60 lines
2.1 KiB
CMake
60 lines
2.1 KiB
CMake
if(PKG_KSPACE)
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option(FFT_SINGLE "Use single precision FFTs instead of double precision FFTs" OFF)
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set(FFTW "FFTW3")
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if(FFT_SINGLE)
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set(FFTW "FFTW3F")
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target_compile_definitions(lammps PUBLIC -DFFT_SINGLE)
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endif()
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find_package(${FFTW} QUIET)
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if(${FFTW}_FOUND)
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set(FFT "FFTW3" CACHE STRING "FFT library for KSPACE package")
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else()
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set(FFT "KISS" CACHE STRING "FFT library for KSPACE package")
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endif()
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set(FFT_VALUES KISS FFTW3 MKL)
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set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES})
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validate_option(FFT FFT_VALUES)
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string(TOUPPER ${FFT} FFT)
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if(FFT STREQUAL "FFTW3")
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find_package(${FFTW} REQUIRED)
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target_compile_definitions(lammps PUBLIC -DFFT_FFTW3)
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target_link_libraries(lammps PUBLIC ${FFTW}::${FFTW})
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if(FFTW3_OMP_LIBRARY OR FFTW3F_OMP_LIBRARY)
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option(FFT_FFTW_THREADS "Use threaded FFTW library" ON)
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else()
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option(FFT_FFTW_THREADS "Use threaded FFT library" OFF)
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endif()
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if(FFT_FFTW_THREADS)
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if(FFTW3_OMP_LIBRARY OR FFTW3F_OMP_LIBRARY)
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target_compile_definitions(lammps PRIVATE -DFFT_FFTW_THREADS)
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target_link_libraries(lammps PRIVATE ${FFTW}::${FFTW}_OMP)
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else()
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message(FATAL_ERROR "Need OpenMP enabled FFTW3 library for FFT_THREADS")
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endif()
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endif()
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elseif(FFT STREQUAL "MKL")
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find_package(MKL REQUIRED)
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target_compile_definitions(lammps PRIVATE -DFFT_MKL)
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option(FFT_MKL_THREADS "Use threaded MKL FFT" ON)
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if(FFT_MKL_THREADS)
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target_compile_definitions(lammps PRIVATE -DFFT_MKL_THREADS)
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endif()
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target_include_directories(lammps PRIVATE ${MKL_INCLUDE_DIRS})
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target_link_libraries(lammps PRIVATE ${MKL_LIBRARIES})
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else()
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# last option is KISSFFT
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target_compile_definitions(lammps PRIVATE -DFFT_KISS)
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endif()
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set(FFT_PACK "array" CACHE STRING "Optimization for FFT")
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set(FFT_PACK_VALUES array pointer memcpy)
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set_property(CACHE FFT_PACK PROPERTY STRINGS ${FFT_PACK_VALUES})
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validate_option(FFT_PACK FFT_PACK_VALUES)
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if(NOT FFT_PACK STREQUAL "array")
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string(TOUPPER ${FFT_PACK} FFT_PACK)
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target_compile_definitions(lammps PRIVATE -DFFT_PACK_${FFT_PACK})
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endif()
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endif()
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