#--------------------------------------------------- # OpenMM FreeEnergy Plugin # # Creates OpenMM FreeEnergy plugin library, base name=OpenMMFreeEnergy. # Default libraries are shared & optimized. Variants # are created for static (_static) and debug (_d). # # Windows: # OpenMMFreeEnergy[_d].dll # OpenMMFreeEnergy[_d].lib # OpenMMFreeEnergy_static[_d].lib # Unix: # libOpenMMFreeEnergy[_d].so # libOpenMMFreeEnergy_static[_d].a #---------------------------------------------------- #INCLUDE(Dart) SET(LOG TRUE) # ---------------------------------------------------------------------------- IF(LOG) SET(LOG_FILE "CMakeLog.txt" ) FILE( WRITE ${LOG_FILE} "In OpenMM Cmake\n") ENDIF(LOG) IF(LOG) MACRO(LOG_DIR LOG_FILE DIR_LIST ) FILE( APPEND ${LOG_FILE} "\n${DIR_LIST}\n") FOREACH(currentFile ${ARGN}) FILE( APPEND ${LOG_FILE} " ${currentFile}\n" ) ENDFOREACH(currentFile) ENDMACRO(LOG_DIR) ENDIF(LOG) # ---------------------------------------------------------------------------- # The source is organized into subdirectories, but we handle them all from # this CMakeLists file rather than letting CMake visit them as SUBDIRS. SET(OPENMM_FREE_ENERGY_PLUGIN_SOURCE_SUBDIRS . openmmapi platforms/reference) # Collect up information about the version of the OpenMM library we're building # and make it available to the code so it can be built into the binaries. SET(OPENMM_FREE_ENERGY_LIBRARY_NAME OpenMMFreeEnergy) SET(OPENMM_FREE_ENERGY_MAJOR_VERSION 1) SET(OPENMM_FREE_ENERGY_MINOR_VERSION 0) SET(OPENMM_FREE_ENERGY_BUILD_VERSION 0) ADD_DEFINITIONS(-DOPENMM_FREE_ENERGY_LIBRARY_NAME=${OPENMM_FREE_ENERGY_LIBRARY_NAME} -DOPENMM_FREE_ENERGY_MAJOR_VERSION=${OPENMM_FREE_ENERGY_MAJOR_VERSION} -DOPENMM_FREE_ENERGY_MINOR_VERSION=${OPENMM_FREE_ENERGY_MINOR_VERSION} -DOPENMM_FREE_ENERGY_BUILD_VERSION=${OPENMM_FREE_ENERGY_BUILD_VERSION}) SET(SHARED_FREE_ENERGY_TARGET ${OPENMM_FREE_ENERGY_LIBRARY_NAME}) SET(STATIC_FREE_ENERGY_TARGET ${OPENMM_FREE_ENERGY_LIBRARY_NAME}_static) # But on Unix or Cygwin we have to add the suffix manually IF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug) SET(SHARED_FREE_ENERGY_TARGET ${SHARED_FREE_ENERGY_TARGET}_d) SET(STATIC_FREE_ENERGY_TARGET ${STATIC_FREE_ENERGY_TARGET}_d) ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug) # These are all the places to search for header files which are # to be part of the API. SET(API_FREE_ENERGY_INCLUDE_DIRS) # start empty FOREACH(subdir ${OPENMM_FREE_ENERGY_PLUGIN_SOURCE_SUBDIRS}) # append SET(API_FREE_ENERGY_INCLUDE_DIRS ${API_FREE_ENERGY_INCLUDE_DIRS} ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include/internal) ENDFOREACH(subdir) # We'll