ci.yml

name: Build and run unittest with Intel oneAPI
on:
  push:
  pull_request:

# oneapi install adapted from the build_linux_apt_cpp of
# https://github.com/oneapi-src/oneapi-ci/blob/master/.github/workflows/build_all.yml

env:
  LINUX_CPP_COMPONENTS: intel-oneapi-dpcpp-cpp-compiler_intel-oneapi-compiler-fortran_intel-oneapi-mkl_intel-oneapi-mkl-devel_intel-oneapi-mpi_intel-oneapi-mpi-devel

jobs:
  ONEAPI:
    runs-on: ubuntu-latest
    defaults:
      run:
        shell: bash
    steps:
      - name: Checkout
        uses: actions/checkout@v3
      - name: Setup Intel oneAPI apt repo
        run: |
          # download the key to system keyring
          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
          # add signed entry to apt sources and configure the APT client to use Intel repository:
          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
          # --allow-unauthenticated to resolve Clearsigned file isn't valid, got 'NOSPLIT' error
          # when fetching https://packages.microsoft.com/ubuntu/22.04/prod
          # https://superuser.com/questions/1774745/kali-apt-get-update-fails-with-clearsigned-file-isnt-valid
          # https://superuser.com/questions/1331936/how-can-i-get-past-a-repository-is-not-signed-message-when-attempting-to-upgr
          sudo apt-get update --allow-unauthenticated -o Dir::Etc::sourcelist="sources.list.d/oneAPI.list" -o APT::Get::List-Cleanup="0"
      - name: Collect apt dependencies
        run: |
          echo "$LINUX_CPP_COMPONENTS" | sed "s/_/ /g" | xargs -n 1 apt-cache depends | tee depends.txt
      - name: Cache install
        id: cache-install
        uses: actions/cache@v3
        with:
          path: /opt/intel/oneapi/
          key: install-${{ env.LINUX_CPP_COMPONENTS }}-${{ hashFiles('**/depends.txt') }}
      - name: Install build-essential and cmake
        run: sudo apt-get install -y build-essential cmake
      - name: Install python dependency
        run: |
          pip install --user pytest scipy
          cd thirdparty/greenX/python && python setup.py install --verbose --user
      - name: Install tools including oneAPI
        if: steps.cache-install.outputs.cache-hit != 'true'
        run: |
          sudo apt-get install -y $(echo "$LINUX_CPP_COMPONENTS" | sed "s/_/ /g")
      - name: Initialize and update submodules recursively
        run: git submodule update --init --recursive
      - name: Check environment
        run: |
          echo -n "Size of /opt/intel/oneapi/: " && du -csh /opt/intel/oneapi
          echo "PATH: $PATH"
          which pytest
          echo "PYTHONPATH: $PYTHONPATH"
      - name: Build/test LibRPA without LibRI
        run: |
          source /opt/intel/oneapi/setvars.sh
          export BUILDDIR="build"
          CXX=mpiicpx FC=ifx cmake -DLIBRPA_USE_LIBRI=OFF -DBUILD_SHARED_LIBS=ON -B $BUILDDIR -DCMAKE_BUILD_TYPE=Debug -DENABLE_LIBRPA_FORTRAN_BIND=OFF -DENABLE_LIBRPA_TEST=ON -DENABLE_GREENX_CTEST=OFF
          cmake --build $BUILDDIR -j 2
          cmake --build $BUILDDIR --target test
      - name: Build/test LibRPA with LibRI
        run: |
          source /opt/intel/oneapi/setvars.sh
          export BUILDDIR="build_libri"
          CXX=mpiicpx FC=ifx cmake -DLIBRPA_USE_LIBRI=ON -DBUILD_SHARED_LIBS=ON -B $BUILDDIR -DCMAKE_BUILD_TYPE=Debug -DENABLE_LIBRPA_FORTRAN_BIND=OFF -DENABLE_LIBRPA_TEST=ON
          cmake --build $BUILDDIR -j 2
          cmake --build $BUILDDIR --target test
          cd regression_tests && ./run_regression.py full ../build_libri/chi0_main.exe -d workspace_libri_np4 --use-libri -n 4 | tee test_libri_np4.log
      - name: Build Fortran binding (with LibRI), static library, and binding test
        run: |
          source /opt/intel/oneapi/setvars.sh
          export BUILDDIR="build_fortran_bind"
          CXX=mpiicpx FC=mpiifx cmake -DLIBRPA_USE_LIBRI=ON -DBUILD_SHARED_LIBS=OFF -B $BUILDDIR -DCMAKE_BUILD_TYPE=Debug -DENABLE_LIBRPA_FORTRAN_BIND=ON -DENABLE_LIBRPA_TEST=ON -DENABLE_LIBRPA_CPP_TEST=OFF -DENABLE_GREENX_CTEST=OFF
          cmake --build $BUILDDIR -j 2
          cmake --build $BUILDDIR --target test
      - name: Save last test log for check
        if: always()
        uses: actions/upload-artifact@v4
        with:
          name: save-last-test
          path: |
            build/Testing/Temporary/LastTest.log
            build_libri/Testing/Temporary/LastTest.log
            regression_tests/test_libri_np4.log
            regression_tests/workspace_libri_np4/testcases/*/librpa/librpa.out
            regression_tests/workspace_libri_np4/testcases/*/librpa/librpa.err
            regression_tests/workspace_libri_np4/testcases/*/librpa/*.dat