diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml index 501fbe06..3c73e92b 100644 --- a/.github/workflows/build.yml +++ b/.github/workflows/build.yml @@ -22,22 +22,21 @@ jobs: steps: - name: Checkout code - uses: actions/checkout@v3 + uses: actions/checkout@v4 - - name: Set up python - uses: actions/setup-python@v4 + - name: Set up miniforge + uses: conda-incubator/setup-miniconda@v3 with: - python-version: '3.x' + miniforge-version: latest + + # - name: Set up python + # uses: actions/setup-python@v4 + # with: + # python-version: '3.x' - name: Install GCC (Linux) run: | - sudo add-apt-repository ppa:ubuntu-toolchain-r/test - sudo apt-get update - sudo apt-get install -y gcc-${{ matrix.version}} gfortran-${{ matrix.version }} - sudo update-alternatives \ - --install /usr/bin/gcc gcc /usr/bin/gcc-${{ matrix.version }} 100 \ - --slave /usr/bin/gfortran gfortran /usr/bin/gfortran-${{ matrix.version }} \ - --slave /usr/bin/gcov gcov /usr/bin/gcov-${{ matrix.version }} + mamba install c-compiler cxx-compiler fortran-compiler - name: Enable MPI build if: contains(matrix.mpi, 'openmpi') || contains(matrix.mpi, 'mpich') @@ -47,37 +46,27 @@ jobs: if: contains(matrix.mpi, 'nompi') run: echo "WITH_MPI=false" >> $GITHUB_ENV - - name: Set Compiler - run: | - echo "FC=gfortran" >> $GITHUB_ENV - echo "CC=gcc" >> $GITHUB_ENV + # - name: Set Compiler + # run: | + # echo "FC=gfortran" >> $GITHUB_ENV + # echo "CC=gcc" >> $GITHUB_ENV - name: Install OpenMPI if: contains(matrix.mpi, 'openmpi') - run: | - sudo apt-get update - sudo apt-get install libopenmpi-dev + run: mamba install openmpi openmpi-mpicc openmpi-mpicxx openmpi-mpifort - name: Install MPICH if: contains(matrix.mpi, 'mpich') - run: | - sudo apt-get update - sudo apt-get install mpich + run: mamba install mpich mpich-mpicc mpich-mpicxx mpich-mpifort - name: Compile and Install libXC - run: | - git clone https://gitlab.com/libxc/libxc.git - cd libxc/ - git checkout 6.2.2 - cmake -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_DIR} -DENABLE_FORTRAN=True -B ${BUILD_DIR} . - cd ${BUILD_DIR} - make -j2 - make install - cd ../../ + run: mamba install libxc=6.2.2 - name: Set libXC search path run: | - echo "CMAKE_PREFIX_PATH=./libxc/${BUILD_DIR}/${INSTALL_DIR}/" >> $GITHUB_ENV + mamba activate + echo "${CONDA_PREFIX}" + echo "CMAKE_PREFIX_PATH=${CONDA_PREFIX}/" >> $GITHUB_ENV - name: Install requirements (pip) run: | @@ -135,7 +124,7 @@ jobs: steps: - name: Checkout code - uses: actions/checkout@v3 + uses: actions/checkout@v4 - name: Setup Python uses: actions/setup-python@v4