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build.yml
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name: CI
on: [push, pull_request]
env:
CI: "ON"
BUILD_DIR: _build
INSTALL_DIR: _install
jobs:
gcc-build:
runs-on: ${{ matrix.os }}
defaults:
run:
shell: bash -l {0}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest]
mpi: [nompi, openmpi]
config: [Debug]
steps:
- name: Checkout code
uses: actions/checkout@v4
- name: Set up miniforge
uses: conda-incubator/setup-miniconda@v3
with:
miniforge-version: latest
auto-activate-base: true
activate-environment: ""
- name: Install GCC (Linux)
run: mamba install c-compiler cxx-compiler fortran-compiler
- name: Enable MPI build
if: contains(matrix.mpi, 'openmpi') || contains(matrix.mpi, 'mpich')
run: echo "WITH_MPI=true" >> $GITHUB_ENV
- name: Disable MPI build
if: contains(matrix.mpi, 'nompi')
run: echo "WITH_MPI=false" >> $GITHUB_ENV
- name: Set Compiler
run: |
echo "FC=${CONDA_PREFIX}/bin/gfortran" >> $GITHUB_ENV
echo "CC=${CONDA_PREFIX}/bin/gcc" >> $GITHUB_ENV
- name: Install OpenMPI
if: contains(matrix.mpi, 'openmpi')
run: mamba install openmpi
- name: Install MPICH
if: contains(matrix.mpi, 'mpich')
run: mamba install mpich
- name: Install BLAS
run: mamba install libopenblas libopenblas-ilp64 openblas openblas-ilp64
- name: Install libxc
run: mamba install libxc=6.2.2
- name: Set libxc search path
run: echo "CMAKE_PREFIX_PATH=${CONDA_PREFIX}/" >> $GITHUB_ENV
- name: Install requirements (conda)
run: mamba install cmake fypp numpy scipy
- name: Configure build
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}
# intel-build:
# strategy:
# matrix:
# os: [ubuntu-latest]
# config: [RelWithDebInfo]
# runs-on: ${{ matrix.os }}
# env:
# FC: ifx
# CC: icx
# CMAKE_OPTIONS: >-
# -DCMAKE_BUILD_TYPE=${{ matrix.config }}
# -DFYPP_FLAGS='-DTRAVIS'
# -DWITH_MPI=false
# steps:
# - name: Checkout code
# uses: actions/checkout@v4
# - name: Setup Python
# uses: actions/setup-python@v4
# with:
# python-version: 3.x
# - name: Setup Intel compiler
# uses: rscohn2/setup-oneapi@v0
# with:
# components: |
# - name: Setup Intel environment
# run: |
# source /opt/intel/oneapi/setvars.sh
# printenv >> ${GITHUB_ENV}
# echo "FC=ifx" >> ${GITHUB_ENV}
# echo "CC=icx" >> ${GITHUB_ENV}
# - name: Compile and install libxc
# run: |
# git clone https://gitlab.com/libxc/libxc.git
# cd libxc/
# git checkout 6.2.2
# cmake -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_DIR} -DENABLE_FORTRAN=True -B ${BUILD_DIR} .
# cd ${BUILD_DIR}
# make -j2
# make install
# cd ../../
# - name: Set libxc search path
# run: |
# echo "CMAKE_PREFIX_PATH=./libxc/${BUILD_DIR}/${INSTALL_DIR}/" >> $GITHUB_ENV
# - name: Install requirements (pip)
# run: |
# pip3 install --upgrade pip
# pip3 install wheel
# pip3 install cmake fypp numpy scipy
# - name: Set extra CMake flags (Linux)
# run: |
# echo "CMAKE_OPTIONS=${CMAKE_OPTIONS}" >> $GITHUB_ENV
# - name: Configure build
# run: |
# cmake -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_DIR} -B ${BUILD_DIR} .
# - name: Build project
# run: cmake --build ${BUILD_DIR}
# - name: Run regression tests
# run: |
# pushd ${BUILD_DIR}
# ctest -j2 --output-on-failure
# popd
# - name: Install project
# run: |
# cmake --install ${BUILD_DIR}