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CMakeLists.txt
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CMakeLists.txt
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#---------------------------------------------------
# OpenMM
#
# Creates OpenMM library.
#
# Windows:
# OpenMM.dll
# OpenMM.lib
# OpenMM_static.lib
# Unix:
# libOpenMM.so
# libOpenMM_static.a
#----------------------------------------------------
find_package(PythonInterp)
mark_as_advanced(CLEAR PYTHON_EXECUTABLE)
# Don't create a new project name if this is part of a mega-build from the
# parent directory
IF( NOT PROJECT_NAME )
PROJECT (OpenMM)
ENDIF( NOT PROJECT_NAME )
CMAKE_MINIMUM_REQUIRED(VERSION 2.8)
if("${CMAKE_VERSION}" VERSION_GREATER "3.0" OR "${CMAKE_VERSION}" VERSION_EQUAL "3.0")
CMAKE_POLICY(SET CMP0042 OLD)
endif()
#SET(CMAKE_VERBOSE_MAKEFILE 1)
# CMake 2.4 on dart server only needs to know about Dart
INCLUDE(Dart)
MARK_AS_ADVANCED(DART_ROOT)
# Avoid dart server problem with cmake 2.4 --cmb
set(cmv "${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}")
IF(NOT cmv EQUAL "2.4") # This whole file...
# We have custom cmake modules for FindOpenMM and running python tests
SET(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${CMAKE_SOURCE_DIR}/cmake_modules")
# Older cmake versions do not have cmake_policy command
# Cmake 2.4.5, the default cmake on red hat linux, has the
# cmake_policy command, but it does not work
# "if(POLICY ..." does not work with cmake 2.4.[56] on red hat
# (cmake 2.4.7 is OK)
if(COMMAND cmake_policy)
if(CMAKE_MAJOR_VERSION GREATER 2 OR CMAKE_MINOR_VERSION GREATER 5)
cmake_policy(SET CMP0003 NEW)
cmake_policy(SET CMP0005 NEW)
endif(CMAKE_MAJOR_VERSION GREATER 2 OR CMAKE_MINOR_VERSION GREATER 5)
if(CMAKE_MAJOR_VERSION GREATER 2 OR CMAKE_MINOR_VERSION GREATER 6 OR CMAKE_PATCH_VERSION GREATER 2)
cmake_policy(SET CMP0011 NEW)
endif(CMAKE_MAJOR_VERSION GREATER 2 OR CMAKE_MINOR_VERSION GREATER 6 OR CMAKE_PATCH_VERSION GREATER 2)
endif(COMMAND cmake_policy)
# Where to install
IF(WIN32)
IF(NOT OPENMM_INSTALL_PREFIX)
SET(OPENMM_INSTALL_PREFIX "$ENV{ProgramFiles}/OpenMM")
ENDIF(NOT OPENMM_INSTALL_PREFIX)
ELSE(WIN32)
IF(NOT OPENMM_INSTALL_PREFIX)
SET(OPENMM_INSTALL_PREFIX "/usr/local/openmm")
ENDIF(NOT OPENMM_INSTALL_PREFIX)
ENDIF(WIN32)
IF(WIN32)
ADD_DEFINITIONS(-DWIN32)
ENDIF(WIN32)
# Include CPU-Features for Android
IF (ANDROID)
INCLUDE_DIRECTORIES(${ANDROID_NDK}/sources/cpufeatures)
ENDIF (ANDROID)
# It seems that on linux and mac, everything is trying to be installed in /usr/local/openmm
# But if every install target is prefixed with /openmm/, on Windows the install files
# end up in C:/Program Files/OpenMM/openmm/ which is ugly.
# Better to set CMAKE_INSTALL_PREFIX to /usr/local/openmm and leave /openmm/ off the
# install target names. Plus, the user now has the opportunity to install into /usr/local/
# if she so chooses. --cmb
IF(${CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT})
SET(CMAKE_INSTALL_PREFIX ${OPENMM_INSTALL_PREFIX} CACHE PATH "Where to install OpenMM" FORCE)
ENDIF(${CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT})
