2 # This file is part of the GROMACS molecular simulation package.
4 # Copyright (c) 2010,2011,2012,2013,2014,2015, 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
10 # modify it under the terms of the GNU Lesser General Public License
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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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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_INSTALLED_HEADERS)
39 function (gmx_install_headers)
40 if (NOT GMX_BUILD_MDRUN_ONLY)
41 file(RELATIVE_PATH _dest ${PROJECT_SOURCE_DIR}/src ${CMAKE_CURRENT_LIST_DIR})
43 DESTINATION "${INCL_INSTALL_DIR}/${_dest}"
44 COMPONENT development)
46 foreach (_file ${ARGN})
47 if (IS_ABSOLUTE "${_file}")
48 set_property(GLOBAL APPEND PROPERTY GMX_INSTALLED_HEADERS ${_file})
50 set_property(GLOBAL APPEND PROPERTY GMX_INSTALLED_HEADERS
51 ${CMAKE_CURRENT_LIST_DIR}/${_file})
56 function (gmx_write_installed_header_list)
57 get_property(_list GLOBAL PROPERTY GMX_INSTALLED_HEADERS)
58 string(REPLACE ";" "\n" _list "${_list}")
59 # TODO: Make this only update the file timestamp if the contents actually change.
60 file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/installed-headers.txt "${_list}")
64 option(GMX_EXTERNAL_TNG "Use external TNG instead of compiling the version shipped with GROMACS."
66 # Detect TNG if GMX_EXTERNAL_TNG is explicitly ON
68 find_package(TNG_IO 1.6.0)
71 "TNG >= 1.6.0 not found. "
72 "You can set GMX_EXTERNAL_TNG=OFF to compile TNG.")
74 include_directories(SYSTEM ${TNG_IO_INCLUDE_DIRS})
76 if(NOT GMX_EXTERNAL_TNG)
77 include(${CMAKE_SOURCE_DIR}/src/external/tng_io/BuildTNG.cmake)
78 tng_get_source_list(TNG_SOURCES TNG_IO_DEFINITIONS)
79 list(APPEND LIBGROMACS_SOURCES ${TNG_SOURCES})
80 tng_set_source_properties(WITH_ZLIB ${HAVE_ZLIB})
83 list(APPEND GMX_EXTRA_LIBRARIES ${ZLIB_LIBRARIES})
84 include_directories(SYSTEM ${ZLIB_INCLUDE_DIRS})
88 # We still need to get tng/tng_io_fwd.h from somewhere!
89 include_directories(BEFORE ${CMAKE_SOURCE_DIR}/src/external/tng_io/include)
92 add_subdirectory(gmxlib)
93 add_subdirectory(mdlib)
94 add_subdirectory(listed-forces)
95 add_subdirectory(commandline)
96 add_subdirectory(domdec)
97 add_subdirectory(ewald)
99 add_subdirectory(linearalgebra)
100 add_subdirectory(math)
101 add_subdirectory(mdrunutility)
102 add_subdirectory(mdtypes)
103 add_subdirectory(random)
104 add_subdirectory(onlinehelp)
105 add_subdirectory(options)
106 add_subdirectory(pbcutil)
107 add_subdirectory(tables)
108 add_subdirectory(timing)
109 add_subdirectory(topology)
110 add_subdirectory(utility)
111 add_subdirectory(fileio)
112 add_subdirectory(swap)
113 add_subdirectory(essentialdynamics)
114 add_subdirectory(pulling)
115 add_subdirectory(simd)
116 add_subdirectory(imd)
117 if (NOT GMX_BUILD_MDRUN_ONLY)
118 add_subdirectory(legacyheaders)
119 add_subdirectory(gmxana)
120 add_subdirectory(gmxpreprocess)
121 add_subdirectory(correlationfunctions)
122 add_subdirectory(statistics)
123 add_subdirectory(analysisdata)
124 add_subdirectory(selection)
125 add_subdirectory(trajectoryanalysis)
126 add_subdirectory(tools)
129 list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${MDLIB_SOURCES})
131 # This would be the standard way to include thread_mpi, but
132 # we want libgromacs to link the functions directly
134 # add_subdirectory(thread_mpi)
136 #target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB})
138 tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src)
139 list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES})
141 configure_file(version.h.cmakein version.h)
149 ${CMAKE_CURRENT_BINARY_DIR}/version.h
152 # This code is here instead of utility/CMakeLists.txt, because CMake
153 # custom commands and source file properties can only be set in the directory
154 # that contains the target that uses them.
