Update CMake to formally name the five levels of ABACUS executables (Useful Information for knowing Five Compilation Levels of ABACUS) #506
Workflow file for this run
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| name: Atomic Simulation Environment (ASE) Plugin Test | |
| on: | |
| pull_request: | |
| jobs: | |
| test: | |
| name: abacuslite | |
| runs-on: ubuntu-latest | |
| container: | |
| image: ghcr.io/deepmodeling/abacus-gnu | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v6 | |
| - name: Set up Miniconda | |
| uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| miniconda-version: 'latest' | |
| activate-environment: abacuslite | |
| python-version: '3.10' | |
| - name: Install dependencies | |
| shell: bash -l {0} | |
| run: | | |
| conda install -y pip | |
| pip install numpy scipy matplotlib | |
| - name: Install abacuslite | |
| shell: bash -l {0} | |
| run: | | |
| cd interfaces/ASE_interface | |
| pip install . | |
| - name: Configure & Build ABACUS (GNU) | |
| run: | | |
| git config --global --add safe.directory `pwd` | |
| export LD_LIBRARY_PATH=${GKLIB_ROOT}/lib:${METIS32_ROOT}/lib:${PARMETIS32_ROOT}/lib:${SUPERLU32_DIST_ROOT}/lib:${PEXSI32_ROOT}/lib:${LD_LIBRARY_PATH} | |
| export PKG_CONFIG_PATH=${GKLIB_ROOT}/lib/pkgconfig:${METIS32_ROOT}/lib/pkgconfig:${PARMETIS32_ROOT}/lib/pkgconfig:${SUPERLU32_DIST_ROOT}/lib/pkgconfig:${PEXSI32_ROOT}/lib/pkgconfig:${PKG_CONFIG_PATH} | |
| export CPATH=${GKLIB_ROOT}/include:${METIS32_ROOT}/include:${PARMETIS32_ROOT}/include:${SUPERLU32_DIST_ROOT}/include:${PEXSI32_ROOT}/include:${CPATH} | |
| export CMAKE_PREFIX_PATH=${PEXSI32_ROOT}:${SUPERLU_DIST32_ROOT}:${PARMETIS32_ROOT}:${METIS32_ROOT}:${GKLIB_ROOT}:${CMAKE_PREFIX_PATH} | |
| rm -rf build | |
| cmake -B build | |
| cmake --build build -j2 | |
| - name: Install and Soft Link ABACUS | |
| run: | | |
| cmake --install build | |
| if [ -f /usr/local/bin/abacus_2p ]; then | |
| ln -sf /usr/local/bin/abacus_2p /usr/local/bin/abacus | |
| fi | |
| - name: Run unit tests | |
| shell: bash -l {0} | |
| run: | | |
| cd interfaces/ASE_interface/abacuslite | |
| chmod +x xtest.sh | |
| ./xtest.sh | |
| - name: Run integration tests | |
| shell: bash -l {0} | |
| run: | | |
| cd interfaces/ASE_interface/tests | |
| chmod +x xtest.sh | |
| ./xtest.sh |