lammps/.github/workflows/check-cpp23.yml at develop · schakrabortygithub/lammps · GitHub

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# GitHub action to build LAMMPS on Linux with gcc or clang and C++23
name: "Check for C++23 Compatibility"

on:
  push:
    branches:
      - develop
      - maintenance
  pull_request:
    branches:
      - develop

  workflow_dispatch:

concurrency:
  group: ${{ github.event_name }}-${{ github.workflow }}-${{ github.ref }}
  cancel-in-progress: ${{github.event_name == 'pull_request'}}

jobs:
  build:
    name: Build with C++23 support enabled
    if: ${{ github.repository == 'lammps/lammps' }}
    runs-on: ubuntu-latest
    strategy:
      max-parallel: 2
      matrix:
        idx: [ gcc, clang ]
    env:
      CCACHE_DIR: ${{ github.workspace }}/.ccache

    steps:
    - name: Checkout repository
      uses: actions/checkout@v6
      with:
        fetch-depth: 2

    - name: Install extra packages
      run: |
        sudo apt-get update
        sudo apt-get install -y ccache \
                                clang \
                                libcurl4-openssl-dev \
                                libeigen3-dev \
                                libfftw3-dev \
                                libomp-dev \
                                mold \
                                mpi-default-bin \
                                mpi-default-dev \
                                ninja-build \
                                python3-dev

    - name: Create Build Environment
      run: mkdir build

    - name: Set up ccache
      uses: actions/cache@v4
      with:
        path: ${{ env.CCACHE_DIR }}
        key: linux-cpp23-ccache-${{ matrix.idx }}-${{ github.sha }}
        restore-keys: linux-cpp23-ccache-${{ matrix.idx }}

    - name: Building LAMMPS via CMake
      shell: bash
      run: |
        ccache -z -M 3
        python3 -m venv linuxenv
        source linuxenv/bin/activate
        python3 -m pip install numpy
        python3 -m pip install pyyaml
        cmake -S cmake -B build \
              -C cmake/presets/most.cmake \
              -C cmake/presets/kokkos-openmp.cmake \
              -C cmake/presets/${{ matrix.idx }}.cmake \
              -D CMAKE_CXX_STANDARD=23 \
              -D CMAKE_CXX_COMPILER_LAUNCHER=ccache \
              -D CMAKE_C_COMPILER_LAUNCHER=ccache \
              -D CMAKE_BUILD_TYPE=Debug \
              -D CMAKE_CXX_FLAGS_DEBUG="-Og -g" \
              -D DOWNLOAD_POTENTIALS=off \
              -D FFT=KISS \
              -D BUILD_MPI=on \
              -D BUILD_SHARED_LIBS=on \
              -D BUILD_TOOLS=off \
              -D ENABLE_TESTING=off \
              -D MLIAP_ENABLE_ACE=on \
              -D MLIAP_ENABLE_PYTHON=off \
              -D PKG_AWPMD=on \
              -D PKG_GPU=on \
              -D GPU_API=opencl \
              -D PKG_KOKKOS=on \
              -D PKG_LATBOLTZ=on \
              -D PKG_MDI=on \
              -D PKG_MANIFOLD=on \
              -D PKG_ML-PACE=on \
              -D PKG_ML-RANN=off \
              -D PKG_MOLFILE=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