Install gcc and libxc from conda-forge

vanderhe · Dec 3, 2024 · 2790ac8 · 2790ac8
1 parent 0571c45
commit 2790ac8
Showing 1 changed file with 20 additions and 32 deletions.
diff --git 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 +46,26 @@ 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
+        echo $CONDA_PREFIX
+        echo "CMAKE_PREFIX_PATH=${CONDA_PREFIX}/" >> $GITHUB_ENV
 
     - name: Install requirements (pip)
       run: |
@@ -135,7 +123,7 @@ jobs:
 
     steps:
     - name: Checkout code
-      uses: actions/checkout@v3
+      uses: actions/checkout@v4
 
     - name: Setup Python
       uses: actions/setup-python@v4