# The source is organized into subdirectories, but we handle them all from
# this CMakeLists file rather than letting CMake visit them as SUBDIRS.
SET(OPENMM_SOURCE_SUBDIRS . openmmapi olla libraries/jama libraries/quern libraries/lepton libraries/sfmt libraries/lbfgs libraries/hilbert libraries/csha1 platforms/reference serialization libraries/irrxml libraries/vecmath)
IF(WIN32)
SET(OPENMM_SOURCE_SUBDIRS ${OPENMM_SOURCE_SUBDIRS} libraries/pthreads)
ELSE(WIN32)
IF (NOT ANDROID)
SET(PTHREADS_LIB pthread)
# in linux, even in static builds we link against the dynamic object (since its tied to libc versions)
SET(PTHREADS_LIB_STATIC pthread)
ENDIF (NOT ANDROID)
ENDIF(WIN32)
# The build system will set ARCH64 for 64 bit builds, which require
# use of the lib64/ library directories rather than lib/.
#SET( ARCH64 OFF CACHE BOOL "ON for 64bit builds, OFF for 32bit builds")
#MARK_AS_ADVANCED( ARCH64 )
#IF (ARCH64)
# SET(LIB64 64)
#ELSE (ARCH64)
# SET(LIB64) # nothing
#ENDIF (ARCH64)
IF( CMAKE_SIZEOF_VOID_P EQUAL 8 )
SET( LIB64 64 )
ELSE( CMAKE_SIZEOF_VOID_P EQUAL 8 )
SET( LIB64 )
ENDIF( CMAKE_SIZEOF_VOID_P EQUAL 8 )
IF (APPLE AND (NOT PNACL))
# Build 64 bit binaries compatible with OS X 10.7
IF (NOT CMAKE_OSX_DEPLOYMENT_TARGET)
SET (CMAKE_OSX_DEPLOYMENT_TARGET "10.7" CACHE STRING "The minimum version of OS X to support" FORCE)
ENDIF (NOT CMAKE_OSX_DEPLOYMENT_TARGET)
IF (NOT CMAKE_OSX_ARCHITECTURES)
SET (CMAKE_OSX_ARCHITECTURES "x86_64" CACHE STRING "The processor architectures to build for" FORCE)
ENDIF (NOT CMAKE_OSX_ARCHITECTURES)
IF (NOT CMAKE_OSX_SYSROOT)
EXECUTE_PROCESS(COMMAND "xcrun" "--show-sdk-path" OUTPUT_VARIABLE XCRUN_OSX_SYSROOT RESULT_VARIABLE XCRUN_OSX_SYSROOT_STATUS OUTPUT_STRIP_TRAILING_WHITESPACE)
IF (XCRUN_OSX_SYSROOT_STATUS EQUAL 0)
SET (CMAKE_OSX_SYSROOT "${XCRUN_OSX_SYSROOT}" CACHE STRING "SDK Path" FORCE)
ENDIF (XCRUN_OSX_SYSROOT_STATUS EQUAL 0)
UNSET(XCRUN_OSX_SYSROOT)
UNSET(XCRUN_OSX_SYSROOT_STATUS)
ENDIF (NOT CMAKE_OSX_SYSROOT)
# Improve the linking behavior of Mac libraries
SET (CMAKE_INSTALL_NAME_DIR "@rpath")
SET(EXTRA_COMPILE_FLAGS "-msse2 -stdlib=libc++")
ELSE (APPLE AND (NOT PNACL))
IF (MSVC OR ANDROID OR PNACL)
SET(EXTRA_COMPILE_FLAGS)
IF (MSVC)
# Use warning level 2, not whatever warning level CMake picked.
STRING(REGEX REPLACE "/W[0-4]" "/W2" CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS}")
