2 # This file is part of the GROMACS molecular simulation package.
4 # Copyright (c) 2010,2011,2012,2013,2014,2015,2016, 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
7 # top-level source directory and at http://www.gromacs.org.
9 # GROMACS is free software; you can redistribute it and/or
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14 # GROMACS is distributed in the hope that it will be useful,
15 # but WITHOUT ANY WARRANTY; without even the implied warranty of
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17 # Lesser General Public License for more details.
19 # You should have received a copy of the GNU Lesser General Public
20 # License along with GROMACS; if not, see
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29 # in the README & COPYING files - if they are missing, get the
30 # official version at http://www.gromacs.org.
32 # To help us fund GROMACS development, we humbly ask that you cite
33 # the research papers on the package. Check out http://www.gromacs.org.
35 set(LIBGROMACS_SOURCES)
37 set_property(GLOBAL PROPERTY GMX_LIBGROMACS_SOURCES)
38 set_property(GLOBAL PROPERTY GMX_INSTALLED_HEADERS)
40 function (_gmx_add_files_to_property PROPERTY)
41 foreach (_file ${ARGN})
42 if (IS_ABSOLUTE "${_file}")
43 set_property(GLOBAL APPEND PROPERTY ${PROPERTY} ${_file})
45 set_property(GLOBAL APPEND PROPERTY ${PROPERTY}
46 ${CMAKE_CURRENT_LIST_DIR}/${_file})
51 function (gmx_add_libgromacs_sources)
52 _gmx_add_files_to_property(GMX_LIBGROMACS_SOURCES ${ARGN})
55 function (gmx_install_headers)
56 if (NOT GMX_BUILD_MDRUN_ONLY)
57 file(RELATIVE_PATH _dest ${PROJECT_SOURCE_DIR}/src ${CMAKE_CURRENT_LIST_DIR})
59 DESTINATION "${INCL_INSTALL_DIR}/${_dest}"
60 COMPONENT development)
62 _gmx_add_files_to_property(GMX_INSTALLED_HEADERS ${ARGN})
65 function (gmx_write_installed_header_list)
66 get_property(_list GLOBAL PROPERTY GMX_INSTALLED_HEADERS)
67 string(REPLACE ";" "\n" _list "${_list}")
68 # TODO: Make this only update the file timestamp if the contents actually change.
69 file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/installed-headers.txt "${_list}")
72 add_subdirectory(gmxlib)
73 add_subdirectory(mdlib)
74 add_subdirectory(applied-forces)
75 add_subdirectory(listed-forces)
76 add_subdirectory(commandline)
77 add_subdirectory(domdec)
78 add_subdirectory(ewald)
80 add_subdirectory(gpu_utils)
81 add_subdirectory(hardware)
82 add_subdirectory(linearalgebra)
83 add_subdirectory(math)
84 add_subdirectory(mdrunutility)
85 add_subdirectory(mdtypes)
86 add_subdirectory(onlinehelp)
87 add_subdirectory(options)
88 add_subdirectory(pbcutil)
89 add_subdirectory(random)
90 add_subdirectory(tables)
91 add_subdirectory(timing)
92 add_subdirectory(topology)
93 add_subdirectory(trajectory)
94 add_subdirectory(utility)
95 add_subdirectory(fileio)
96 add_subdirectory(swap)
97 add_subdirectory(essentialdynamics)
98 add_subdirectory(pulling)
99 add_subdirectory(simd)
100 add_subdirectory(imd)
101 if (NOT GMX_BUILD_MDRUN_ONLY)
102 add_subdirectory(gmxana)
103 add_subdirectory(gmxpreprocess)
104 add_subdirectory(correlationfunctions)
105 add_subdirectory(statistics)
106 add_subdirectory(analysisdata)
107 add_subdirectory(selection)
108 add_subdirectory(trajectoryanalysis)
109 add_subdirectory(tools)
112 get_property(PROPERTY_SOURCES GLOBAL PROPERTY GMX_LIBGROMACS_SOURCES)
113 list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${MDLIB_SOURCES} ${PROPERTY_SOURCES})
115 # This would be the standard way to include thread_mpi, but
116 # we want libgromacs to link the functions directly
118 # add_subdirectory(thread_mpi)
120 #target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB})
122 tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src)
123 list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES})
125 get_lmfit_properties(LMFIT_SOURCES LMFIT_LIBRARIES_TO_LINK LMFIT_INCLUDE_DIRECTORY LMFIT_INCLUDE_DIR_ORDER)
126 include_directories(${LMFIT_INCLUDE_DIR_ORDER} SYSTEM "${LMFIT_INCLUDE_DIRECTORY}")
127 list(APPEND LIBGROMACS_SOURCES ${LMFIT_SOURCES})
129 configure_file(version.h.cmakein version.h)
138 ${CMAKE_CURRENT_BINARY_DIR}/version.h
141 # This code is here instead of utility/CMakeLists.txt, because CMake
142 # custom commands and source file properties can only be set in the directory
143 # that contains the target that uses them.
