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Migrate sktool's setup.cfg to pyproject.toml #137

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Migrate sktool's setup.cfg to pyproject.toml

Migrate sktool's setup.cfg to pyproject.toml #137

Workflow file for this run

.github/workflows/build.yml at 14f0820
name: CI
on: [push, pull_request]
env:
CI: "ON"
BUILD_DIR: _build
INSTALL_DIR: _install
jobs:
gcc-build:
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest]
config: [Debug]
version: [13]
steps:
- name: Checkout code
uses: actions/checkout@v3
- name: Set up python
uses: actions/setup-python@v4
with:
python-version: '3.x'
- name: Install GCC (Linux)
run: |
sudo add-apt-repository ppa:ubuntu-toolchain-r/test
sudo apt-get update
sudo apt-get install -y gcc-${{ matrix.version}} gfortran-${{ matrix.version }}
sudo update-alternatives \
--install /usr/bin/gcc gcc /usr/bin/gcc-${{ matrix.version }} 100 \
--slave /usr/bin/gfortran gfortran /usr/bin/gfortran-${{ matrix.version }} \
--slave /usr/bin/gcov gcov /usr/bin/gcov-${{ matrix.version }}
- name: Set Compiler
run: |
echo "FC=gfortran" >> $GITHUB_ENV
echo "CC=gcc" >> $GITHUB_ENV
- name: Compile and Install libXC
run: |
git clone https://gitlab.com/libxc/libxc.git
cd libxc/
git checkout 6.2.2
cmake -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_DIR} -DENABLE_FORTRAN=True -B ${BUILD_DIR} .
cd ${BUILD_DIR}
make -j 2
make install
cd ../../
- name: Set libXC search path
run: |
echo "CMAKE_PREFIX_PATH=./libxc/${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: Configure build
run: |
cmake -B ${BUILD_DIR} -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_DIR} -DCMAKE_BUILD_TYPE=Debug .
- name: Build project
run: cmake --build ${BUILD_DIR}
- name: Run regression tests
run: |
pushd ${BUILD_DIR}
ctest -j 2 --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'
steps:
- name: Checkout code
uses: actions/checkout@v3
- name: Setup Python
uses: actions/setup-python@v4
with:
python-version: 3.x
- name: Setup Intel compiler
uses: rscohn2/setup-oneapi@v0
with:
components: |
icx@2024.0.0
ifx@2024.0.0
mkl@2024.0.0
- 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 ${BUILD_DIR}
make -j 2
make install
cd ../../
- name: Set libXC search path
run: |
echo "CMAKE_PREFIX_PATH=./libxc/${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 -j 2 --output-on-failure
popd
- name: Install project
run: |
cmake --install ${BUILD_DIR}