need both *relative* path names, starting with their API_INCLUDE_DIRS, # and absolute pathnames. SET(API_FREE_ENERGY_REL_INCLUDE_FILES) # start these out empty SET(API_FREE_ENERGY_ABS_INCLUDE_FILES) FOREACH(dir ${API_FREE_ENERGY_INCLUDE_DIRS}) FILE(GLOB fullpaths ${dir}/*.h) # returns full pathnames SET(API_FREE_ENERGY_ABS_INCLUDE_FILES ${API_FREE_ENERGY_ABS_INCLUDE_FILES} ${fullpaths}) FOREACH(pathname ${fullpaths}) GET_FILENAME_COMPONENT(filename ${pathname} NAME) SET(API_FREE_ENERGY_REL_INCLUDE_FILES ${API_FREE_ENERGY_REL_INCLUDE_FILES} ${dir}/${filename}) ENDFOREACH(pathname) ENDFOREACH(dir) # collect up source files SET(SOURCE_FREE_ENERGY_FILES) # empty SET(SOURCE_FREE_ENERGY_INCLUDE_FILES) FOREACH(subdir ${OPENMM_FREE_ENERGY_PLUGIN_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_FREE_ENERGY_FILES ${SOURCE_FREE_ENERGY_FILES} ${src_files}) #append SET(SOURCE_FREE_ENERGY_INCLUDE_FILES ${SOURCE_FREE_ENERGY_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) INCLUDE_DIRECTORIES(BEFORE ${OPENMM_DIR}/platforms/reference/src) INCLUDE_DIRECTORIES(BEFORE ${OPENMM_DIR}/platforms/reference/src/SimTKReference) # ---------------------------------------------------------------------------- IF(LOG) FILE( APPEND ${LOG_FILE} "SOURCE_FREE_ENERGY_FILES=" ${SOURCE_FREE_ENERGY_FILES} "\n" ) FILE( APPEND ${LOG_FILE} "SOURCE_FREE_ENERGY_INCLUDE_FILES=" ${SOURCE_FREE_ENERGY_INCLUDE_FILES} "\n" ) FILE( APPEND ${LOG_FILE} "OPENMM_PATH=" ${OPENMM_PATH} "\n" ) FILE( APPEND ${LOG_FILE} "CUDA_PATH=" ${CUDA_PATH} "\n" ) ENDIF(LOG) # ---------------------------------------------------------------------------- # If API_FREE_ENERGY wrappers are being generated, and add them to the build. #SET(OPENMM_BUILD_API_FREE_ENERGY_WRAPPERS OFF CACHE BOOL "Build wrappers for C and Fortran") #IF(OPENMM_BUILD_API_FREE_ENERGY_WRAPPERS) # ADD_SUBDIRECTORY(wrappers) # SET(SOURCE_FREE_ENERGY_FILES ${SOURCE_FREE_ENERGY_FILES} wrappers/OpenMMCWrapper.cpp wrappers/OpenMMFortranWrapper.cpp) # SET_SOURCE_FREE_ENERGY_FILES_PROPERTIES(wrappers/OpenMMCWrapper.cpp wrappers/OpenMMFortranWrapper.cpp PROPERTIES GENERATED TRUE) #ENDIF(OPENMM_BUILD_API_FREE_ENERGY_WRAPPERS) INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/src) ADD_LIBRARY(${SHARED_FREE_ENERGY_TARGET} SHARED ${SOURCE_FREE_ENERGY_FILES} ${SOURCE_FREE_ENERGY_INCLUDE_FILES} ${API_FREE_ENERGY_ABS_INCLUDE_FILES}) SET_TARGET_PROPERTIES(${SHARED_FREE_ENERGY_TARGET} PROPERTIES COMPILE_FLAGS "-DOPENMM_BUILDING_SHARED_LIBRARY -DLEPTON_BUILDING_SHARED_LIBRARY") ADD_LIBRARY(${STATIC_FREE_ENERGY_TARGET} STATIC ${SOURCE_FREE_ENERGY_FILES} ${SOURCE_FREE_ENERGY_INCLUDE_FILES} ${API_FREE_ENERGY_ABS_INCLUDE_FILES}) SET_TARGET_PROPERTIES(${STATIC_FREE_ENERGY_TARGET} PROPERTIES COMPILE_FLAGS "-DOPENMM_USE_STATIC_LIBRARIES -DOPENMM_BUILDING_STATIC_LIBRARY -DLEPTON_USE_STATIC_LIBRARIES -DLEPTON_BUILDING_STATIC_LIBRARY") #IF(OPENMM_BUILD_API_FREE_ENERGY_WRAPPERS) # ADD_DEPENDENCIES(${SHARED_FREE_ENERGY_TARGET} ApiWrappers) # ADD_DEPENDENCIES(${STATIC_FREE_ENERGY_TARGET} ApiWrappers) #ENDIF(OPENMM_BUILD_API_FREE_ENERGY_WRAPPERS) # On Linux need to link to libdl FIND_LIBRARY(DL_LIBRARY dl) IF(DL_LIBRARY) TARGET_LINK_LIBRARIES(${SHARED_FREE_ENERGY_TARGET} ${DL_LIBRARY}) TARGET_LINK_LIBRARIES(${STATIC_FREE_ENERGY_TARGET} ${DL_LIBRARY}) ENDIF(DL_LIBRARY) SET( OpenMMLib OpenMM ) # But on Unix or Cygwin we have to add the suffix manually IF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug) SET(OpenMMLib ${OpenMMLib}_d) ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug) TARGET_LINK_LIBRARIES( ${SHARED_FREE_ENERGY_TARGET} ${SHARED_TARGET} ) TARGET_LINK_LIBRARIES( ${STATIC_FREE_ENERGY_TARGET} ${STATIC_TARGET} ) ADD_SUBDIRECTORY(platforms/reference/tests) # Which hardware platforms to build SET(OPENMM_BUILD_FREE_ENERGY_CUDA_LIB OFF CACHE BOOL "Build OpenMMFreeEnergyCuda library for Nvidia GPUs") SET(OPENMM_BUILD_FREE_ENERGY_PATH) SET(OPENMM_BUILD_FREE_ENERGY_CUDA_PATH) IF(OPENMM_BUILD_FREE_ENERGY_CUDA_LIB) ADD_SUBDIRECTORY(platforms/cuda) SET(OPENMM_BUILD_FREE_ENERGY_PATH ${CMAKE_CURRENT_SOURCE_DIR}/platforms/cuda) SET(OPENMM_BUILD_FREE_ENERGY_CUDA_PATH ${CMAKE_CURRENT_SOURCE_DIR}/platforms/cuda) SET(OPENMM_FREE_ENERGY_CUDA_SOURCE_SUBDIRS . openmmapi olla platforms/cuda) ENDIF(OPENMM_BUILD_FREE_ENERGY_CUDA_LIB) #SET(OPENMM_BUILD_BROOK_LIB OFF CACHE BOOL "Build OpenMMBrook library for ATI GPUs") #IF(OPENMM_BUILD_BROOK_LIB) # ADD_SUBDIRECTORY(platforms/brook) #ENDIF(OPENMM_BUILD_BROOK_LIB) # #SET(OPENMM_BUILD_OPENCL_LIB OFF CACHE BOOL "Build OpenMMOpenCL library for Nvidia GPUs") #IF(OPENMM_BUILD_OPENCL_LIB) # ADD_SUBDIRECTORY(platforms/opencl) #ENDIF(OPENMM_BUILD_OPENCL_LIB) INSTALL_TARGETS(/lib RUNTIME_DIRECTORY /lib ${SHARED_FREE_ENERGY_TARGET}) INSTALL_TARGETS(/lib RUNTIME_DIRECTORY /lib ${STATIC_FREE_ENERGY_TARGET}) 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 ) INSTALL_FILES(/include FILES ${CORE_HEADERS}) INSTALL_FILES(/include/openmm FILES ${TOP_HEADERS}) INSTALL_FILES(/include/openmm/internal FILES ${INTERNAL_HEADERS}) # # Allow automated build and dashboard. # #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) #INCLUDE(ApiDoxygen.cmake) #ADD_SUBDIRECTORY(tests) #ADD_SUBDIRECTORY(examples)