Skip to content

Remove attributes on fwd declared enum class #4

Remove attributes on fwd declared enum class

Remove attributes on fwd declared enum class #4

name: basictest_intelclassic
on:
push:
pull_request:
jobs:
build:
runs-on: ubuntu-latest
steps:
- name: Checkout
uses: actions/checkout@v4
with:
path: src
- name: add oneAPI to apt
run: |
cd /tmp
wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
rm GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
sudo add-apt-repository "deb https://apt.repos.intel.com/oneapi all main"
- name: apt update
run: sudo apt update
- name: install oneAPI dpcpp compiler
run: sudo apt install intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic
- name: Configure CMake
run: |
source /opt/intel/oneapi/setvars.sh
#NB: We could use
# -DCMAKE_CXX_COMPILER=icpx
# -DCMAKE_C_COMPILER=icx
#But just because it seems to be something that might be useful. we do:
export CC=$(which icc)
export CXX=$(which icpc)
cmake \
-S ${{github.workspace}}/src \
-B ${{github.workspace}}/build \
-DCMAKE_BUILD_TYPE=Release \
-DCMAKE_INSTALL_PREFIX=${{github.workspace}}/install \
-DNCRYSTAL_ENABLE_EXAMPLES=ON \
-DNCRYSTAL_BUILD_STRICT=ON
#Flags that we didn't need:
# -DIntelDPCPP_DIR="/opt/intel/oneapi/compiler/latest/linux/cmake/SYCL"
# -DNCRYSTAL_ENABLE_SETUPSH=ON
# -DMKL_ROOT="/opt/intel/oneapi/mkl/latest"
# -DTBB_ROOT="/opt/intel/oneapi/tbb/latest"
- name: Build
run: >
source /opt/intel/oneapi/setvars.sh &&
cmake
--build ${{github.workspace}}/build
--config Release
- name: Install
run: source /opt/intel/oneapi/setvars.sh && cmake --install ${{github.workspace}}/build
- name: install other python packages
run: sudo apt install python3-numpy
- name: Tests with eval ncrystal-config setup
run: |
source /opt/intel/oneapi/setvars.sh
set -eux
eval $(${{github.workspace}}/install/bin/ncrystal-config --setup)
ncrystal-config --summary
nctool --test
ncrystal-config --help
ncrystal_example_c
ncrystal_example_cpp
ncrystal_example_py
nctool --help
nctool --dump 'Al_sg225.ncmat;dcutoff=1.5'
python3 -c 'import NCrystal; NCrystal.test()'
ncrystal_vdos2ncmat --help
ncrystal_cif2ncmat --help
ncrystal_ncmat2cpp --help
ncrystal_hfg2ncmat --help
ncrystal_verifyatompos --help
#needs gemmi: ncrystal_cif2ncmat codid::9008460
ncrystal_ncmat2hkl --help
ncrystal_ncmat2hkl --format=laz 'Al_sg225.ncmat;temp=250K;dcutoff=0.75' -o test_Al.laz
ncrystal_ncmat2hkl --format=lau 'Al_sg225.ncmat;temp=250K;dcutoff=0.75' -o test_Al.lau
nctool -d ./test_Al.laz
nctool -d ./test_Al.lau
ncrystal_ncmat2cpp $(ncrystal-config --show=datadir)/Al_sg225.ncmat -o test.cpp
cat test.cpp
#NEEDS MATPLOTLIB: nctool --pdf Al_sg225.ncmat
#Examples from README:
cp ./src/examples/ncrystal_example_cpp.cc ./my_cpp_code.cpp
cp ./src/examples/ncrystal_example_c.c ./my_c_code.c
export LDFLAGS="${LDFLAGS:-} -Wl,-rpath,$(ncrystal-config --show libdir) $(ncrystal-config --show libpath)" &&
export CFLAGS="${CFLAGS:-} -I$(ncrystal-config --show includedir)" &&
export CXXFLAGS="${CXXFLAGS:-} -I$(ncrystal-config --show includedir)" &&
cc -std=c11 ${LDFLAGS} ${CFLAGS} my_c_code.c -o my_c_app &&
./my_c_app &&
c++ -std=c++17 ${LDFLAGS} ${CXXFLAGS} my_cpp_code.cpp -o my_cpp_app &&
./my_cpp_app &&
echo "Custom compilation of downstream C/C++ code succeeded"
eval $(ncrystal-config --unsetup)
# - name: install oneAPI MKL library
# run: |
# sudo apt install intel-oneapi-mkl-devel
#TK - name: Add Intel package sources
#TK run: |
#TK 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
#TK 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
#TK sudo apt update
#TK
#TK - name: Install Intel OneAPI Base Toolkit
#TK run: |
#TK sudo apt install intel-basekit