Add common solvent aliases to data.f90 #77
Workflow file for this run
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| name: CI | |
| on: [push, pull_request] | |
| env: | |
| BUILD_DIR: _build | |
| jobs: | |
| gcc-meson-build: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macos-latest, ubuntu-latest] | |
| fc: [gfortran-11] | |
| cc: [gcc-11] | |
| include: | |
| - os: ubuntu-latest | |
| fc: gfortran-9 | |
| cc: gcc-9 | |
| - os: ubuntu-latest | |
| fc: gfortran-10 | |
| cc: gcc-10 | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v2 | |
| - name: Setup Python | |
| uses: actions/setup-python@v1 | |
| with: | |
| python-version: 3.x | |
| - name: Install OpenBLAS (OSX) | |
| if: ${{ contains(matrix.os, 'macos') }} | |
| run: | | |
| brew install openblas | |
| echo "PKG_CONFIG_PATH=/usr/local/opt/openblas/lib/pkgconfig" >> $GITHUB_ENV | |
| - name: Install meson | |
| run: pip3 install meson==0.62.0 ninja cmake | |
| - name: Configure build | |
| run: >- | |
| meson setup ${{ env.BUILD_DIR }} | |
| --buildtype=release | |
| ${{ env.MESON_ARGS }} | |
| env: | |
| FC: ${{ matrix.fc }} | |
| CC: ${{ matrix.cc }} | |
| MESON_ARGS: ${{ contains(matrix.os, 'macos') && '-Dlapack=openblas' || '-Dlapack=netlib' }} | |
| - name: Build project | |
| run: meson compile -C ${{ env.BUILD_DIR }} | |
| - name: Run unit tests | |
| run: meson test -C ${{ env.BUILD_DIR }} --print-errorlogs --no-rebuild -t 120 --suite cpx | |
| intel-meson-build: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest] | |
| fc: [ifort] | |
| cc: [icc] | |
| env: | |
| FC: ${{ matrix.fc }} | |
| CC: ${{ matrix.cc }} | |
| APT_PACKAGES: >- | |
| intel-oneapi-compiler-fortran | |
| intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic | |
| intel-oneapi-mkl | |
| intel-oneapi-mkl-devel | |
| asciidoctor | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v2 | |
| - name: Setup Python | |
| uses: actions/setup-python@v1 | |
| with: | |
| python-version: 3.x | |
| - run: pip3 install meson ninja --user | |
| - name: Add Intel repository | |
| if: contains(matrix.os, 'ubuntu') | |
| run: | | |
| wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB | |
| sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB | |
| rm GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB | |
| echo "deb https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list | |
| sudo apt-get update | |
| - name: Install Intel oneAPI compiler | |
| if: contains(matrix.os, 'ubuntu') | |
| run: | | |
| sudo apt-get install ${APT_PACKAGES} | |
| source /opt/intel/oneapi/setvars.sh | |
| source /opt/intel/oneapi/compiler/2024.0/env/vars.sh | |
| printenv >> $GITHUB_ENV | |
| - name: Configure meson build | |
| run: >- | |
| meson setup ${{ env.BUILD_DIR }} | |
| --prefix=/ --libdir=lib | |
| -Dfortran_link_args="-lifcoremt -static" | |
| -Ddefault_library=static | |
| -Dlapack=mkl | |
| - name: Build project | |
| run: ninja -C ${{ env.BUILD_DIR }} | |
| - name: Run unit tests | |
| run: >- | |
| meson test -C ${{ env.BUILD_DIR }} | |
| --print-errorlogs | |
| --num-processes 1 | |
| --no-rebuild | |
| --suite cpx | |
| -t 12 | |
| gcc-cmake-build: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest] | |
| fc: [gfortran-10] | |
| cc: [gcc-10] | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v3 | |
| - name: Setup Python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: 3.x | |
| - name: Install CMake | |
| run: pip3 install ninja cmake==3.26.4 | |
| - name: Configure build | |
| run: cmake -B ${{ env.BUILD_DIR }} -G Ninja | |
| env: | |
| FC: ${{ matrix.fc }} | |
| CC: ${{ matrix.cc }} | |
| - name: Build project | |
| run: cmake --build ${{ env.BUILD_DIR }} | |
| - name: Run unit tests | |
| run: ctest --parallel --output-on-failure -R cpcmx | |
| working-directory: ${{ env.BUILD_DIR }} | |
| env: | |
| OMP_NUM_THREADS: 2,1 |