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Moving the coordination number to mctc-lib #211

Moving the coordination number to mctc-lib

Moving the coordination number to mctc-lib #211

Workflow file for this run

name: CI
on: [push, pull_request]
env:
BUILD_DIR: _build
PIP_PACKAGES: >-
meson
cmake
ninja
gcovr
LINUX_INTEL_COMPONENTS: >-
intel-oneapi-compiler-fortran-2021.2.0
intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic-2021.2.0
intel-oneapi-mkl-2021.2.0
intel-oneapi-mkl-devel-2021.2.0
jobs:
build:
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest, macos-latest]
build: [meson, cmake]
build-type: [debug]
compiler: [gnu]
version: [12]
include:
- os: ubuntu-latest
build: fpm
build-type: debug
compiler: gnu
version: 12
- os: ubuntu-latest
build: meson
build-type: debug
compiler: gnu
version: 10
- os: ubuntu-latest
build: meson
build-type: coverage
compiler: gnu
version: 11
- os: ubuntu-latest
build: meson
build-type: debug
compiler: intel
version: 2021
defaults:
run:
shell: ${{ matrix.shell || 'bash' }}
env:
FC: ${{ matrix.compiler == 'intel' && 'ifort' || 'gfortran' }}
CC: ${{ matrix.compiler == 'intel' && 'icc' || 'gcc' }}
GCC_V: ${{ matrix.version }}
PYTHON_V: 3.9
OMP_NUM_THREADS: 1,2,1
steps:
- name: Checkout code
uses: actions/checkout@v4
- uses: actions/setup-python@v5
with:
python-version: ${{ env.PYTHON_V }}
- name: Link pre-installed GCC and FC (macOS)
if: ${{ contains(matrix.os, 'macos') && matrix.compiler == 'gnu' }}
run: |
gfortran_path=$( which gfortran-${{ env.GCC_V }} )
gcc_path=$( which gcc-${{ env.GCC_V }} )
gplusplus_path=$( which g++-${{ env.GCC_V }} )
export FC=$gfortran_path
export CC=$gcc_path
export CXX=$gplusplus_path
ln -s $gfortran_path /usr/local/bin/gfortran
ln -s $gcc_path /usr/local/bin/gcc
ln -s $gplusplus_path /usr/local/bin/g++
- name: Install GCC (Linux)
if: ${{ contains(matrix.os, 'ubuntu') && matrix.compiler == 'gnu' }}
run: |
sudo add-apt-repository ppa:ubuntu-toolchain-r/test
sudo apt-get update
sudo apt-get install -y gcc-${{ env.GCC_V}} gfortran-${{ env.GCC_V }}
sudo update-alternatives \
--install /usr/bin/gcc gcc /usr/bin/gcc-${{ env.GCC_V }} 100 \
--slave /usr/bin/gfortran gfortran /usr/bin/gfortran-${{ env.GCC_V }} \
--slave /usr/bin/gcov gcov /usr/bin/gcov-${{ env.GCC_V }}
- name: Install fpm
if: ${{ matrix.build == 'fpm' }}
uses: fortran-lang/setup-fpm@v5
with:
github-token: ${{ secrets.GITHUB_TOKEN }}
- name: Prepare for cache restore
if: ${{ matrix.compiler == 'intel' }}
run: |
sudo mkdir -p /opt/intel
sudo chown $USER /opt/intel
- name: Cache Intel install
if: ${{ matrix.compiler == 'intel' }}
id: cache-install
uses: actions/cache@v4
with:
path: /opt/intel/oneapi
key: install-${{ matrix.compiler }}-${{ matrix.version }}-${{ matrix.os }}
- name: Install Intel (Linux)
if: ${{ contains(matrix.os, 'ubuntu') && contains(matrix.compiler, 'intel') && steps.cache-install.outputs.cache-hit != 'true' }}
run: |
wget https://apt.repos.intel.com/intel-gpg-keys/${{ env.KEY }}
sudo apt-key add ${{ env.KEY }}
rm ${{ env.KEY }}
echo "deb https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
sudo apt-get update
sudo apt-get install ${{ env.PKG }}
env:
KEY: GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
PKG: ${{ env.LINUX_INTEL_COMPONENTS }}
- name: Setup Intel oneAPI environment
if: ${{ matrix.compiler == 'intel' }}
run: |
source /opt/intel/oneapi/setvars.sh
printenv >> $GITHUB_ENV
- name: Install build and test dependencies
if: ${{ ! contains(matrix.os, 'windows') }}
run: pip3 install ${{ env.PIP_PACKAGES }}
- name: Configure build (meson)
if: ${{ matrix.build == 'meson' }}
run: >-
meson setup ${{ env.BUILD_DIR }}
--buildtype=debug
--prefix=$PWD/_dist
--libdir=lib
--warnlevel=0
-Db_coverage=${{ env.COVERAGE }}
${{ env.MESON_ARGS }}
env:
COVERAGE: ${{ matrix.build-type == 'coverage' }}
MESON_ARGS: >-
${{ matrix.compiler == 'intel' && '-Dfortran_link_args=-qopenmp' || '' }}
- name: Configure build (CMake)
if: ${{ matrix.build == 'cmake' }}
run: >-
cmake -B${{ env.BUILD_DIR }}
-GNinja
-DCMAKE_BUILD_TYPE=Debug
-DCMAKE_INSTALL_PREFIX=$PWD/_dist
-DCMAKE_INSTALL_LIBDIR=lib
-DCMAKE_FORTRAN_COMPILER=${{ env.FC }}
- name: Build library (fpm)
if: ${{ matrix.build == 'fpm' }}
run: fpm build
- name: Build library
if: ${{ matrix.build != 'fpm' }}
run: ninja -C ${{ env.BUILD_DIR }}
- name: Run unit tests (fpm)
if: ${{ matrix.build == 'fpm' }}
run: fpm test
- name: Run unit tests (meson)
if: ${{ matrix.build == 'meson' }}
run: |
meson test -C ${{ env.BUILD_DIR }} --print-errorlogs --no-rebuild
- name: Run unit tests (ctest)
if: ${{ matrix.build == 'cmake' }}
run: |
ctest --output-on-failure --parallel 2
working-directory: ${{ env.BUILD_DIR }}
- name: Create coverage report
if: ${{ matrix.build == 'meson' && matrix.build-type == 'coverage' }}
run:
ninja -C ${{ env.BUILD_DIR }} coverage
- name: Install project
if: ${{ matrix.build != 'fpm' }}
run: |
ninja -C ${{ env.BUILD_DIR }} install
echo "MCTCLIB_PREFIX=$PWD/_dist" >> $GITHUB_ENV
- name: Create package
if: ${{ matrix.build == 'meson' }}
run: |
tar cvf ${{ env.OUTPUT }} _dist
xz -T0 ${{ env.OUTPUT }}
echo "MCTCLIB_OUTPUT=${{ env.OUTPUT }}.xz" >> $GITHUB_ENV
env:
OUTPUT: mctc-lib-${{ matrix.compiler }}-${{ matrix.version }}-${{ matrix.os }}.tar
- name: Upload package
if: ${{ matrix.build == 'meson' && matrix.build-type != 'coverage' }}
uses: actions/upload-artifact@v4
with:
name: ${{ env.MCTCLIB_OUTPUT }}
path: ${{ env.MCTCLIB_OUTPUT }}
- name: Upload coverage report
if: ${{ matrix.build == 'meson' && matrix.build-type == 'coverage' }}
uses: codecov/codecov-action@v4