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36 set(GMXPREPROCESS_SOURCES
73 gctio.c ionize.c runner.c
74 do_gct.c repl_ex.c xutils.c pme_loadbal.c
75 md.c mdrun.c genalg.c membed.c)
77 add_library(gmxpreprocess ${GMXPREPROCESS_SOURCES})
78 target_link_libraries(gmxpreprocess md)
79 set_target_properties(gmxpreprocess PROPERTIES OUTPUT_NAME "gmxpreprocess${GMX_LIBS_SUFFIX}" SOVERSION ${SOVERSION}
80 COMPILE_FLAGS "${OpenMP_C_FLAGS}")
84 include_directories(${CMAKE_SOURCE_DIR}/src/gmxlib/gpu_utils)
88 # Even though the OpenMM build has "moved to contrib", many things
89 # have be be done from within the scope of the CMakeLists.txt that
90 # builds its mdrun, and that is here
91 list(APPEND CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/src/contrib)
93 include_directories(${CMAKE_CURRENT_SOURCE_DIR})
94 include(${CMAKE_SOURCE_DIR}/src/contrib/BuildMdrunOpenMM.cmake)
97 if(GMX_GPU OR GMX_FORCE_CXX)
98 set_source_files_properties(main.c PROPERTIES LANGUAGE CXX)
99 if ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang")
100 set_source_files_properties(main.c PROPERTIES COMPILE_FLAGS "-x c++")
105 add_library(fahcore ${MDRUN_SOURCES})
108 set(GMX_KERNEL_PROGRAMS
109 grompp tpbconv pdb2gmx g_protonate gmxdump g_x2top gmxcheck)
110 if (NOT GMX_NO_QUOTES)
111 set(GMX_KERNEL_PROGRAMS ${GMX_KERNEL_PROGRAMS} g_luck)
112 endif (NOT GMX_NO_QUOTES)
115 foreach(PROGRAM ${GMX_KERNEL_PROGRAMS})
116 add_executable(${PROGRAM} ${PROGRAM}.c main.c)
117 if (NOT ${PROGRAM} STREQUAL "g_luck")
118 gmx_add_man_page(${PROGRAM})
120 target_link_libraries(${PROGRAM} gmxpreprocess md gmx ${OpenMP_LINKER_FLAGS})
121 set_target_properties(${PROGRAM} PROPERTIES OUTPUT_NAME "${PROGRAM}${GMX_BINARY_SUFFIX}")
124 add_executable(mdrun ${MDRUN_SOURCES} main.c)
125 gmx_add_man_page(mdrun)
126 target_link_libraries(mdrun gmxpreprocess md gmx ${OpenMP_LINKER_FLAGS})
127 set_target_properties(mdrun PROPERTIES OUTPUT_NAME "mdrun${GMX_BINARY_SUFFIX}" COMPILE_FLAGS "${OpenMP_C_FLAGS}")
130 target_link_libraries(mdrun openmm_api_wrapper)
133 # Construct component groups for installation; note that a component may
134 # belong to only one group
135 foreach(PROGRAM ${GMX_KERNEL_PROGRAMS})
136 set(CPACK_COMPONENT_${PROGRAM}_GROUP tools)
138 set(CPACK_COMPONENT_MDRUN_GROUP mdrun)
140 foreach(PROGRAM ${GMX_KERNEL_PROGRAMS} mdrun)
141 # Manage CPack component dependencies
142 set(CPACK_COMPONENT_${PROGRAM}_DEPENDS libraries libraries-gmxpreprocess)
144 # Create custom install-xxxx target
145 if (BUILD_SHARED_LIBS)
146 # If shared libraries are used, we need to install the libraries in
147 # addition to the mdrun binary.
148 add_custom_target(install-${PROGRAM}
149 COMMAND ${CMAKE_COMMAND} -DCOMPONENT=libraries
150 -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
151 COMMAND ${CMAKE_COMMAND} -DCOMPONENT=libraries-gmxpreprocess
152 -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
153 COMMAND ${CMAKE_COMMAND} -DCOMPONENT=${PROGRAM}
154 -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
155 COMMENT "Installing ${PROGRAM}")
157 add_custom_target(install-${PROGRAM}
158 COMMAND ${CMAKE_COMMAND} -DCOMPONENT=${PROGRAM}
159 -P ${CMAKE_BINARY_DIR}/cmake_install.cmake
160 COMMENT "Installing ${PROGRAM}")
162 add_dependencies(install-${PROGRAM} ${PROGRAM})
164 # Finally, trigger installation
168 DESTINATION ${BIN_INSTALL_DIR}
172 install(TARGETS gmxpreprocess DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries-gmxpreprocess)
174 if (INSTALL_CUDART_LIB) #can be set manual by user
176 foreach(CUDA_LIB ${CUDA_LIBRARIES})
177 string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
178 if(IS_CUDART) #libcuda should not be installed
179 #install also name-links (linker uses those)
180 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
181 install(FILES ${CUDA_LIBS} DESTINATION
182 ${LIB_INSTALL_DIR} COMPONENT libraries)
186 message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_GPU")
191 configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgmxpreprocess.pc.cmakein ${CMAKE_CURRENT_BINARY_DIR}/libgmxpreprocess.pc @ONLY)
192 install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgmxpreprocess.pc
193 DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
194 RENAME "libgmxpreprocess${GMX_LIBS_SUFFIX}.pc"
195 COMPONENT development)