CI: intel test no longer use ncrystal-config --setup #481
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: basictest | |
| on: | |
| push: | |
| pull_request: | |
| schedule: | |
| - cron: '30 18 * * 0' # 18:30 every Sunday | |
| workflow_dispatch: | |
| inputs: | |
| manual-debugging: | |
| type: boolean | |
| description: Launch manual debugging tmate session on failure | |
| default: true | |
| env: | |
| # Customize the CMake build type here (Release, Debug, RelWithDebInfo, etc.) | |
| BUILD_TYPE: Release | |
| jobs: | |
| build: | |
| # The CMake configure and build commands are platform agnostic and should work equally | |
| # well on Windows or Mac. You can convert this to a matrix build if you need | |
| # cross-platform coverage. | |
| # See: https://docs.github.com/en/free-pro-team@latest/actions/learn-github-actions/managing-complex-workflows#using-a-build-matrix | |
| strategy: | |
| matrix: | |
| include: | |
| #Note: Python 3.13 works (Aug 2024) because of the | |
| #"allow-prereleases: true" below. | |
| - { os: ubuntu-20.04, CC: gcc-10, CXX: g++-10, python: '3.8' } | |
| - { os: ubuntu-22.04, CC: gcc, CXX: g++, python: '3.9' } | |
| - { os: ubuntu-latest, CC: gcc, CXX: g++, python: '3.10' } | |
| - { os: ubuntu-latest, CC: clang, CXX: clang++, python: '3.11' } | |
| - { os: ubuntu-latest, CC: gcc-12, CXX: g++-12, python: '3.12' } | |
| - { os: ubuntu-latest, CC: gcc, CXX: g++, python: '3.13' } | |
| - { os: macos-latest, CC: clang, CXX: clang++, python: "3.12" } | |
| - { os: macos-12, CC: clang, CXX: clang++, python: "3.10" } | |
| - { os: macos-13, CC: clang, CXX: clang++, python: "3.11" } | |
| name: ${{ matrix.os }}.${{ matrix.CC }}.python-${{ matrix.python }} | |
| runs-on: ${{ matrix.os }} | |
| env: | |
| CC: ${{ matrix.CC }} | |
| CXX: ${{ matrix.CXX }} | |
| # SHELL: /bin/bash | |
| #name: Ubuntu with Python ${{ matrix.python-version }} | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| with: | |
| path: src | |
| - name: Setup python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python }} | |
| allow-prereleases: true #Needed (Aug 2024) for Python 3.13. | |
| - name: Pip install | |
| run: | | |
| set -eux | |
| python3 -m pip install numpy gemmi spglib ase mpmath matplotlib | |
| #python3 -m pip install pymatgen | |
| - name: Check versions | |
| run: | | |
| set -eux | |
| which python3 | |
| python3 --version | |
| which cmake | |
| cmake --version | |
| - name: Configure CMake | |
| # Configure CMake in a 'build' subdirectory. `CMAKE_BUILD_TYPE` is only required if you are using a single-configuration generator such as make. | |
| # See https://cmake.org/cmake/help/latest/variable/CMAKE_BUILD_TYPE.html?highlight=cmake_build_type | |
| run: > | |
| cmake | |
| -S ${{github.workspace}}/src | |
| -B ${{github.workspace}}/build | |
| -DCMAKE_BUILD_TYPE=${{env.BUILD_TYPE}} | |
| -DCMAKE_INSTALL_PREFIX=${{github.workspace}}/install | |
| -DNCRYSTAL_ENABLE_EXAMPLES=ON | |
| -DNCRYSTAL_BUILD_STRICT=ON | |
| -DNCRYSTAL_ENABLE_SETUPSH=ON | |
| -DNCRYSTAL_ENABLE_TESTING=ON | |
| - name: Build | |
| run: > | |
| cmake | |
| --build ${{github.workspace}}/build | |
| --config ${{env.BUILD_TYPE}} | |
| - name: CTest (from the build area) | |
| run: | | |
| set -eux | |
| cd ${{github.workspace}}/build | |
| ctest --output-on-failure --test-output-size-failed 100000 --test-output-truncation middle | |
| - name: Install | |
| run: cmake --install ${{github.workspace}}/build | |
| - name: Tests without environment setup | |
| run: | | |
| set -eux | |
| ${{github.workspace}}/install/bin/ncrystal-config --summary | |
| ${{github.workspace}}/install/bin/nctool --test | |
| ${{github.workspace}}/install/bin/ncrystal_example_c | |
| ${{github.workspace}}/install/bin/ncrystal_example_cpp | |
| ${{github.workspace}}/install/bin/nctool --dump 'Al_sg225.ncmat;dcutoff=1.5' | |
| - name: Tests with eval ncrystal-config setup | |
| run: | | |
| 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 | |
| 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: Tests with ncrystal_setup.sh | |
| run: | | |
| set -eux | |
| . ${{github.workspace}}/install/ncrystal_setup.sh | |
| ncrystal-config --summary | |
| nctool --test | |
| ncrystal_vdos2ncmat --help | |
| ncrystal_cif2ncmat --help | |
| ncrystal_ncmat2hkl --help | |
| ncrystal_ncmat2hkl --format=laz 'Al_sg225.ncmat;temp=250K;dcutoff=0.75' -o test2_Al.laz | |
| ncrystal_ncmat2hkl --format=lau 'Al_sg225.ncmat;temp=250K;dcutoff=0.75' -o test2_Al.lau | |
| nctool -d ./test2_Al.laz | |
| nctool -d ./test2_Al.lau | |
| ncrystal_ncmat2cpp --help | |
| ncrystal_hfg2ncmat --help | |
| ncrystal_verifyatompos --help | |
| ncrystal_example_c | |
| ncrystal_example_cpp | |
| ncrystal_example_py | |
| python3 -m NCrystal.test | |
| python3 -c 'import NCrystal; NCrystal.test()' | |
| . ${{github.workspace}}/install/ncrystal_unsetup.sh | |
| #Final step, so tmate step can check if we got this far. | |
| - name: Final | |
| id: final-step | |
| run: echo "All steps fine" | |
| - name: Setup tmate session for manual debugging | |
| uses: mxschmitt/action-tmate@v3 | |
| if: always() && inputs.manual-debugging == true && (steps.final-step != 'success') | |
| with: | |
| limit-access-to-actor: true |