extended LAMMPS commands support #10
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| name: CI | |
| on: | |
| push: | |
| branches: | |
| - master | |
| pull_request: | |
| branches: | |
| - master | |
| jobs: | |
| CI: | |
| strategy: | |
| matrix: | |
| distro: ['ubuntu:latest'] | |
| cxx: ['g++', 'clang++'] | |
| backend: ['SERIAL', 'OPENMP'] | |
| cmake_build_type: ['Debug', 'Release'] | |
| kokkos_ver: ['4.3.01'] | |
| arborx: ['ArborX', 'NoArborX'] | |
| nnp: ['ON', 'OFF'] | |
| layout: ['1'] | |
| vector: ['1'] | |
| layout_nnp: ['1'] | |
| vector_nnp: ['1'] | |
| include: | |
| - distro: 'ubuntu:latest' | |
| cxx: 'g++' | |
| openmp: 'ON' | |
| cmake_build_type: 'Release' | |
| kokkos_ver: '4.3.01' | |
| arborx: 'NoArborX' | |
| nnp: 'OFF' | |
| layout: '2' | |
| vector: '64' | |
| layout_nnp: '1' | |
| vector_nnp: '1' | |
| - distro: 'ubuntu:latest' | |
| cxx: 'g++' | |
| openmp: 'ON' | |
| cmake_build_type: 'Release' | |
| kokkos_ver: '4.3.01' | |
| arborx: 'NoArborX' | |
| nnp: 'ON' | |
| layout: '6' | |
| vector: '32' | |
| layout_nnp: '3' | |
| vector_nnp: '32' | |
| - distro: 'ubuntu:latest' | |
| cxx: 'g++' | |
| openmp: 'ON' | |
| cmake_build_type: 'Release' | |
| kokkos_ver: '4.3.01' | |
| arborx: 'NoArborX' | |
| nnp: 'OFF' | |
| layout: '6' | |
| vector: '"1;8;32;1;8;32"' | |
| layout_nnp: '3' | |
| vector_nnp: '"32;8;1"' | |
| runs-on: ubuntu-20.04 | |
| container: ghcr.io/ecp-copa/ci-containers/${{ matrix.distro }} | |
| steps: | |
| - name: Checkout kokkos | |
| uses: actions/checkout@v3 | |
| with: | |
| repository: kokkos/kokkos | |
| ref: ${{ matrix.kokkos_ver }} | |
| path: kokkos | |
| - name: Build kokkos | |
| working-directory: kokkos | |
| run: | | |
| cmake -B build \ | |
| -DCMAKE_INSTALL_PREFIX=$HOME/kokkos \ | |
| -DKokkos_ENABLE_OPENMP=${{ matrix.openmp }} \ | |
| -DCMAKE_CXX_COMPILER=${{ matrix.cxx }} \ | |
| -DKokkos_ENABLE_HWLOC=ON \ | |
| -DCMAKE_BUILD_TYPE=${{ matrix.cmake_build_type }} | |
| cmake --build build --parallel 2 | |
| cmake --install build | |
| - name: Checkout arborx | |
| if: ${{ matrix.arborx == 'ArborX' }} | |
| uses: actions/checkout@v3 | |
| with: | |
| repository: arborx/ArborX | |
| ref: v1.4.1 | |
| path: arborx | |
| - name: Build arborx | |
| if: ${{ matrix.arborx == 'ArborX' }} | |
| working-directory: arborx | |
| run: | | |
| cmake -B build \ | |
| -DCMAKE_PREFIX_PATH=${HOME}/kokkos \ | |
| -DCMAKE_INSTALL_PREFIX=$HOME/arborx \ | |
| -DCMAKE_CXX_COMPILER=${{ matrix.cxx }} \ | |
| -DCMAKE_BUILD_TYPE=${{ matrix.cmake_build_type }} | |
| cmake --build build --parallel 2 | |
| cmake --install build | |
| - name: Checkout ALL | |
| run: | | |
| git clone --depth 1 --branch master https://gitlab.jsc.fz-juelich.de/SLMS/loadbalancing ALL | |
| - name: Build ALL | |
| working-directory: ALL | |
| run: | | |
| cmake -B build -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX=$HOME/ALL | |
| cmake --build build --parallel 2 | |
| cmake --install build | |
| - name: Checkout Cabana | |
| uses: actions/checkout@v3 | |
| with: | |
| repository: ECP-CoPA/Cabana | |
| ref: 0.6.1 | |
| path: cabana | |
| - name: Build Cabana | |
| working-directory: cabana | |
| run: | | |
| cmake -B build \ | |
| -DCMAKE_INSTALL_PREFIX=$HOME/Cabana \ | |
| -DMPIEXEC_MAX_NUMPROCS=2 -DMPIEXEC_PREFLAGS="--oversubscribe" \ | |
| -DCMAKE_PREFIX_PATH="$HOME/kokkos;$HOME/arborx;$HOME/ALL" \ | |
| -DCMAKE_CXX_COMPILER=${{ matrix.cxx }} \ | |
| -DCMAKE_BUILD_TYPE=${{ matrix.cmake_build_type }} | |
| cmake --build build --parallel 2 | |
| cmake --install build | |
| - name: Checkout n2p2 | |
| if: ${{ matrix.nnp == 'ON' }} | |
| uses: actions/checkout@v3 | |
| with: | |
| repository: CompPhysVienna/n2p2 | |
| ref: v2.0.1 | |
| path: n2p2 | |
| - name: Build n2p2 | |
| if: ${{ matrix.nnp == 'ON' }} | |
| working-directory: n2p2/src | |
| run: | | |
| mkdir -p $HOME/n2p2/include | |
| mkdir -p $HOME/n2p2/lib | |
| make libnnpif INTERFACES=CabanaMD PROJECT_INCLUDE=$HOME/n2p2/include PROJECT_LIB=$HOME/n2p2/lib | |
| - name: Checkout CabanaMD | |
| uses: actions/checkout@v3 | |
| - name: Build CabanaMD | |
| run: | | |
| cmake -B build \ | |
| -DCMAKE_INSTALL_PREFIX=$HOME/CabanaMD \ | |
| -DMPIEXEC_MAX_NUMPROCS=2 -DMPIEXEC_PREFLAGS="--oversubscribe" \ | |
| -DCMAKE_CXX_COMPILER=${{ matrix.cxx }} \ | |
| -DCMAKE_CXX_FLAGS="-Wall -Wextra -pedantic -Werror" \ | |
| -DCMAKE_PREFIX_PATH="$HOME/Cabana" \ | |
| -DCabanaMD_ENABLE_TESTING=ON \ | |
| -DCabanaMD_LAYOUT=${{ matrix.layout }} \ | |
| -DCabanaMD_VECTORLENGTH=${{ matrix.vector }} \ | |
| -DCabanaMD_ENABLE_NNP=${{ matrix.nnp }} \ | |
| -DCabanaMD_ENABLE_LB=ON \ | |
| -DN2P2_DIR=$HOME/n2p2 \ | |
| -DCabanaMD_LAYOUT_NNP=${{ matrix.layout_nnp }} \ | |
| -DCabanaMD_VECTORLENGTH_NNP=${{ matrix.vector_nnp }} | |
| cmake --build build --parallel 2 | |
| CTEST_OUTPUT_ON_FAILURE=1 cmake --build build --target test | |
| cmake --install build |