155 # TODO: Generate a header instead that can be included from baseversion.c.
156 # That probably simplifies things somewhat.
157 set(GENERATED_VERSION_FILE utility/baseversion-gen.c)
158 gmx_configure_version_file(
159 utility/baseversion-gen.c.cmakein ${GENERATED_VERSION_FILE}
160 REMOTE_HASH SOURCE_FILE)
161 list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
163 if (GMX_GPU AND NOT GMX_USE_OPENCL)
164 cuda_add_library(libgromacs ${LIBGROMACS_SOURCES})
166 add_library(libgromacs ${LIBGROMACS_SOURCES})
169 # Recent versions of gcc and clang give warnings on scanner.cpp, which
170 # is a generated source file. These are awkward to suppress inline, so
171 # we do it in the compilation command (after testing that the compiler
172 # supports the suppressions). Setting the properties only works after
173 # the related target has been created, e.g. after when the file is
174 # used with add_library().
175 include(CheckCXXCompilerFlag)
176 check_cxx_compiler_flag(-Wno-unused-parameter HAS_NO_UNUSED_PARAMETER)
177 if (HAS_NO_UNUSED_PARAMETER)
178 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-unused-parameter")
180 check_cxx_compiler_flag(-Wno-deprecated-register HAS_NO_DEPRECATED_REGISTER)
181 if (HAS_NO_DEPRECATED_REGISTER)
182 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated-register")
184 check_cxx_compiler_flag(-Wno-deprecated HAS_NO_DEPRECATED)
185 if (HAS_NO_DEPRECATED)
186 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated")
189 set_source_files_properties(selection/scanner.cpp PROPERTIES COMPILE_FLAGS "${_scanner_cpp_compiler_flags}")
191 target_link_libraries(libgromacs
193 ${GMX_EXTRA_LIBRARIES}
195 ${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
197 ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS} ${OPENCL_LIBRARIES})
198 set_target_properties(libgromacs PROPERTIES
199 OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
200 SOVERSION ${LIBRARY_SOVERSION_MAJOR}
201 VERSION ${LIBRARY_VERSION}
202 COMPILE_FLAGS "${OpenMP_C_FLAGS}")
204 gmx_write_installed_header_list()
206 # Only install the library in mdrun-only mode if it is actually necessary
208 if (NOT GMX_BUILD_MDRUN_ONLY OR BUILD_SHARED_LIBS)
209 install(TARGETS libgromacs
211 LIBRARY DESTINATION ${LIB_INSTALL_DIR}
212 RUNTIME DESTINATION ${BIN_INSTALL_DIR}
213 ARCHIVE DESTINATION ${LIB_INSTALL_DIR}
217 if (NOT GMX_BUILD_MDRUN_ONLY)
218 include(InstallLibInfo.cmake)
221 if (INSTALL_CUDART_LIB) #can be set manual by user
222 if (GMX_GPU AND NOT GMX_USE_OPENCL)
223 foreach(CUDA_LIB ${CUDA_LIBRARIES})
224 string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
225 if(IS_CUDART) #libcuda should not be installed
226 #install also name-links (linker uses those)
227 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
228 install(FILES ${CUDA_LIBS} DESTINATION
229 ${LIB_INSTALL_DIR} COMPONENT libraries)
233 message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_GPU")
237 if(GMX_GPU AND GMX_USE_OPENCL)
238 set(OPENCL_KERNELS ${MDLIB_OPENCL_KERNELS})
240 install(FILES ${OPENCL_KERNELS} DESTINATION
241 ${OCL_INSTALL_DIR} COMPONENT libraries)