# Explicitly suppress warnings 4305 and 4244.
SET(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} /wd4305 /wd4244")
ENDIF (MSVC)
ELSE (MSVC OR ANDROID OR PNACL)
SET(EXTRA_COMPILE_FLAGS "-msse2")
ENDIF (MSVC OR ANDROID OR PNACL)
ENDIF (APPLE AND (NOT PNACL))
IF(UNIX AND NOT CMAKE_BUILD_TYPE)
SET(CMAKE_BUILD_TYPE Release CACHE STRING "Debug or Release build" FORCE)
ENDIF (UNIX AND NOT CMAKE_BUILD_TYPE)
IF (NOT CMAKE_CXX_FLAGS_DEBUG)
SET(CMAKE_CXX_FLAGS_DEBUG "-g" CACHE STRING "To use when CMAKE_BUILD_TYPE=Debug" FORCE)
ENDIF (NOT CMAKE_CXX_FLAGS_DEBUG)
IF (NOT CMAKE_CXX_FLAGS_RELEASE)
IF (ANDROID)
SET(CMAKE_CXX_FLAGS_RELEASE "-mfloat-abi=softfp -march=armv7-a -mfpu=neon -funsafe-math-optimizations -O3 -DNDEBUG" CACHE STRING
"To use when CMAKE_BUILD_TYPE=Release" FORCE)
ELSE (ANDROID)
SET(CMAKE_CXX_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING
"To use when CMAKE_BUILD_TYPE=Release" FORCE)
ENDIF (ANDROID)
ENDIF (NOT CMAKE_CXX_FLAGS_RELEASE)
# Collect up information about the version of the OpenMM library we're building
# and make it available to the code so it can be built into the binaries.
SET(OPENMM_LIBRARY_NAME OpenMM)
SET(OPENMM_MAJOR_VERSION 7)
SET(OPENMM_MINOR_VERSION 1)
SET(OPENMM_BUILD_VERSION 0)
SET(OPENMM_COPYRIGHT_YEARS "2008-2015")
# underbar separated list of dotted authors, no spaces or commas
SET(OPENMM_AUTHORS "Peter.Eastman")
ADD_DEFINITIONS(-DOPENMM_LIBRARY_NAME=${OPENMM_LIBRARY_NAME}
-DOPENMM_MAJOR_VERSION=${OPENMM_MAJOR_VERSION}
-DOPENMM_MINOR_VERSION=${OPENMM_MINOR_VERSION}
-DOPENMM_BUILD_VERSION=${OPENMM_BUILD_VERSION})
# CMake quotes automatically when building Visual Studio projects but we need
# to add them ourselves for Linux or Cygwin. Two cases to avoid duplicate quotes
# in Visual Studio which end up in the binary.
IF (MSVC)
SET(NEED_QUOTES FALSE)
ELSE (MSVC)
SET(NEED_QUOTES TRUE)
ENDIF (MSVC)
##TODO: doesn't work without quotes in nightly build
SET(NEED_QUOTES TRUE)
IF(NEED_QUOTES)
ADD_DEFINITIONS(-DOPENMM_COPYRIGHT_YEARS="${OPENMM_COPYRIGHT_YEARS}"
-DOPENMM_AUTHORS="${OPENMM_AUTHORS}")
ELSE(NEED_QUOTES)
ADD_DEFINITIONS(-DOPENMM_COPYRIGHT_YEARS=${OPENMM_COPYRIGHT_YEARS}
-DOPENMM_AUTHORS=${OPENMM_AUTHORS})
ENDIF(NEED_QUOTES)
# -DOPENMM_TYPE has to be defined in the target subdirectories.
# -Dsimbody_EXPORTS defined automatically when Windows DLL build is being done.
# Report the version number to the CMake UI
SET(OPENMM_VERSION
"${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}.${OPENMM_BUILD_VERSION}"
CACHE STRING "This is the version of OpenMM which will be built." FORCE)
# We don't actually use this version for anything yet
MARK_AS_ADVANCED(OPENMM_VERSION)
SET(SHARED_TARGET ${OPENMM_LIBRARY_NAME})
SET(STATIC_TARGET ${OPENMM_LIBRARY_NAME}_static)
## If no one says otherwise, change the executable path to drop into the same binary
## location as the DLLs so that the test cases will use the just-build DLLs.
IF(NOT EXECUTABLE_OUTPUT_PATH)
SET(EXECUTABLE_OUTPUT_PATH ${PROJECT_BINARY_DIR}
CACHE INTERNAL "Single output directory for building all executables.")
ENDIF(NOT EXECUTABLE_OUTPUT_PATH)
IF(NOT LIBRARY_OUTPUT_PATH)
SET(LIBRARY_OUTPUT_PATH ${PROJECT_BINARY_DIR}
CACHE INTERNAL "Single output directory for building all libraries.")
