diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index c69ca085e..74785d340 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -1,161 +1,171 @@ cmake_minimum_required(VERSION 3.1) project(lammps) set(SOVERSION 0) set(LAMMPS_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../src) set(LAMMPS_LIB_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../lib) +# Cmake modules/macros are in a subdirectory to keep this file cleaner set(CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/Modules) if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_C_FLAGS) #release comes with -O3 by default set(CMAKE_BUILD_TYPE Release CACHE STRING "Choose the type of build, options are: None Debug Release RelWithDebInfo MinSizeRel." FORCE) endif(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_C_FLAGS) enable_language(CXX) ###################################################################### # compiler tests # these need ot be done early (before further tests). ##################################################################### include(CheckCCompilerFlag) ######################################################################## # User input options # ######################################################################## option(BUILD_SHARED_LIBS "Build shared libs" OFF) include(GNUInstallDirs) set(LAMMPS_LINK_LIBS) option(ENABLE_MPI "Build MPI version" OFF) if(ENABLE_MPI) find_package(MPI REQUIRED) include_directories(${MPI_C_INCLUDE_PATH}) list(APPEND LAMMPS_LINK_LIBS ${MPI_CXX_LIBRARIES}) endif() find_package(UnixCommands) option(CMAKE_VERBOSE_MAKEFILE "Verbose makefile" OFF) -set(PACKAGES ASPHERE REAX) +set(PACKAGES ASPHERE KSPACE REAX) foreach(PKG ${PACKAGES}) option(ENABLE_${PKG} "Build ${PKG} Package" OFF) endforeach() set(ACCEL_PACKAGES USER-OMP) foreach(PKG ${ACCEL_PACKAGES}) option(ENABLE_${PKG} "Build ${PKG} Package" OFF) endforeach() +if(ENABLE_KSPACE) + find_package(FFTW3) + if(FFTW3_FOUND) + add_definitions(-DFFT_FFTW3) + include_directories(${FFTW3_INCLUDE_DIRS}) + list(APPEND LAMMPS_LINK_LIBS ${FFTW3_LIBRARIES}) + endif() +endif() + find_package(JPEG) if(JPEG_FOUND) add_definitions(-DLAMMPS_JPEG) include_directories(${JPEG_INCLUDE_DIR}) list(APPEND LAMMPS_LINK_LIBS ${JPEG_LIBRARIES}) endif() find_package(PNG) find_package(ZLIB) if(PNG_FOUND AND ZLIB_FOUND) include_directories(${PNG_INCLUDE_DIRS} ${ZLIB_INCLUDE_DIRS}) list(APPEND LAMMPS_LINK_LIBS ${PNG_LIBRARIES} ${ZLIB_LIBRARIES}) add_definitions(-DLAMMPS_PNG) endif() find_program(GZIP gzip) if(GZIP) add_definitions(-DLAMMPS_GZIP) endif() ######################################################################## # Basic system tests (standard libraries, headers, functions, types) # ######################################################################## include(CheckIncludeFile) foreach(HEADER math.h) check_include_file(${HEADER} FOUND_${HEADER}) if(NOT FOUND_${HEADER}) message(FATAL_ERROR "Could not find needed header - ${HEADER}") endif(NOT FOUND_${HEADER}) endforeach(HEADER) set(MATH_LIBRARIES "m" CACHE STRING "math library") mark_as_advanced( MATH_LIBRARIES ) include(CheckLibraryExists) foreach(FUNC sin cos) check_library_exists(${MATH_LIBRARIES} ${FUNC} "" FOUND_${FUNC}_${MATH_LIBRARIES}) if(NOT FOUND_${FUNC}_${MATH_LIBRARIES}) message(FATAL_ERROR "Could not find needed math function - ${FUNC}") endif(NOT FOUND_${FUNC}_${MATH_LIBRARIES}) endforeach(FUNC) list(APPEND LAMMPS_LINK_LIBS ${MATH_LIBRARIES}) ###################################### # Include the following subdirectory # ###################################### #Do NOT go into src to not conflict with old Makefile build system #add_subdirectory(src) file(GLOB LIB_SOURCES ${LAMMPS_SOURCE_DIR}/*.cpp) file(GLOB LMP_SOURCES ${LAMMPS_SOURCE_DIR}/main.cpp) list(REMOVE_ITEM LIB_SOURCES ${LMP_SOURCES}) if(NOT ENABLE_MPI) file(GLOB MPI_SOURCES ${LAMMPS_SOURCE_DIR}/STUBS/mpi.c) list(APPEND LIB_SOURCES ${MPI_SOURCES}) include_directories(${LAMMPS_SOURCE_DIR}/STUBS) endif() include(StyleHeaderUtils) RegisterStyles(${LAMMPS_SOURCE_DIR}) # packages which include entire content when enabled foreach(PKG ${PACKAGES}) if(ENABLE_${PKG}) set(${PKG}_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/${PKG}) # detects styles in package and adds them to global list RegisterStyles(${${PKG}_SOURCES_DIR}) file(GLOB ${PKG}_SOURCES ${${PKG}_SOURCES_DIR}/*.cpp) list(APPEND LIB_SOURCES ${${PKG}_SOURCES}) include_directories(${${PKG}_SOURCES_DIR}) endif() endforeach() # packages which selectively include variants based on enabled styles # e.g. accelerator packages # TODO if(ENABLE_REAX) enable_language(Fortran) file(GLOB REAX_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/reax/*.F) list(APPEND LIB_SOURCES ${REAX_SOURCES}) include_directories(${LAMMPS_LIB_SOURCE_DIR}/reax) endif() ###################################################### # Generate style headers based on global list of # styles registered during package selection ###################################################### set(LAMMPS_STYLE_HEADERS_DIR ${CMAKE_CURRENT_BINARY_DIR}/styles) GenerateStyleHeaders(${LAMMPS_STYLE_HEADERS_DIR}) include_directories(${LAMMPS_SOURCE_DIR}) include_directories(${LAMMPS_STYLE_HEADERS_DIR}) add_library(lammps ${LIB_SOURCES}) target_link_libraries(lammps ${LAMMPS_LINK_LIBS}) set_target_properties(lammps PROPERTIES SOVERSION ${SOVERSION}) install(TARGETS lammps LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}) add_executable(lmp ${LMP_SOURCES}) target_link_libraries(lmp lammps) install(TARGETS lammps DESTINATION ${CMAKE_INSTALL_BINDIR}) diff --git a/cmake/Modules/FindFFTW3.cmake b/cmake/Modules/FindFFTW3.cmake new file mode 100644 index 000000000..552bcc425 --- /dev/null +++ b/cmake/Modules/FindFFTW3.cmake @@ -0,0 +1,25 @@ +# - Find fftw3 +# Find the native FFTW3 headers and libraries. +# +# FFTW3_INCLUDE_DIRS - where to find fftw3.h, etc. +# FFTW3_LIBRARIES - List of libraries when using fftw3. +# FFTW3_FOUND - True if fftw3 found. +# + +find_package(PkgConfig) + +pkg_check_modules(PC_FFTW3 fftw3) +find_path(FFTW3_INCLUDE_DIR fftw3.h HINTS ${PC_FFTW3_INCLUDE_DIRS}) + +find_library(FFTW3_LIBRARY NAMES fftw3 HINTS ${PC_FFTW3_LIBRARY_DIRS}) + +set(FFTW3_LIBRARIES ${FFTW3_LIBRARY}) +set(FFTW3_INCLUDE_DIRS ${FFTW3_INCLUDE_DIR}) + +include(FindPackageHandleStandardArgs) +# handle the QUIETLY and REQUIRED arguments and set FFTW3_FOUND to TRUE +# if all listed variables are TRUE + +find_package_handle_standard_args(FFTW3 DEFAULT_MSG FFTW3_LIBRARY FFTW3_INCLUDE_DIR) + +mark_as_advanced(FFTW3_INCLUDE_DIR FFTW3_LIBRARY )