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CMakeLists.txt
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cmake_minimum_required(VERSION 3.5)
message("CMake prefix path: " ${CMAKE_PREFIX_PATH})
project(PRISM)
set(CMAKE_CXX_STANDARD 11)
set(CMAKE_BUILD_TYPE RELEASE)
# set warning level
if ( CMAKE_COMPILER_IS_GNUCC )
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -w -O3 -fPIC")
endif ( CMAKE_COMPILER_IS_GNUCC )
if ( MSVC )
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} /W0 /utf-8 /Ox")
endif ( MSVC )
# PRISM custom options
set(PRISMATIC_ENABLE_GUI 0 CACHE BOOL PRISMATIC_ENABLE_GUI)
set(PRISMATIC_ENABLE_GPU 0 CACHE BOOL PRISMATIC_ENABLE_GPU)
set(PRISMATIC_ENABLE_CLI 1 CACHE BOOL PRISMATIC_ENABLE_GPU)
#set(PRISMATIC_ENABLE_PYTHON_GPU 0 CACHE BOOL PRISMATIC_ENABLE_PYTHON_GPU)
set(PRISMATIC_ENABLE_DOUBLE_PRECISION 0 CACHE BOOL PRISMATIC_ENABLE_DOUBLE_PRECISION)
set(PRISMATIC_ENABLE_PYPRISMATIC 0 CACHE BOOL PRISMATIC_ENABLE_PYPRISMATIC)
set(PRISMATIC_USE_HDF5_STATIC 0 CACHE BOOL PRISMATIC_USE_HDF5_STATIC)
#set (CMAKE_BUILD_TYPE DEBUG)
if (PRISMATIC_ENABLE_GPU)
set(NVCC_FLAGS_EXTRA "-arch=sm_30 -std=c++11 -Xcompiler -fPIC")
endif (PRISMATIC_ENABLE_GPU)
set(CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/cmake/modules)
if (UNIX)
set(CMAKE_LIBRARY_PATH ${CMAKE_LIBRARY_PATH} /usr/local/lib)
link_directories(${CMAKE_LIBRARY_PATH})
endif (UNIX)
# create variables with various bundles of source files
set(SOURCE_FILES
src/configure.cpp
src/WorkDispatcher.cpp
src/Multislice_calcOutput.cpp
src/PRISM01_calcPotential.cpp
src/PRISM02_calcSMatrix.cpp
src/PRISM03_calcOutput.cpp
src/PRISM_entry.cpp
src/Multislice_entry.cpp
src/projectedPotential.cpp
src/parseInput.cpp
src/utility.cpp
src/atom.cpp
src/go.cpp)
if (PRISMATIC_ENABLE_GUI)
set(GUI_SOURCE_FILES
Qt/main.cpp
Qt/prismmainwindow.cpp
Qt/prism_qthreads.cpp
Qt/prism_progressbar.cpp
Qt/saveatomiccoordinatesdialog.cpp
Qt/prism_colormapper.cpp
Qt/prism_resources.qrc)
endif (PRISMATIC_ENABLE_GUI)
if (PRISMATIC_ENABLE_GPU)
set(CUDA_SOURCE_FILES
src/Multislice_calcOutput.cu
src/PRISM02_calcSMatrix.cu
src/PRISM03_calcOutput.cu
src/utility.cu)
endif (PRISMATIC_ENABLE_GPU)
# find core packages
find_package (Threads REQUIRED)
find_package (Boost REQUIRED)
find_package (FFTW3 REQUIRED)
if(PRISMATIC_ENABLE_PYPRISMATIC)
find_package (PythonInterp 3.5 REQUIRED)
find_package (PythonLibs 3.5 REQUIRED)
endif(PRISMATIC_ENABLE_PYPRISMATIC)
if (PRISMATIC_USE_HDF5_STATIC)
message("entered")
set(HDF5_USE_STATIC_LIBRARIES ON)
endif (PRISMATIC_USE_HDF5_STATIC)
set(HDF5_FIND_COMPONENTS "C" "HL" "CXX")
find_package (HDF5 REQUIRED ${HDF5_FIND_COMPONENTS})
find_library(HDF5_C_HL_LIBRARIES hdf5_hl)
find_library(HDF5_C_LIBRARIES hdf5)
find_library(HDF5_CXX_HL_LIBRARIES hdf5_hl_cpp)
find_library(HDF5_CXX_LIBRARIES hdf5_cpp)