ENDIF(NOT LIBRARY_OUTPUT_PATH)
SET(${PROJECT_NAME}_EXECUTABLE_DIR ${EXECUTABLE_OUTPUT_PATH}/${CMAKE_CFG_INTDIR})
SET(${PROJECT_NAME}_LIBRARY_DIR ${LIBRARY_OUTPUT_PATH}/${CMAKE_CFG_INTDIR})
# used by plugin
SET(OPENMM_DIR ${CMAKE_CURRENT_SOURCE_DIR})
# These are all the places to search for header files which are
# to be part of the API.
SET(API_INCLUDE_DIRS) # start empty
FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
# append
SET(API_INCLUDE_DIRS ${API_INCLUDE_DIRS}
${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include
${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include/openmm
${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include/openmm/internal)
ENDFOREACH(subdir)
# We'll need both *relative* path names, starting with their API_INCLUDE_DIRS,
# and absolute pathnames.
SET(API_REL_INCLUDE_FILES) # start these out empty
SET(API_ABS_INCLUDE_FILES)
FOREACH(dir ${API_INCLUDE_DIRS})
FILE(GLOB fullpaths ${dir}/*.h) # returns full pathnames
SET(API_ABS_INCLUDE_FILES ${API_ABS_INCLUDE_FILES} ${fullpaths})
FOREACH(pathname ${fullpaths})
GET_FILENAME_COMPONENT(filename ${pathname} NAME)
SET(API_REL_INCLUDE_FILES ${API_REL_INCLUDE_FILES} ${dir}/${filename})
ENDFOREACH(pathname)
ENDFOREACH(dir)
# collect up source files
SET(SOURCE_FILES) # empty
SET(SOURCE_INCLUDE_FILES)
FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
FILE(GLOB src_files ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*.cpp ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*/*.cpp)
FILE(GLOB incl_files ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/src/*.h)
SET(SOURCE_FILES ${SOURCE_FILES} ${src_files}) #append
SET(SOURCE_INCLUDE_FILES ${SOURCE_INCLUDE_FILES} ${incl_files})
## Make sure we find these locally before looking in OpenMM/include if
## OpenMM was previously installed there.
INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include)
ENDFOREACH(subdir)
IF (ANDROID OR PNACL)
SET_SOURCE_FILES_PROPERTIES(${CMAKE_SOURCE_DIR}/libraries/sfmt/src/SFMT.cpp PROPERTIES COMPILE_FLAGS "-UHAVE_SSE2")
ELSE (ANDROID OR PNACL)
SET_SOURCE_FILES_PROPERTIES(${CMAKE_SOURCE_DIR}/libraries/sfmt/src/SFMT.cpp PROPERTIES COMPILE_FLAGS "-DHAVE_SSE2=1")
ENDIF(ANDROID OR PNACL)
IF (NOT (ANDROID OR PNACL))
FILE(GLOB src_files ${CMAKE_CURRENT_SOURCE_DIR}/libraries/asmjit/*/*.cpp)
FILE(GLOB incl_files ${CMAKE_CURRENT_SOURCE_DIR}/libraries/asmjit/*.h)
SET(SOURCE_FILES ${SOURCE_FILES} ${src_files})
SET(SOURCE_INCLUDE_FILES ${SOURCE_INCLUDE_FILES} ${incl_files})
INCLUDE_DIRECTORIES(BEFORE "${CMAKE_CURRENT_SOURCE_DIR}/libraries/asmjit")
SET(EXTRA_COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DLEPTON_USE_JIT")
ENDIF (NOT (ANDROID OR PNACL))
