Clean orbitals and fix QMCKL wavefunction optimization (#299) #18
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| name: CHAMP release build with Intel | |
| on: | |
| push: | |
| branches: | |
| - 'releases/**' | |
| - main | |
| tags: | |
| - v2.*.* | |
| - v3.*.* | |
| pull_request: | |
| branches: | |
| - 'releases/**' | |
| - main | |
| workflow_dispatch: | |
| jobs: | |
| build_champ: | |
| strategy: | |
| matrix: | |
| toolchain: ['intel'] | |
| name: Build CHAMP with ${{ matrix.toolchain }} OneAPI GitHub-hosted runner | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 180 | |
| defaults: | |
| run: | |
| shell: bash --noprofile --norc {0} | |
| steps: | |
| - name: Use Intel oneAPI GitHub Actions fast setup | |
| uses: neelravi/[email protected] | |
| with: | |
| components: fortran,cpp,mpi,mkl | |
| - name: Get the CHAMP code | |
| uses: actions/checkout@v4 | |
| - name: Compile the CHAMP code using Intel and run all tests | |
| run: | | |
| source /opt/intel/oneapi/setvars.sh | |
| cmake --version | |
| ifx --version | |
| icx --version | |
| mpiifx --version | |
| mpiicx --version | |
| cmake -H. -Bbuild \ | |
| -DCMAKE_Fortran_COMPILER=mpiifort \ | |
| -DCMAKE_C_COMPILER=mpiicx \ | |
| -DBLA_STATIC=ON \ | |
| -DBLA_VENDOR=Intel10_64lp_seq \ | |
| -DENABLE_TREXIO=OFF \ | |
| -DENABLE_QMCKL=OFF \ | |
| cmake --build build -- -j2 | |
| cd build | |
| ctest --output-on-failure --verbose -LE "(TREXIO|QMCKL)" |