set(HDF5_LIBRARIES ${HDF5_C_HL_LIBRARIES} ${HDF5_C_LIBRARIES} ${HDF5_CXX_HL_LIBRARIES} ${HDF5_CXX_LIBRARIES})
message("Boost dir " ${Boost_INCLUDE_DIRS})
include_directories(${CMAKE_SOURCE_DIR}/include
${Boost_INCLUDE_DIRS}
${FFTW_INCLUDE_DIR}
${HDF5_INCLUDE_DIRS})
# find CUDA package, if building for GPU
if (PRISMATIC_ENABLE_GPU)
message("GPU support enabled")
find_package(CUDA REQUIRED)
set(CUDA_NVCC_FLAGS ${CUDA_NVCC_FLAGS} ${NVCC_FLAGS_EXTRA})
endif(PRISMATIC_ENABLE_GPU)
# find Qt modules, if building GUI
if (PRISMATIC_ENABLE_GUI)
find_package(Qt5Widgets REQUIRED)
message(Qt5Widgets_DIR = ${Qt5Widgets_DIR})
endif (PRISMATIC_ENABLE_GUI)
# add preprocessor directives based on configuration
if (PRISMATIC_ENABLE_DOUBLE_PRECISION)
add_definitions(-DPRISMATIC_ENABLE_DOUBLE_PRECISION)
endif (PRISMATIC_ENABLE_DOUBLE_PRECISION)
if (PRISMATIC_ENABLE_GUI)
add_definitions(-DPRISMATIC_ENABLE_GUI)
endif (PRISMATIC_ENABLE_GUI)
if (PRISMATIC_ENABLE_GPU)
add_definitions(-DPRISMATIC_ENABLE_GPU)
endif (PRISMATIC_ENABLE_GPU)
if (PRISMATIC_ENABLE_CLI)
add_definitions(-DPRISMATIC_ENABLE_CLI)
endif (PRISMATIC_ENABLE_CLI)
# setup FFTW based on desired precision
if (NOT PRISMATIC_ENABLE_DOUBLE_PRECISION)
message("Single precision enabled")
if (UNIX)
message(UNIX)
set(FFTW_LIBRARIES ${FFTW_EXECUTABLE_LIBRARIES})
set(FFTW_LIBRARIES fftw3f fftw3f_threads)
set(FFTW_LIBRARY ${FFTW_EXECUTABLE_LIBRARIES})
message("FFTW_EXECUTABLE_LIBRARIES = " ${FFTW_EXECUTABLE_LIBRARIES})
message("FFTW_LIBRARY = " ${FFTW_LIBRARY})
endif (UNIX)
else(NOT PRISMATIC_ENABLE_DOUBLE_PRECISION)
message("Double precision enabled")
add_definitions(-DPRISMATIC_ENABLE_DOUBLE_PRECISION)
if (FFTW_THREADS_LIBRARY)
set(FFTW_LIBRARIES ${FFTW_LIBRARY} ${FFTW_THREADS_LIBRARY})
endif(FFTW_THREADS_LIBRARY)
endif(NOT PRISMATIC_ENABLE_DOUBLE_PRECISION)
if (PRISMATIC_ENABLE_CLI)
# build CLI
if (PRISMATIC_ENABLE_GPU)
cuda_add_executable(prismatic
src/driver.cpp
${SOURCE_FILES}
${CUDA_SOURCE_FILES})
cuda_add_cufft_to_target(prismatic)
else(PRISMATIC_ENABLE_GPU)
add_executable(prismatic
src/driver.cpp
${SOURCE_FILES})
endif (PRISMATIC_ENABLE_GPU)
target_link_libraries(prismatic
${CMAKE_THREAD_LIBS_INIT}
# ${Boost_LIBRARY_DIRS}
${FFTW_LIBRARIES}
${HDF5_LIBRARIES})
endif (PRISMATIC_ENABLE_CLI)
if(APPLE)
list(APPEND GUI_SOURCE_FILES ../Qt/icons/prismatic-icon.icns)
set(MACOSX_BUNDLE_ICON_FILE prismatic-icon.icns)
set(MACOSX_BUNDLE_BUNDLE_VERSION 0.1)
set_source_files_properties(../Qt/icons/prismatic-icon.icns PROPERTIES
MACOSX_PACKAGE_LOCATION Resources)
elseif(WIN32)
list(APPEND GUI_SOURCE_FILES ../Qt/icons/prismatic.ico)
endif()
if (PRISMATIC_ENABLE_GUI)
# build GUI
set(CMAKE_AUTOMOC ON)
set(CMAKE_AUTOUIC ON)
set(CMAKE_AUTORCC ON)
set(CMAKE_INCLUDE_CURRENT_DIR on)
