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Remove superfluous #:endif directive #150

Remove superfluous #:endif directive

Remove superfluous #:endif directive #150

Workflow file for this run

name: CI
on: [push, pull_request]
env:
CI: "ON"
HOMEBREW_NO_ANALYTICS: "ON"
HOMEBREW_NO_AUTO_UPDATE: "ON"
HOMEBREW_NO_BOTTLE_SOURCE_FALLBACK: "ON"
HOMEBREW_NO_GITHUB_API: "ON"
HOMEBREW_NO_INSTALL_CLEANUP: "ON"
BUILD_DIR: _build
INSTALL_DIR: _install
jobs:
gcc-build:
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest, macos-latest]
config: [Debug]
version: [11]
steps:
- name: Checkout code
uses: actions/checkout@v3
- name: Set up python
uses: actions/setup-python@v4
with:
python-version: '3.x'
# Note: xcode version 14.0 (default on macos-latest @ 2022-11-23) fails to link gfortran compiled
# code. Therefore, 14.1 is selected below (which seems to be installed.)
- name: Install GCC (OSX)
if: ${{ contains(matrix.os, 'macos') }}
run: |
brew install gcc@${{ matrix.version }} openblas
ln -s /usr/local/bin/gfortran-${{ matrix.version }} /usr/local/bin/gfortran
ln -s /usr/local/bin/gcc-${{ matrix.version }} /usr/local/bin/gcc
ln -s /usr/local/bin/g++-${{ matrix.version }} /usr/local/bin/g++
echo "PKG_CONFIG_PATH=/usr/local/opt/openblas/lib/pkgconfig" >> $GITHUB_ENV
xcversion select 14.1
- name: Install GCC (Linux)
if: ${{ contains(matrix.os, 'ubuntu') }}
run: |
sudo add-apt-repository ppa:ubuntu-toolchain-r/test
sudo apt-get update
sudo apt-get install -y gcc-${{ 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 (Linux)
if: contains(matrix.os, 'ubuntu')
run: |
echo "FC=gfortran" >> $GITHUB_ENV
echo "CC=gcc" >> $GITHUB_ENV
- name: Set Compiler (OSX)
if: contains(matrix.os, 'macos')
run: |
echo "FC=gfortran-${{ matrix.version }}" >> $GITHUB_ENV
echo "CC=gcc-${{ matrix.version }}" >> $GITHUB_ENV
- name: Compile and Install libXC
run: |
git clone https://gitlab.com/libxc/libxc.git
cd libxc/
git checkout 6.1.0
FC=gfortran CC=gcc cmake -H. -B ${BUILD_DIR} -DENABLE_FORTRAN=True -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_DIR}
cd ${BUILD_DIR}
make -j
make install
cd ../../
- name: Set libXC search path
if: contains(matrix.os, 'ubuntu') || contains(matrix.os, 'macos')
run: |
echo "CMAKE_PREFIX_PATH=./libxc/${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:
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest]
fc: [ifx]
cc: [icx]
env:
FC: ${{ matrix.fc }}
CC: ${{ matrix.cc }}
APT_PACKAGES: >-
intel-oneapi-compiler-fortran
intel-oneapi-compiler-dpcpp-cpp
intel-oneapi-mkl
intel-oneapi-mkl-devel
CMAKE_OPTIONS: >-
-DCMAKE_BUILD_TYPE=RelWithDebInfo
steps:
- name: Checkout code
uses: actions/checkout@v3
- name: Setup Python
uses: actions/setup-python@v4
with:
python-version: 3.x
- name: Add Intel repository
if: contains(matrix.os, 'ubuntu')
run: |
wget -O- https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB | gpg --dearmor | sudo tee /usr/share/keyrings/oneapi-archive-keyring.gpg > /dev/null
echo "deb [signed-by=/usr/share/keyrings/oneapi-archive-keyring.gpg] 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 update
sudo apt-get install ${APT_PACKAGES}
source /opt/intel/oneapi/setvars.sh
printenv >> $GITHUB_ENV
- name: Compile and install libXC
if: contains(matrix.os, 'ubuntu')
run: |
git clone https://gitlab.com/libxc/libxc.git
cd libxc/
git checkout 6.2.2
cmake -H. -B ${BUILD_DIR} -DENABLE_FORTRAN=True -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_DIR}
cd ${BUILD_DIR}
make -j
make install
cd ../../
- name: Set libXC search path
if: contains(matrix.os, 'ubuntu')
run: |
echo "CMAKE_PREFIX_PATH=./libxc/${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 -B ${BUILD_DIR} -DCMAKE_INSTALL_PREFIX=${PWD}/${BUILD_DIR}/${INSTALL_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}