ | |
| -D PKG_SMTBQ=on \ | |
| -G Ninja | |
| cmake --build build | |
| ccache -s | |
| - name: Run Full Regression Tests | |
| shell: bash | |
| run: | | |
| source linuxenv/bin/activate | |
| python3 tools/regression-tests/run_tests.py \ | |
| --lmp-bin=build/lmp \ | |
| --config-file=tools/regression-tests/config_serial.yaml \ | |
| --examples-top-level=examples --analyze --num-workers=8 | |
| python3 tools/regression-tests/run_tests.py \ | |
| --lmp-bin=build/lmp \ | |
| --config-file=tools/regression-tests/config_serial.yaml \ | |
| --list-input=input-list-${{ matrix.idx }}.txt \ | |
| --output-file=output-${{ matrix.idx }}.xml \ | |
| --progress-file=progress-${{ matrix.idx }}.yaml \ | |
| --log-file=run-${{ matrix.idx }}.log | |
| tar -cvf full-regression-test-${{ matrix.idx }}.tar run-${{ matrix.idx }}.log progress-${{ matrix.idx }}.yaml output-${{ matrix.idx }}.xml | |
| - name: Upload artifacts | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: full-regression-test-artifact-${{ matrix.idx }} | |
| path: full-regression-test-${{ matrix.idx }}.tar | |
| merge: | |
| runs-on: ubuntu-latest | |
| needs: build | |
| steps: | |
| - name: Merge Artifacts | |
| uses: actions/upload-artifact/merge@v4 | |
| with: | |
| name: merged-full-regresssion-artifact | |
| pattern: full-regression-test-artifact-* | |