# If API wrappers are being generated, and add them to the build.
SET(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS ON CACHE BOOL "Build wrappers for C and Fortran")
IF(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS)
ADD_SUBDIRECTORY(wrappers)
SET(SOURCE_FILES ${SOURCE_FILES} wrappers/OpenMMCWrapper.cpp wrappers/OpenMMFortranWrapper.cpp)
SET_SOURCE_FILES_PROPERTIES(wrappers/OpenMMCWrapper.cpp wrappers/OpenMMFortranWrapper.cpp PROPERTIES GENERATED TRUE)
ENDIF(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS)
INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/src)
SET(OPENMM_BUILD_SHARED_LIB ON CACHE BOOL "Whether to build shared OpenMM libraries")
SET(EXTRA_LINK_FLAGS ${EXTRA_COMPILE_FLAGS})
IF (CMAKE_SYSTEM_NAME MATCHES "Linux")
IF (NOT ANDROID)
SET(EXTRA_LINK_FLAGS "${EXTRA_LINK_FLAGS} -Wl,--no-as-needed -lrt")
ENDIF (NOT ANDROID)
ENDIF (CMAKE_SYSTEM_NAME MATCHES "Linux")
IF (MSVC)
SET(EXTRA_LINK_FLAGS)
ENDIF (MSVC)
IF(OPENMM_BUILD_SHARED_LIB)
ADD_LIBRARY(${SHARED_TARGET} SHARED ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_LINK_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_BUILDING_SHARED_LIBRARY -DLEPTON_BUILDING_SHARED_LIBRARY -DPTHREAD_BUILDING_SHARED_LIBRARY")
ENDIF(OPENMM_BUILD_SHARED_LIB)
SET(OPENMM_BUILD_STATIC_LIB OFF CACHE BOOL "Whether to build static OpenMM libraries")
IF(OPENMM_BUILD_STATIC_LIB)
ADD_LIBRARY(${STATIC_TARGET} STATIC ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
SET(EXTRA_COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_USE_STATIC_LIBRARIES -DLEPTON_USE_STATIC_LIBRARIES -DPTW32_STATIC_LIB")
SET_TARGET_PROPERTIES(${STATIC_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_LINK_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_BUILDING_STATIC_LIBRARY -DLEPTON_BUILDING_STATIC_LIBRARY -DPTHREAD_BUILDING_STATIC_LIBRARY")
ENDIF(OPENMM_BUILD_STATIC_LIB)
IF(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS)
ADD_DEPENDENCIES(${SHARED_TARGET} ApiWrappers)
IF(OPENMM_BUILD_STATIC_LIB)
ADD_DEPENDENCIES(${STATIC_TARGET} ApiWrappers)
ENDIF(OPENMM_BUILD_STATIC_LIB)
ENDIF(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS)
# On Linux need to link to libdl
FIND_LIBRARY(DL_LIBRARY dl)
IF(DL_LIBRARY)
IF(OPENMM_BUILD_SHARED_LIB)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${DL_LIBRARY} ${PTHREADS_LIB})
ENDIF(OPENMM_BUILD_SHARED_LIB)
IF(OPENMM_BUILD_STATIC_LIB)
TARGET_LINK_LIBRARIES(${STATIC_TARGET} ${DL_LIBRARY} ${PTHREADS_LIB})
ENDIF(OPENMM_BUILD_STATIC_LIB)
MARK_AS_ADVANCED(DL_LIBRARY)
ELSE(DL_LIBRARY)
IF(OPENMM_BUILD_SHARED_LIB)
IF (ANDROID)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${PTHREADS_LIB} cpufeatures)
ELSE (ANDROID)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${PTHREADS_LIB})
ENDIF (ANDROID)
ENDIF(OPENMM_BUILD_SHARED_LIB)
ENDIF(DL_LIBRARY)
IF(BUILD_TESTING)
INCLUDE_DIRECTORIES(${CMAKE_SOURCE_DIR}/tests)
ENDIF(BUILD_TESTING)
set(OPENMM_BUILD_REFERENCE_TESTS TRUE CACHE BOOL "Whether to build Reference platform test cases")
MARK_AS_ADVANCED(OPENMM_BUILD_REFERENCE_TESTS)
IF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)
ADD_SUBDIRECTORY(platforms/reference/tests)
ENDIF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)
# Which hardware platforms to build
# A bit of tedium because we are using custom FindCUDA files that happen to work...
SET(FINDCUDA_DIR "${CMAKE_CURRENT_SOURCE_DIR}/cmake_modules/FindCUDA")
SET(CUDA_BUILD_CUBIN OFF)
FIND_PACKAGE(CUDA QUIET)
IF(CUDA_FOUND)
IF(NOT CUDA_NVCC_FLAGS)
SET(FLAGS "")
