diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml index 261602ae..6757da40 100644 --- a/.github/workflows/build.yml +++ b/.github/workflows/build.yml @@ -21,7 +21,11 @@ jobs: matrix: os: [ubuntu-latest] mpi: [nompi, mpich] + libxc: [6, 7] config: [Debug] + exclude: + - mpi: nompi + libxc: 6 steps: - name: Checkout code @@ -61,43 +65,53 @@ jobs: - name: Install BLAS run: mamba install openblas libopenblas - - name: Install libxc + - name: Install libxc (6.2.2) + if: contains(matrix.libxc, '6') run: mamba install libxc=6.2.2 + - name: Install libxc (7.0.0) + if: contains(matrix.libxc, '7') + run: mamba install libxc=7.0.0 + - name: Set libxc search path run: echo "CMAKE_PREFIX_PATH=${CONDA_PREFIX}/" >> $GITHUB_ENV - name: Install requirements (conda) run: mamba install cmake fypp numpy scipy - - name: Configure build + - name: Configure build (-DTEST_MPI_PROCS=1) + if: contains(matrix.mpi, 'nompi') || contains(matrix.libxc, '6') run: | cmake -B ${BUILD_DIR} -DWITH_MPI=${WITH_MPI} \ -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_DIR} \ - -DCMAKE_BUILD_TYPE=${{ matrix.config }} . - - - name: Build project - run: cmake --build ${BUILD_DIR} - - - name: Run regression tests - run: | - pushd ${BUILD_DIR} - ctest -j2 --output-on-failure - popd - - - name: Configure build (TEST_MPI_PROCS=2) - if: contains(matrix.mpi, 'openmpi') || contains(matrix.mpi, 'mpich') - run: cmake -B ${BUILD_DIR} -DTEST_MPI_PROCS=2 . - - - name: Run regression tests (TEST_MPI_PROCS=2) - if: contains(matrix.mpi, 'openmpi') || contains(matrix.mpi, 'mpich') - run: | - pushd ${BUILD_DIR} - ctest -j1 --output-on-failure - popd - - - name: Install project - run: cmake --install ${BUILD_DIR} + -DCMAKE_BUILD_TYPE=${{ matrix.config }} -DTEST_MPI_PROCS=1 . + + # - name: Configure build (-DTEST_MPI_PROCS=2) + # if: !contains(matrix.mpi, 'nompi') && !contains(matrix.libxc, '6') + # run: | + # cmake -B ${BUILD_DIR} -DWITH_MPI=${WITH_MPI} \ + # -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_DIR} \ + # -DCMAKE_BUILD_TYPE=${{ matrix.config }} -DTEST_MPI_PROCS=2 . + + # - name: Build project + # run: cmake --build ${BUILD_DIR} + + # - name: Run regression tests (-j2) + # if: contains(matrix.mpi, 'nompi') || contains(matrix.libxc, '6') + # run: | + # pushd ${BUILD_DIR} + # ctest -j2 --output-on-failure + # popd + + # - name: Run regression tests (-j1) + # if: !contains(matrix.mpi, 'nompi') && !contains(matrix.libxc, '6') + # run: | + # pushd ${BUILD_DIR} + # ctest -j1 --output-on-failure + # popd + + # - name: Install project + # run: cmake --install ${BUILD_DIR} intel-build: