if(PKG_KSPACE) option(FFT_SINGLE "Use single precision FFTs instead of double precision FFTs" OFF) set(FFTW "FFTW3") if(FFT_SINGLE) set(FFTW "FFTW3F") add_definitions(-DFFT_SINGLE) endif() find_package(${FFTW} QUIET) if(${FFTW}_FOUND) set(FFT "FFTW3" CACHE STRING "FFT library for KSPACE package") else() set(FFT "KISS" CACHE STRING "FFT library for KSPACE package") endif() set(FFT_VALUES KISS FFTW3 MKL) set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES}) validate_option(FFT FFT_VALUES) string(TOUPPER ${FFT} FFT) if(FFT STREQUAL "FFTW3") find_package(${FFTW} REQUIRED) add_definitions(-DFFT_FFTW3) include_directories(${${FFTW}_INCLUDE_DIRS}) list(APPEND LAMMPS_LINK_LIBS ${${FFTW}_LIBRARIES}) elseif(FFT STREQUAL "MKL") find_package(MKL REQUIRED) add_definitions(-DFFT_MKL) include_directories(${MKL_INCLUDE_DIRS}) list(APPEND LAMMPS_LINK_LIBS ${MKL_LIBRARIES}) else() # last option is KISSFFT add_definitions(-DFFT_KISS) endif() set(FFT_PACK "array" CACHE STRING "Optimization for FFT") set(FFT_PACK_VALUES array pointer memcpy) set_property(CACHE FFT_PACK PROPERTY STRINGS ${FFT_PACK_VALUES}) validate_option(FFT_PACK FFT_PACK_VALUES) if(NOT FFT_PACK STREQUAL "array") string(TOUPPER ${FFT_PACK} FFT_PACK) add_definitions(-DFFT_PACK_${FFT_PACK}) endif() endif()