Skip to content
CI

Make flags for gradient evaluation more consistent #122

Sign in to view logs

Make flags for gradient evaluation more consistent

Make flags for gradient evaluation more consistent #122

Workflow file for this run

.github/workflows/build.yml at d7bf7a6
name: CI
on: [push, pull_request]
env:
BUILD_DIR: _build
PIP_PACKAGES: >-
meson
cmake
ninja
gcovr
numpy
pytest
MACOS_BASEKIT_URL: >-
https://registrationcenter-download.intel.com/akdlm/irc_nas/17969/m_BaseKit_p_2021.3.0.3043.dmg
MACOS_HPCKIT_URL: >-
https://registrationcenter-download.intel.com/akdlm/irc_nas/17890/m_HPCKit_p_2021.3.0.3226_offline.dmg
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: meson
build-type: coverage
compiler: gnu
version: 11
- os: windows-latest
build: meson
build-type: debug
compiler: msys
version: 10
- os: ubuntu-latest
build: meson
build-type: debug
compiler: intel
version: 2021
defaults:
run:
shell: ${{ matrix.compiler == 'msys' && 'msys2 {0}' || '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: ${{ contains(matrix.os, 'macos') && matrix.compiler == 'gnu' }}
run: |
brew install openblas
gfortran_path=$( 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++
echo "PKG_CONFIG_PATH=/usr/local/opt/openblas/lib/pkgconfig" >> $GITHUB_ENV
echo "LDFLAGS=-L/opt/homebrew/opt/openblas/lib" >> $GITHUB_ENV
echo "CPPFLAGS=-I/opt/homebrew/opt/openblas/include" >> $GITHUB_ENV
- 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 GCC (Windows)
if: ${{ contains(matrix.os, 'windows') && matrix.compiler == 'msys' }}
uses: msys2/setup-msys2@v2
with:
msystem: MINGW64
update: false
install: >-
git
mingw-w64-x86_64-python
mingw-w64-x86_64-python-pip
mingw-w64-x86_64-python-setuptools
mingw-w64-x86_64-gcc
mingw-w64-x86_64-gcc-fortran
mingw-w64-x86_64-openblas
mingw-w64-x86_64-lapack
mingw-w64-x86_64-cmake
mingw-w64-x86_64-meson
mingw-w64-x86_64-ninja
- 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: ${{ matrix.compiler == 'intel' }}
id: cache-install
uses: actions/cache@v2
with:
path: /opt/intel/oneapi
key: install-${{ 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: Install Intel BaseKit (OSX)
if: ${{ contains(matrix.os, 'macos') && contains(matrix.compiler, 'intel') && steps.cache-install.outputs.cache-hit != 'true' }}
run: |
curl --output ${{ env.OUT }} --url "$URL" --retry 5 --retry-delay 5
hdiutil attach ${{ env.OUT }}
if [ -z "$COMPONENTS" ]; then
sudo /Volumes/"$(basename "$URL" .dmg)"/bootstrapper.app/Contents/MacOS/bootstrapper -s --action install --eula=accept --continue-with-optional-error=yes --log-dir=.
installer_exit_code=$?
else
sudo /Volumes/"$(basename "$URL" .dmg)"/bootstrapper.app/Contents/MacOS/bootstrapper -s --action install --components="$COMPONENTS" --eula=accept --continue-with-optional-error=yes --log-dir=.
installer_exit_code=$?
fi
hdiutil detach /Volumes/"$(basename "$URL" .dmg)" -quiet
exit $installer_exit_code
env:
OUT: webimage-base.dmg
URL: ${{ env.MACOS_BASEKIT_URL }}
COMPONENTS: intel.oneapi.mac.mkl.devel
- name: Install Intel HPCKit (OSX)
if: ${{ contains(matrix.os, 'macos') && contains(matrix.compiler, 'intel') && steps.cache-install.outputs.cache-hit != 'true' }}
run: |
curl --output ${{ env.OUT }} --url "$URL" --retry 5 --retry-delay 5
hdiutil attach ${{ env.OUT }}
if [ -z "$COMPONENTS" ]; then
sudo /Volumes/"$(basename "$URL" .dmg)"/bootstrapper.app/Contents/MacOS/bootstrapper -s --action install --eula=accept --continue-with-optional-error=yes --log-dir=.
installer_exit_code=$?
else
sudo /Volumes/"$(basename "$URL" .dmg)"/bootstrapper.app/Contents/MacOS/bootstrapper -s --action install --components="$COMPONENTS" --eula=accept --continue-with-optional-error=yes --log-dir=.
installer_exit_code=$?
fi
hdiutil detach /Volumes/"$(basename "$URL" .dmg)" -quiet
exit $installer_exit_code
env:
OUT: webimage-hpc.dmg
URL: ${{ env.MACOS_HPCKIT_URL }}
COMPONENTS: all
- 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: Install build and test dependencies
if: ${{ contains(matrix.os, 'windows') }}
run: pip3 install meson==0.55
- name: Check gfortran version for meson build
if: ${{ matrix.build == 'meson' && matrix.compiler == 'gnu' }}
run: |
gfortran --version
which gfortran
- 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' || '' }}
${{ contains(matrix.os, 'macos') && '-Dlapack=openblas' || '' }}
- 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
run: ninja -C ${{ env.BUILD_DIR }}
- name: Run unit tests
if: ${{ matrix.build == 'meson' }}
run: |
meson test -C ${{ env.BUILD_DIR }} --print-errorlogs --no-rebuild
env:
OMP_NUM_THREADS: 1
MKL_NUM_THREADS: 1
- name: Run validation tests
if: ${{ matrix.build == 'meson' && ! contains(matrix.os, 'windows') }}
run: |
meson test -C ${{ env.BUILD_DIR }} --print-errorlogs --no-rebuild --suite multicharge --benchmark
env:
OMP_NUM_THREADS: 1
MKL_NUM_THREADS: 1
- name: Run unit tests
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
run: |
ninja -C ${{ env.BUILD_DIR }} install
echo "MCHRG_PREFIX=$PWD/_dist" >> $GITHUB_ENV
- name: Create package
if: ${{ matrix.build == 'meson' }}
run: |
tar cvf ${{ env.OUTPUT }} _dist
xz -T0 ${{ env.OUTPUT }}
echo "MCHRG_OUTPUT=${{ env.OUTPUT }}.xz" >> $GITHUB_ENV
env:
OUTPUT: multicharge-${{ matrix.compiler }}-${{ matrix.version }}-${{ matrix.os }}.tar
- name: Upload package
if: ${{ matrix.build == 'meson' && matrix.build-type != 'coverage' }}
uses: actions/upload-artifact@v2
with:
name: ${{ env.MCHRG_OUTPUT }}
path: ${{ env.MCHRG_OUTPUT }}
- name: Upload coverage report
if: ${{ matrix.build == 'meson' && matrix.build-type == 'coverage' }}
uses: codecov/codecov-action@v1