Update CI platforms #7
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| 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 |