basictest_intelclassic.yml

name: basictest_intelclassic

on:
  push:
  pull_request:

jobs:
  build:
    runs-on: ubuntu-latest

    steps:
    - name: Checkout
      uses: actions/checkout@v4
      with:
        path: src

    - name: add oneAPI to apt
      run: |
        cd /tmp
        wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
        sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
        rm GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
        sudo add-apt-repository "deb https://apt.repos.intel.com/oneapi all main"

    - name: apt update
      run: sudo apt update

    - name: install oneAPI dpcpp compiler
      run: sudo apt install intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic

    - name: Configure CMake
      run: |
        source /opt/intel/oneapi/setvars.sh
        #NB: We could use
        #        -DCMAKE_CXX_COMPILER=icpx
        #        -DCMAKE_C_COMPILER=icx
        #But just because it seems to be something that might be useful. we do:
        export CC=$(which icc)
        export CXX=$(which icpc)
        cmake \
        -S ${{github.workspace}}/src \
        -B ${{github.workspace}}/build \
        -DCMAKE_BUILD_TYPE=Release \
        -DCMAKE_INSTALL_PREFIX=${{github.workspace}}/install \
        -DNCRYSTAL_ENABLE_EXAMPLES=ON \
        -DNCRYSTAL_BUILD_STRICT=ON

#Flags that we didn't need:
#        -DIntelDPCPP_DIR="/opt/intel/oneapi/compiler/latest/linux/cmake/SYCL"
#        -DNCRYSTAL_ENABLE_SETUPSH=ON
#        -DMKL_ROOT="/opt/intel/oneapi/mkl/latest"
#        -DTBB_ROOT="/opt/intel/oneapi/tbb/latest"

    - name: Build
      run: >
        source /opt/intel/oneapi/setvars.sh &&
        cmake
        --build ${{github.workspace}}/build
        --config Release

    - name: Install
      run: source /opt/intel/oneapi/setvars.sh && cmake --install ${{github.workspace}}/build

    - name: install other python packages
      run: sudo apt install python3-numpy

    - name: Tests with eval ncrystal-config setup
      run: |
        source /opt/intel/oneapi/setvars.sh
        set -eux
        eval $(${{github.workspace}}/install/bin/ncrystal-config --setup)
        ncrystal-config --summary
        nctool --test
        ncrystal-config --help
        ncrystal_example_c
        ncrystal_example_cpp
        ncrystal_example_py
        nctool --help
        nctool --dump 'Al_sg225.ncmat;dcutoff=1.5'
        python3 -c 'import NCrystal; NCrystal.test()'
        ncrystal_vdos2ncmat --help
        ncrystal_cif2ncmat --help
        ncrystal_ncmat2cpp --help
        ncrystal_hfg2ncmat --help
        ncrystal_verifyatompos --help
        #needs gemmi: ncrystal_cif2ncmat codid::9008460
        ncrystal_ncmat2hkl --help
        ncrystal_ncmat2hkl --format=laz 'Al_sg225.ncmat;temp=250K;dcutoff=0.75' -o test_Al.laz
        ncrystal_ncmat2hkl --format=lau 'Al_sg225.ncmat;temp=250K;dcutoff=0.75' -o test_Al.lau
        nctool -d ./test_Al.laz
        nctool -d ./test_Al.lau
        ncrystal_ncmat2cpp $(ncrystal-config --show=datadir)/Al_sg225.ncmat -o test.cpp
        cat test.cpp
        #NEEDS MATPLOTLIB: nctool --pdf Al_sg225.ncmat
        #Examples from README:
        cp ./src/examples/ncrystal_example_cpp.cc ./my_cpp_code.cpp
        cp ./src/examples/ncrystal_example_c.c ./my_c_code.c
        export LDFLAGS="${LDFLAGS:-} -Wl,-rpath,$(ncrystal-config --show libdir) $(ncrystal-config --show libpath)" &&
        export CFLAGS="${CFLAGS:-} -I$(ncrystal-config --show includedir)" &&
        export CXXFLAGS="${CXXFLAGS:-} -I$(ncrystal-config --show includedir)" &&
        cc -std=c11 ${LDFLAGS} ${CFLAGS} my_c_code.c -o my_c_app &&
        ./my_c_app &&
        c++ -std=c++17 ${LDFLAGS} ${CXXFLAGS} my_cpp_code.cpp -o my_cpp_app &&
        ./my_cpp_app &&
        echo "Custom compilation of downstream C/C++ code succeeded"
        eval $(ncrystal-config --unsetup)

#    - name: install oneAPI MKL library
#      run: |
#        sudo apt install intel-oneapi-mkl-devel

#TK    - name: Add Intel package sources
#TK      run: |
#TK        wget -O- https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB | gpg --dearmor | sudo tee /usr/share/keyrings/oneapi-archive-keyring.gpg > /dev/null
#TK        echo "deb [signed-by=/usr/share/keyrings/oneapi-archive-keyring.gpg] https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
#TK        sudo apt update
#TK
#TK    - name: Install Intel OneAPI Base Toolkit
#TK      run: |
#TK        sudo apt install intel-basekit