# Note that cmake will insert semicolons between these item automatically...
SET(FLAGS ${FLAGS} -gencode arch=compute_11,code=sm_11)
SET(FLAGS ${FLAGS} -gencode arch=compute_12,code=sm_12)
SET(FLAGS ${FLAGS} -gencode arch=compute_13,code=sm_13)
SET(FLAGS ${FLAGS} -gencode arch=compute_20,code=sm_20)
SET(FLAGS ${FLAGS} -use_fast_math)
IF(MSVC)
# Unfortunately the variables CUDA_NVCC_FLAGS_RELEASE and CUDA_NVCC_FLAGS_DEBUG
# appear to be unused, at least in CMake 2.6
# Release /MD linkage
set(FLAGS ${FLAGS} "-Xcompiler \"/MD\" -DOPENMMCUDA_BUILDING_SHARED_LIBRARY")
ENDIF(MSVC)
SET(CUDA_NVCC_FLAGS "${FLAGS}"
CACHE STRING "Semicolon delimit multiple arguments")
ENDIF(NOT CUDA_NVCC_FLAGS)
SET(OPENMM_BUILD_CUDA_LIB ON CACHE BOOL "Build OpenMMCuda library for Nvidia GPUs")
# I wish I was not hardcoding /MD here
# Avoid strange windows link error with cuda free energy
# plugin by specifying /MD to CUDA_NVCC_FLAGS
MARK_AS_ADVANCED(CLEAR CUDA_NVCC_FLAGS)
IF(MSVC)
# Unfortunately the variables CUDA_NVCC_FLAGS_RELEASE and CUDA_NVCC_FLAGS_DEBUG
# appear to be unused, at least in CMake 2.6
# Release /MD linkage
SET(HAS_NVCC_FLAG FALSE)
IF(CUDA_NVCC_FLAGS MATCHES "-Xcompiler")
SET(HAS_NVCC_FLAG TRUE)
ENDIF(CUDA_NVCC_FLAGS MATCHES "-Xcompiler")
IF(NOT HAS_NVCC_FLAG)
set(new_flags "-Xcompiler \"/MD\" -DOPENMMCUDA_BUILDING_SHARED_LIBRARY")
if(CUDA_NVCC_FLAGS)
set(new_flags "${CUDA_NVCC_FLAGS};${new_flags}")
endif(CUDA_NVCC_FLAGS)
SET(CUDA_NVCC_FLAGS "${new_flags}"
CACHE STRING "Semicolon delimit multiple arguments" FORCE)
ENDIF(NOT HAS_NVCC_FLAG)
ENDIF(MSVC)
ELSE(CUDA_FOUND)
SET(OPENMM_BUILD_CUDA_LIB OFF CACHE BOOL "Build OpenMMCuda library for Nvidia GPUs")
ENDIF(CUDA_FOUND)
IF(OPENMM_BUILD_CUDA_LIB)
ADD_SUBDIRECTORY(platforms/cuda)
ENDIF(OPENMM_BUILD_CUDA_LIB)
MARK_AS_ADVANCED(CUDA_VERBOSE_BUILD)
MARK_AS_ADVANCED(CUDA_BUILD_CUBIN)
MARK_AS_ADVANCED(CUDA_BUILD_EMULATION)
MARK_AS_ADVANCED(CUDA_HOST_COMPILER CUDA_HOST_COMPILER_OPTIONS)
FIND_PACKAGE(OpenCL QUIET)
IF(OPENCL_FOUND)
SET(OPENMM_BUILD_OPENCL_LIB ON CACHE BOOL "Build OpenMMOpenCL library")
ELSE(OPENCL_FOUND)
SET(OPENMM_BUILD_OPENCL_LIB OFF CACHE BOOL "Build OpenMMOpenCL library")
ENDIF(OPENCL_FOUND)
IF(OPENMM_BUILD_OPENCL_LIB)
ADD_SUBDIRECTORY(platforms/opencl)
ENDIF(OPENMM_BUILD_OPENCL_LIB)
# Optimized CPU platform
SET(OPENMM_BUILD_CPU_LIB ON CACHE BOOL "Build optimized CPU platform")