144 # TODO: Generate a header instead that can be included from baseversion.c.
145 # That probably simplifies things somewhat.
146 set(GENERATED_VERSION_FILE utility/baseversion-gen.c)
147 gmx_configure_version_file(
148 utility/baseversion-gen.c.cmakein ${GENERATED_VERSION_FILE}
149 REMOTE_HASH SOURCE_FILE)
150 list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
153 # Work around FindCUDA that prevents using target_link_libraries()
154 # with keywords otherwise...
155 set(CUDA_LIBRARIES PRIVATE ${CUDA_LIBRARIES})
156 cuda_add_library(libgromacs ${LIBGROMACS_SOURCES})
158 add_library(libgromacs ${LIBGROMACS_SOURCES})
161 # Recent versions of gcc and clang give warnings on scanner.cpp, which
162 # is a generated source file. These are awkward to suppress inline, so
163 # we do it in the compilation command (after testing that the compiler
164 # supports the suppressions).
165 include(CheckCXXCompilerFlag)
166 check_cxx_compiler_flag(-Wno-unused-parameter HAS_NO_UNUSED_PARAMETER)
167 if (HAS_NO_UNUSED_PARAMETER)
168 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-unused-parameter")
170 check_cxx_compiler_flag(-Wno-deprecated-register HAS_NO_DEPRECATED_REGISTER)
171 if (HAS_NO_DEPRECATED_REGISTER)
172 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated-register")
174 check_cxx_compiler_flag(-Wno-deprecated HAS_NO_DEPRECATED)
175 if (HAS_NO_DEPRECATED)
176 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated")
179 set_source_files_properties(selection/scanner.cpp PROPERTIES COMPILE_FLAGS "${_scanner_cpp_compiler_flags}")
181 gmx_setup_tng_for_libgromacs()
183 target_link_libraries(libgromacs PRIVATE
185 ${GMX_EXTRA_LIBRARIES}
186 ${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
187 ${LMFIT_LIBRARIES_TO_LINK}
188 ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS} ${OPENCL_LIBRARIES}
189 ${GMX_STDLIB_LIBRARIES})
190 set_target_properties(libgromacs PROPERTIES
191 OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
192 SOVERSION ${LIBRARY_SOVERSION_MAJOR}
193 VERSION ${LIBRARY_VERSION}
194 COMPILE_FLAGS "${OpenMP_C_FLAGS}")
196 gmx_write_installed_header_list()
198 # Only install the library in mdrun-only mode if it is actually necessary
200 if (NOT GMX_BUILD_MDRUN_ONLY OR BUILD_SHARED_LIBS)
201 install(TARGETS libgromacs
203 LIBRARY DESTINATION ${LIB_INSTALL_DIR}
204 RUNTIME DESTINATION ${BIN_INSTALL_DIR}
205 ARCHIVE DESTINATION ${LIB_INSTALL_DIR}
209 if (NOT GMX_BUILD_MDRUN_ONLY)
210 include(InstallLibInfo.cmake)
213 # Technically, the user could want to do this for an OpenCL build
214 # using the CUDA runtime, but currently there's no reason to want to
216 if (INSTALL_CUDART_LIB) #can be set manual by user
218 foreach(CUDA_LIB ${CUDA_LIBRARIES})
219 string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
220 if(IS_CUDART) #libcuda should not be installed
221 #install also name-links (linker uses those)
222 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
223 install(FILES ${CUDA_LIBS} DESTINATION
224 ${LIB_INSTALL_DIR} COMPONENT libraries)
228 message(WARNING "INSTALL_CUDART_LIB only makes sense when configuring for CUDA support")
233 set(OPENCL_KERNELS ${MDLIB_OPENCL_KERNELS})
235 install(FILES ${OPENCL_KERNELS} DESTINATION
236 ${OCL_INSTALL_DIR} COMPONENT libraries)