2 # This file is part of the GROMACS molecular simulation package.
4 # Copyright (c) 2010,2011,2012,2013,2014,2015,2016,2017, by the GROMACS development team, led by
5 # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 # and including many others, as listed in the AUTHORS file in the
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14 # GROMACS is distributed in the hope that it will be useful,
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33 # the research papers on the package. Check out http://www.gromacs.org.
35 set(LIBGROMACS_SOURCES)
38 include(gmxClangCudaUtils)
41 set_property(GLOBAL PROPERTY GMX_LIBGROMACS_SOURCES)
42 set_property(GLOBAL PROPERTY GMX_INSTALLED_HEADERS)
44 function (_gmx_add_files_to_property PROPERTY)
45 foreach (_file ${ARGN})
46 if (IS_ABSOLUTE "${_file}")
47 set_property(GLOBAL APPEND PROPERTY ${PROPERTY} ${_file})
49 set_property(GLOBAL APPEND PROPERTY ${PROPERTY}
50 ${CMAKE_CURRENT_LIST_DIR}/${_file})
55 function (gmx_add_libgromacs_sources)
56 _gmx_add_files_to_property(GMX_LIBGROMACS_SOURCES ${ARGN})
59 function (gmx_install_headers)
60 if (NOT GMX_BUILD_MDRUN_ONLY)
61 file(RELATIVE_PATH _dest ${PROJECT_SOURCE_DIR}/src ${CMAKE_CURRENT_LIST_DIR})
63 DESTINATION "${INCL_INSTALL_DIR}/${_dest}"
64 COMPONENT development)
66 _gmx_add_files_to_property(GMX_INSTALLED_HEADERS ${ARGN})
69 function (gmx_write_installed_header_list)
70 get_property(_list GLOBAL PROPERTY GMX_INSTALLED_HEADERS)
71 string(REPLACE ";" "\n" _list "${_list}")
72 # TODO: Make this only update the file timestamp if the contents actually change.
73 file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/installed-headers.txt "${_list}")
76 add_subdirectory(gmxlib)
77 add_subdirectory(mdlib)
78 add_subdirectory(applied-forces)
79 add_subdirectory(listed-forces)
80 add_subdirectory(commandline)
81 add_subdirectory(domdec)
82 add_subdirectory(ewald)
84 add_subdirectory(gpu_utils)
85 add_subdirectory(hardware)
86 add_subdirectory(linearalgebra)
87 add_subdirectory(math)
88 add_subdirectory(mdrunutility)
89 add_subdirectory(mdtypes)
90 add_subdirectory(onlinehelp)
91 add_subdirectory(options)
92 add_subdirectory(pbcutil)
93 add_subdirectory(random)
94 add_subdirectory(tables)
95 add_subdirectory(taskassignment)
96 add_subdirectory(timing)
97 add_subdirectory(topology)
98 add_subdirectory(trajectory)
99 add_subdirectory(utility)
100 add_subdirectory(fileio)
101 add_subdirectory(swap)
102 add_subdirectory(essentialdynamics)
103 add_subdirectory(pulling)
104 add_subdirectory(awh)
105 add_subdirectory(simd)
106 add_subdirectory(imd)
107 if (NOT GMX_BUILD_MDRUN_ONLY)
108 add_subdirectory(gmxana)
109 add_subdirectory(gmxpreprocess)
110 add_subdirectory(correlationfunctions)
111 add_subdirectory(statistics)
112 add_subdirectory(analysisdata)
113 add_subdirectory(selection)
114 add_subdirectory(trajectoryanalysis)
115 add_subdirectory(energyanalysis)
116 add_subdirectory(tools)
119 get_property(PROPERTY_SOURCES GLOBAL PROPERTY GMX_LIBGROMACS_SOURCES)
120 list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${MDLIB_SOURCES} ${PROPERTY_SOURCES})
122 # This would be the standard way to include thread_mpi, but
123 # we want libgromacs to link the functions directly
125 # add_subdirectory(thread_mpi)
127 #target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB})
129 tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src)
130 list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES})
132 get_lmfit_properties(LMFIT_SOURCES LMFIT_LIBRARIES_TO_LINK LMFIT_INCLUDE_DIRECTORY LMFIT_INCLUDE_DIR_ORDER)
133 include_directories(${LMFIT_INCLUDE_DIR_ORDER} SYSTEM "${LMFIT_INCLUDE_DIRECTORY}")
134 list(APPEND LIBGROMACS_SOURCES ${LMFIT_SOURCES})
136 configure_file(version.h.cmakein version.h)
145 ${CMAKE_CURRENT_BINARY_DIR}/version.h
148 # This code is here instead of utility/CMakeLists.txt, because CMake
149 # custom commands and source file properties can only be set in the directory
150 # that contains the target that uses them.
