enable cmake support
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@ -127,7 +127,7 @@ if(PKG_KSPACE)
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${KOKKOS_PKG_SOURCES_DIR}/grid3d_kokkos.cpp
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${KOKKOS_PKG_SOURCES_DIR}/remap_kokkos.cpp)
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set(FFT_KOKKOS "KISS" CACHE STRING "FFT library for Kokkos-enabled KSPACE package")
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set(FFT_KOKKOS_VALUES KISS FFTW3 MKL HIPFFT CUFFT)
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set(FFT_KOKKOS_VALUES KISS FFTW3 MKL HIPFFT CUFFT MKL_GPU)
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set_property(CACHE FFT_KOKKOS PROPERTY STRINGS ${FFT_KOKKOS_VALUES})
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validate_option(FFT_KOKKOS FFT_KOKKOS_VALUES)
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string(TOUPPER ${FFT_KOKKOS} FFT_KOKKOS)
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@ -155,6 +155,16 @@ if(PKG_KSPACE)
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target_compile_definitions(lammps PRIVATE -DFFT_KOKKOS_HIPFFT)
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target_link_libraries(lammps PRIVATE hip::hipfft)
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endif()
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elseif(FFT_KOKKOS STREQUAL "MKL_GPU")
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if(NOT Kokkos_ENABLE_SYCL)
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message(FATAL_ERROR "Using MKL_GPU FFT currently requires the SYCL backend of Kokkos.")
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endif()
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find_package(MKL REQUIRED)
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target_compile_definitions(lammps PRIVATE -DFFT_KOKKOS_MKL_GPU)
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target_link_libraries(lammps PRIVATE mkl_sycl_dft mkl_intel_ilp64 mkl_tbb_thread mkl_core tbb)
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elseif(FFT_KOKKOS STREQUAL "MKL")
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find_package(MKL REQUIRED)
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target_compile_definitions(lammps PRIVATE -DFFT_KOKKOS_MKL)
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endif()
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endif()
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