IF(OPENMM_BUILD_CPU_LIB)
ADD_SUBDIRECTORY(platforms/cpu)
ENDIF(OPENMM_BUILD_CPU_LIB)
# Amoeba plugin
SET(OPENMM_BUILD_AMOEBA_PLUGIN ON CACHE BOOL "Build Amoeba plugin")
SET(OPENMM_BUILD_AMOEBA_PATH)
IF(OPENMM_BUILD_AMOEBA_PLUGIN)
SET(OPENMM_BUILD_AMOEBA_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/amoeba)
ADD_SUBDIRECTORY(plugins/amoeba)
ENDIF(OPENMM_BUILD_AMOEBA_PLUGIN)
# RPMD plugin
SET(OPENMM_BUILD_RPMD_PLUGIN ON CACHE BOOL "Build RPMD plugin")
SET(OPENMM_BUILD_RPMD_PATH)
IF(OPENMM_BUILD_RPMD_PLUGIN)
SET(OPENMM_BUILD_RPMD_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/rpmd)
ADD_SUBDIRECTORY(plugins/rpmd)
ENDIF(OPENMM_BUILD_RPMD_PLUGIN)
# Drude plugin
SET(OPENMM_BUILD_DRUDE_PLUGIN ON CACHE BOOL "Build Drude plugin")
SET(OPENMM_BUILD_DRUDE_PATH)
IF(OPENMM_BUILD_DRUDE_PLUGIN)
SET(OPENMM_BUILD_DRUDE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/drude)
ADD_SUBDIRECTORY(plugins/drude)
ENDIF(OPENMM_BUILD_DRUDE_PLUGIN)
# CPU PME plugin
FIND_PACKAGE(FFTW QUIET)
IF(FFTW_FOUND)
SET(OPENMM_BUILD_PME_PLUGIN ON CACHE BOOL "Build CPU PME plugin")
ELSE(FFTW_FOUND)
SET(OPENMM_BUILD_PME_PLUGIN OFF CACHE BOOL "Build CPU PME plugin")
ENDIF(FFTW_FOUND)
SET(OPENMM_BUILD_PME_PATH)
IF(OPENMM_BUILD_PME_PLUGIN)
SET(OPENMM_BUILD_PME_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/cpupme)
ADD_SUBDIRECTORY(plugins/cpupme)
ENDIF(OPENMM_BUILD_PME_PLUGIN)
# CUDA compiler plugin
GET_FILENAME_COMPONENT(CUDA_LIB_DIR "${CUDA_cufft_LIBRARY}" PATH)
FIND_LIBRARY(CUDA_nvrtc_LIBRARY nvrtc "${CUDA_LIB_DIR}")
IF(CUDA_nvrtc_LIBRARY)
SET(OPENMM_BUILD_CUDA_COMPILER_PLUGIN ON CACHE BOOL "Build CUDA runtime compiler plugin")
ELSE(CUDA_nvrtc_LIBRARY)
SET(OPENMM_BUILD_CUDA_COMPILER_PLUGIN OFF CACHE BOOL "Build CUDA runtime compiler plugin")
ENDIF(CUDA_nvrtc_LIBRARY)
SET(OPENMM_BUILD_CUDACOMPILER_PATH)
IF(OPENMM_BUILD_CUDA_COMPILER_PLUGIN)
SET(OPENMM_BUILD_CUDACOMPILER_PATH ${CMAKE_CURRENT_SOURCE_DIR}/plugins/cudacompiler)
ADD_SUBDIRECTORY(plugins/cudacompiler)
ENDIF(OPENMM_BUILD_CUDA_COMPILER_PLUGIN)
IF(OPENMM_BUILD_SHARED_LIB)
INSTALL_TARGETS(/lib RUNTIME_DIRECTORY /lib ${SHARED_TARGET})
ENDIF(OPENMM_BUILD_SHARED_LIB)
IF(OPENMM_BUILD_STATIC_LIB)
INSTALL_TARGETS(/lib RUNTIME_DIRECTORY /lib ${STATIC_TARGET})
ENDIF(OPENMM_BUILD_STATIC_LIB)
FILE(GLOB CORE_HEADERS include/*.h */include/*.h)
FILE(GLOB TOP_HEADERS include/openmm/*.h */include/openmm/*.h)