151 # TODO: Generate a header instead that can be included from baseversion.c.
152 # That probably simplifies things somewhat.
153 set(GENERATED_VERSION_FILE utility/baseversion-gen.c)
154 gmx_configure_version_file(
155 utility/baseversion-gen.c.cmakein ${GENERATED_VERSION_FILE}
157 list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
159 # set up CUDA compilation with clang
161 foreach (_file ${LIBGROMACS_SOURCES})
162 get_filename_component(_ext ${_file} EXT)
163 if (${_ext} STREQUAL ".cu")
164 gmx_compile_cuda_file_with_clang(${_file})
170 # Work around FindCUDA that prevents using target_link_libraries()
171 # with keywords otherwise...
172 set(CUDA_LIBRARIES PRIVATE ${CUDA_LIBRARIES})
173 if (NOT GMX_CLANG_CUDA)
174 cuda_add_library(libgromacs ${LIBGROMACS_SOURCES})
176 add_library(libgromacs ${LIBGROMACS_SOURCES})
178 target_link_libraries(libgromacs PRIVATE ${CUDA_CUFFT_LIBRARIES})
180 add_library(libgromacs ${LIBGROMACS_SOURCES})
183 # Recent versions of gcc and clang give warnings on scanner.cpp, which
184 # is a generated source file. These are awkward to suppress inline, so
185 # we do it in the compilation command (after testing that the compiler
186 # supports the suppressions).
187 include(CheckCXXCompilerFlag)
188 check_cxx_compiler_flag(-Wno-unused HAS_NO_UNUSED)
190 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-unused-parameter -Wno-unused-function")
192 set_source_files_properties(selection/scanner.cpp PROPERTIES COMPILE_FLAGS "${_scanner_cpp_compiler_flags}")
194 gmx_setup_tng_for_libgromacs()
196 target_link_libraries(libgromacs
199 ${GMX_EXTRA_LIBRARIES}
200 ${GMX_COMMON_LIBRARIES}
201 ${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
202 ${LMFIT_LIBRARIES_TO_LINK}
203 ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS} ${OPENCL_LIBRARIES}
204 ${GMX_STDLIB_LIBRARIES}
206 ${GMX_PUBLIC_LIBRARIES}
208 set_target_properties(libgromacs PROPERTIES
209 OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
210 SOVERSION ${LIBRARY_SOVERSION_MAJOR}
211 VERSION ${LIBRARY_VERSION}
212 COMPILE_FLAGS "${OpenMP_C_FLAGS}")
214 gmx_write_installed_header_list()
216 # Only install the library in mdrun-only mode if it is actually necessary
218 if (NOT GMX_BUILD_MDRUN_ONLY OR BUILD_SHARED_LIBS)
219 install(TARGETS libgromacs
221 LIBRARY DESTINATION ${LIB_INSTALL_DIR}
222 RUNTIME DESTINATION ${BIN_INSTALL_DIR}
223 ARCHIVE DESTINATION ${LIB_INSTALL_DIR}
227 if (NOT GMX_BUILD_MDRUN_ONLY)
228 include(InstallLibInfo.cmake)
231 # Technically, the user could want to do this for an OpenCL build
232 # using the CUDA runtime, but currently there's no reason to want to
234 if (INSTALL_CUDART_LIB) #can be set manual by user
236 foreach(CUDA_LIB ${CUDA_LIBRARIES})
237 string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
238 if(IS_CUDART) #libcuda should not be installed
239 #install also name-links (linker uses those)
240 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
241 install(FILES ${CUDA_LIBS} DESTINATION
242 ${LIB_INSTALL_DIR} COMPONENT libraries)
246 message(WARNING "INSTALL_CUDART_LIB only makes sense when configuring for CUDA support")
251 set(OPENCL_KERNELS ${MDLIB_OPENCL_KERNELS})
253 install(FILES ${OPENCL_KERNELS} DESTINATION
254 ${OCL_INSTALL_DIR} COMPONENT libraries)
258 add_subdirectory(compat/tests)