include_directories(${CMAKE_SOURCE_DIR}/Qt ${CMAKE_SOURCE_DIR}/include)
include_directories(${Qt5Widgets_INCLUDE_DIRS})
if (PRISMATIC_ENABLE_GPU)
# build the shared CUDA library used by the GUI
#cuda_add_library(prism_shared
# ${SOURCE_FILES}
# ${CUDA_SOURCE_FILES}
# #${GUI_SOURCE_FILES}
# SHARED)
#target_link_libraries(prism_shared
# ${CMAKE_THREAD_LIBS_INIT}
# ${Boost_LIBRARY_DIRS}
# ${FFTW_LIBRARIES})
#cuda_add_cufft_to_target(prism_shared)
# add_definitions(-DPRISMATIC_BUILDING_GUI)
# add_definitions(-DHEY)
#
cuda_add_executable(prismatic-gui
${SOURCE_FILES}
${GUI_SOURCE_FILES}
${CUDA_SOURCE_FILES}
OPTIONS -DPRISMATIC_BUILDING_GUI)
target_link_libraries(prismatic-gui
Qt5::Widgets
${CMAKE_THREAD_LIBS_INIT}
# ${Boost_LIBRARY_DIRS}
${FFTW_LIBRARIES}
${HDF5_LIBRARIES})
cuda_add_cufft_to_target(prismatic-gui)
else (PRISMATIC_ENABLE_GPU)
add_executable(prismatic-gui
WIN32 MACOSX_BUNDLE
${SOURCE_FILES}
${GUI_SOURCE_FILES})
target_link_libraries(prismatic-gui
Qt5::Widgets
${CMAKE_THREAD_LIBS_INIT}
# ${Boost_LIBRARY_DIRS}
${FFTW_LIBRARIES}
${HDF5_LIBRARIES})
endif (PRISMATIC_ENABLE_GPU)
target_compile_definitions(prismatic-gui PRIVATE PRISMATIC_BUILDING_GUI=1)
if(APPLE)
install(TARGETS prismatic-gui DESTINATION Applications COMPONENT runtime)
else(APPLE)
install(TARGETS prismatic-gui RUNTIME DESTINATION ${CMAKE_INSTALL_PREFIX}/bin)
endif(APPLE)
endif (PRISMATIC_ENABLE_GUI)
if (PRISMATIC_ENABLE_CLI)
install(TARGETS prismatic RUNTIME DESTINATION ${CMAKE_INSTALL_PREFIX}/bin)
endif(PRISMATIC_ENABLE_CLI)
# if (PRISMATIC_ENABLE_PYTHON_GPU AND PRISMATIC_ENABLE_GPU)
# cuda_add_library(cuprismatic SHARED
# ${SOURCE_FILES}
# ${CUDA_SOURCE_FILES})
# cuda_add_cufft_to_target(cuprismatic)
# target_link_libraries(cuprismatic
# ${FFTW_LIBRARIES}
# ${HDF5_LIBRARIES})
# target_compile_definitions(cuprismatic PRIVATE PRISMATIC_ENABLE_GPU=1 BUILDING_CUPRISMATIC=1 CUPRISMATIC_EXPORT=1)
# install(TARGETS cuprismatic
# ARCHIVE DESTINATION ${CMAKE_INSTALL_PREFIX}/lib
# LIBRARY DESTINATION ${CMAKE_INSTALL_PREFIX}/lib)
# endif(PRISMATIC_ENABLE_PYTHON_GPU AND PRISMATIC_ENABLE_GPU)
if(PRISMATIC_ENABLE_PYPRISMATIC)
include_directories(${PYTHON_INCLUDE_DIRS})
if (PRISMATIC_ENABLE_GPU)
cuda_add_library(pyprismatic_core SHARED pyprismatic/core.cpp ${SOURCE_FILES} ${CUDA_SOURCE_FILES})
cuda_add_cufft_to_target(pyprismatic_core)
else (PRISMATIC_ENABLE_GPU)
add_library(pyprismatic_core SHARED pyprismatic/core.cpp ${SOURCE_FILES})
endif(PRISMATIC_ENABLE_GPU)
target_link_libraries(pyprismatic_core
${CMAKE_THREAD_LIBS_INIT}
${FFTW_LIBRARIES}
${HDF5_LIBRARIES}
${PYTHON_LIBRARIES})
set_target_properties(
pyprismatic_core
PROPERTIES
PREFIX ""
OUTPUT_NAME "core"
LINKER_LANGUAGE CXX
)
if(NOT UNIX)
set_target_properties(
pyprismatic_core
PROPERTIES
SUFFIX ".pyd"
)
endif(NOT UNIX)
endif(PRISMATIC_ENABLE_PYPRISMATIC)