FILE(GLOB INTERNAL_HEADERS include/openmm/internal/*.h */include/openmm/internal/*.h )
FILE(GLOB REFERENCE_HEADERS platforms/reference/include/*.h)
FILE(GLOB LEPTON_HEADERS libraries/lepton/include/lepton/*.h)
FILE(GLOB SFMT_HEADERS libraries/sfmt/include/sfmt/SFMT.h)
INSTALL_FILES(/include FILES ${CORE_HEADERS})
INSTALL_FILES(/include/openmm FILES ${TOP_HEADERS})
INSTALL_FILES(/include/openmm/internal FILES ${INTERNAL_HEADERS})
INSTALL_FILES(/include/openmm/reference FILES ${REFERENCE_HEADERS})
INSTALL_FILES(/include/lepton FILES ${LEPTON_HEADERS})
INSTALL_FILES(/include/sfmt FILES ${SFMT_HEADERS})
# Serialization support
ADD_SUBDIRECTORY(serialization)
FILE(GLOB serialization_files ${CMAKE_SOURCE_DIR}/serialization/src/*.cpp)
SET_SOURCE_FILES_PROPERTIES(${serialization_files} PROPERTIES COMPILE_FLAGS "-DOPENMM_BUILDING_SHARED_LIBRARY -DTIXML_USE_STL -DIEEE_8087")
# Python wrappers
SET(OPENMM_BUILD_PYTHON_WRAPPERS ON CACHE BOOL "Build wrappers for Python")
IF(OPENMM_BUILD_PYTHON_WRAPPERS)
IF(NOT OPENMM_BUILD_AMOEBA_PLUGIN)
MESSAGE(SEND_ERROR "The Python wrappers require that the AMOEBA plugin be built.")
ENDIF(NOT OPENMM_BUILD_AMOEBA_PLUGIN)
IF(NOT OPENMM_BUILD_RPMD_PLUGIN)
MESSAGE(SEND_ERROR "The Python wrappers require that the RPMD plugin be built.")
ENDIF(NOT OPENMM_BUILD_RPMD_PLUGIN)
IF(NOT OPENMM_BUILD_DRUDE_PLUGIN)
MESSAGE(SEND_ERROR "The Python wrappers require that the Drude plugin be built.")
ENDIF(NOT OPENMM_BUILD_DRUDE_PLUGIN)
ADD_SUBDIRECTORY(wrappers/python)
ENDIF(OPENMM_BUILD_PYTHON_WRAPPERS)
#
# Allow automated build and dashboard.
#
# redundant INCLUDE(Dart) statement
# INCLUDE (Dart)
#IF (UNIX AND NOT CYGWIN AND NOT APPLE)
# IF (NOT CMAKE_BUILD_TYPE OR CMAKE_BUILD_TYPE MATCHES Debug)
# ADD_DEFINITIONS(-fprofile-arcs -ftest-coverage)
# LINK_LIBRARIES(gcov)
# ENDIF (NOT CMAKE_BUILD_TYPE OR CMAKE_BUILD_TYPE MATCHES Debug)
#ENDIF (UNIX AND NOT CYGWIN AND NOT APPLE)
#
# Testing
#
ENABLE_TESTING()
IF (EXECUTABLE_OUTPUT_PATH)
SET (TEST_PATH ${EXECUTABLE_OUTPUT_PATH})
ELSE (EXECUTABLE_OUTPUT_PATH)
SET (TEST_PATH .)
ENDIF (EXECUTABLE_OUTPUT_PATH)
ADD_SUBDIRECTORY(docs-source)
IF(BUILD_TESTING)
ADD_SUBDIRECTORY(tests)
ENDIF(BUILD_TESTING)
SET(OPENMM_BUILD_EXAMPLES ON CACHE BOOL "Build example executables")
IF(OPENMM_BUILD_EXAMPLES)
ADD_SUBDIRECTORY(examples)
ENDIF(OPENMM_BUILD_EXAMPLES)
ENDIF(NOT cmv EQUAL "2.4") # This whole file...