Loading cmake/CMakeLists.txt +1 −38 Original line number Diff line number Diff line Loading @@ -227,44 +227,7 @@ if(BUILD_OMP) set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}") endif() if(PKG_KSPACE) option(FFT_SINGLE "Use single precision FFT instead of double" OFF) set(FFTW "FFTW3") if(FFT_SINGLE) set(FFTW "FFTW3F") add_definitions(-DFFT_SINGLE) endif() find_package(${FFTW} QUIET) if(${FFTW}_FOUND) set(FFT "${FFTW}" CACHE STRING "FFT library for KSPACE package") else() set(FFT "KISS" CACHE STRING "FFT library for KSPACE package") endif() set(FFT_VALUES KISS ${FFTW} MKL) set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES}) validate_option(FFT FFT_VALUES) string(TOUPPER ${FFT} FFT) if(NOT FFT STREQUAL "KISS") find_package(${FFT} REQUIRED) if(NOT FFT STREQUAL "FFTW3F") add_definitions(-DFFT_FFTW) else() add_definitions(-DFFT_${FFT}) endif() include_directories(${${FFT}_INCLUDE_DIRS}) list(APPEND LAMMPS_LINK_LIBS ${${FFT}_LIBRARIES}) else() 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() include(Packages/KSPACE) if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-PLUMED OR PKG_USER-QUIP OR PKG_LATTE) find_package(LAPACK) Loading cmake/Modules/Packages/KSPACE.cmake 0 → 100644 +38 −0 Original line number Diff line number Diff line if(PKG_KSPACE) option(FFT_SINGLE "Use single precision FFT instead of double" OFF) set(FFTW "FFTW3") if(FFT_SINGLE) set(FFTW "FFTW3F") add_definitions(-DFFT_SINGLE) endif() find_package(${FFTW} QUIET) if(${FFTW}_FOUND) set(FFT "${FFTW}" CACHE STRING "FFT library for KSPACE package") else() set(FFT "KISS" CACHE STRING "FFT library for KSPACE package") endif() set(FFT_VALUES KISS ${FFTW} MKL) set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES}) validate_option(FFT FFT_VALUES) string(TOUPPER ${FFT} FFT) if(NOT FFT STREQUAL "KISS") find_package(${FFT} REQUIRED) if(NOT FFT STREQUAL "FFTW3F") add_definitions(-DFFT_FFTW) else() add_definitions(-DFFT_${FFT}) endif() include_directories(${${FFT}_INCLUDE_DIRS}) list(APPEND LAMMPS_LINK_LIBS ${${FFT}_LIBRARIES}) else() 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() Loading
cmake/CMakeLists.txt +1 −38 Original line number Diff line number Diff line Loading @@ -227,44 +227,7 @@ if(BUILD_OMP) set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}") endif() if(PKG_KSPACE) option(FFT_SINGLE "Use single precision FFT instead of double" OFF) set(FFTW "FFTW3") if(FFT_SINGLE) set(FFTW "FFTW3F") add_definitions(-DFFT_SINGLE) endif() find_package(${FFTW} QUIET) if(${FFTW}_FOUND) set(FFT "${FFTW}" CACHE STRING "FFT library for KSPACE package") else() set(FFT "KISS" CACHE STRING "FFT library for KSPACE package") endif() set(FFT_VALUES KISS ${FFTW} MKL) set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES}) validate_option(FFT FFT_VALUES) string(TOUPPER ${FFT} FFT) if(NOT FFT STREQUAL "KISS") find_package(${FFT} REQUIRED) if(NOT FFT STREQUAL "FFTW3F") add_definitions(-DFFT_FFTW) else() add_definitions(-DFFT_${FFT}) endif() include_directories(${${FFT}_INCLUDE_DIRS}) list(APPEND LAMMPS_LINK_LIBS ${${FFT}_LIBRARIES}) else() 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() include(Packages/KSPACE) if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-PLUMED OR PKG_USER-QUIP OR PKG_LATTE) find_package(LAPACK) Loading
cmake/Modules/Packages/KSPACE.cmake 0 → 100644 +38 −0 Original line number Diff line number Diff line if(PKG_KSPACE) option(FFT_SINGLE "Use single precision FFT instead of double" OFF) set(FFTW "FFTW3") if(FFT_SINGLE) set(FFTW "FFTW3F") add_definitions(-DFFT_SINGLE) endif() find_package(${FFTW} QUIET) if(${FFTW}_FOUND) set(FFT "${FFTW}" CACHE STRING "FFT library for KSPACE package") else() set(FFT "KISS" CACHE STRING "FFT library for KSPACE package") endif() set(FFT_VALUES KISS ${FFTW} MKL) set_property(CACHE FFT PROPERTY STRINGS ${FFT_VALUES}) validate_option(FFT FFT_VALUES) string(TOUPPER ${FFT} FFT) if(NOT FFT STREQUAL "KISS") find_package(${FFT} REQUIRED) if(NOT FFT STREQUAL "FFTW3F") add_definitions(-DFFT_FFTW) else() add_definitions(-DFFT_${FFT}) endif() include_directories(${${FFT}_INCLUDE_DIRS}) list(APPEND LAMMPS_LINK_LIBS ${${FFT}_LIBRARIES}) else() 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()
