2 # This file is part of the GROMACS molecular simulation package.
4 # Copyright (c) 2010,2011,2012,2013,2014, 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
16 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
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.
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33 # the research papers on the package. Check out http://www.gromacs.org.
35 set(LIBGROMACS_SOURCES)
37 function (gmx_install_headers DESTINATION)
38 if (NOT GMX_BUILD_MDRUN_ONLY)
40 set(DESTINATION ${INCL_INSTALL_DIR}/gromacs/${DESTINATION})
42 set(DESTINATION ${INCL_INSTALL_DIR}/gromacs)
44 install(FILES ${ARGN} DESTINATION ${DESTINATION} COMPONENT development)
49 option(GMX_EXTERNAL_TNG "Use external TNG instead of compiling the version shipped with GROMACS."
51 # Detect TNG if GMX_EXTERNAL_TNG is explicitly ON
53 find_package(TNG_IO 1.6.0)
56 "TNG >= 1.6.0 not found. "
57 "You can set GMX_EXTERNAL_TNG=OFF to compile TNG.")
59 include_directories(${TNG_IO_INCLUDE_DIRS})
61 if(NOT GMX_EXTERNAL_TNG)
62 include(${CMAKE_SOURCE_DIR}/src/external/tng_io/BuildTNG.cmake)
63 tng_get_source_list(TNG_SOURCES TNG_IO_DEFINITIONS)
64 list(APPEND LIBGROMACS_SOURCES ${TNG_SOURCES})
65 tng_set_source_properties(WITH_ZLIB ${HAVE_ZLIB})
68 list(APPEND GMX_EXTRA_LIBRARIES ${ZLIB_LIBRARIES})
69 include_directories(${ZLIB_INCLUDE_DIRS})
73 # We still need to get tng/tng_io_fwd.h from somewhere!
74 include_directories(BEFORE ${CMAKE_SOURCE_DIR}/src/external/tng_io/include)
77 add_subdirectory(gmxlib)
78 add_subdirectory(mdlib)
79 add_subdirectory(gmxpreprocess)
80 add_subdirectory(listed-forces)
81 add_subdirectory(commandline)
83 add_subdirectory(linearalgebra)
84 add_subdirectory(math)
85 add_subdirectory(random)
86 add_subdirectory(onlinehelp)
87 add_subdirectory(options)
88 add_subdirectory(pbcutil)
89 add_subdirectory(timing)
90 add_subdirectory(topology)
91 add_subdirectory(utility)
92 add_subdirectory(fileio)
93 add_subdirectory(swap)
94 add_subdirectory(essentialdynamics)
95 add_subdirectory(pulling)
96 add_subdirectory(simd)
98 if (NOT GMX_BUILD_MDRUN_ONLY)
99 add_subdirectory(legacyheaders)
100 add_subdirectory(gmxana)
101 add_subdirectory(statistics)
102 add_subdirectory(analysisdata)
103 add_subdirectory(selection)
104 add_subdirectory(trajectoryanalysis)
105 add_subdirectory(tools)
108 list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${MDLIB_SOURCES})
110 # This would be the standard way to include thread_mpi, but
111 # we want libgromacs to link the functions directly
113 # add_subdirectory(thread_mpi)
115 #target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB})
117 tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src)
118 list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES})
120 set(LIBGROMACS_HEADERS
127 configure_file(version.h.cmakein version.h)
128 gmx_install_headers("" ${LIBGROMACS_HEADERS})
129 gmx_install_headers("" ${CMAKE_CURRENT_BINARY_DIR}/version.h)
131 # This code is here instead of utility/CMakeLists.txt, because CMake
132 # custom commands and source file properties can only be set in the directory
133 # that contains the target that uses them.
134 # TODO: Generate a header instead that can be included from baseversion.c.
135 # That probably simplifies things somewhat.
136 set(GENERATED_VERSION_FILE utility/baseversion-gen.c)
137 gmx_configure_version_file(
138 utility/baseversion-gen.c.cmakein ${GENERATED_VERSION_FILE}
139 REMOTE_HASH SOURCE_FILE)
140 list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
142 # apply gcc 4.4.x bug workaround
143 if(GMX_USE_GCC44_BUG_WORKAROUND)
144 include(gmxGCC44O3BugWorkaround)
145 gmx_apply_gcc44_bug_workaround("listed-forces/bonded.cpp")
146 gmx_apply_gcc44_bug_workaround("mdlib/force.c")
147 gmx_apply_gcc44_bug_workaround("mdlib/constr.c")
151 cuda_add_library(libgromacs ${LIBGROMACS_SOURCES}
154 DEBUG -g -D_DEBUG_=1)
156 add_library(libgromacs ${LIBGROMACS_SOURCES})
159 # Recent versions of gcc and clang give warnings on scanner.cpp, which
160 # is a generated source file. These are awkward to suppress inline, so
161 # we do it in the compilation command (after testing that the compiler
162 # supports the suppressions). Setting the properties only works after
163 # the related target has been created, e.g. after when the file is
164 # used with add_library().
165 include(CheckCXXCompilerFlag)
166 check_cxx_compiler_flag(-Wno-unused-parameter HAS_NO_UNUSED_PARAMETER)
167 if (HAS_NO_UNUSED_PARAMETER)
168 set(_scanner_cpp_compiler_flags "${_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 target_link_libraries(libgromacs
183 ${GMX_EXTRA_LIBRARIES}
185 ${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
187 ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS})
188 set_target_properties(libgromacs PROPERTIES
189 OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
190 SOVERSION ${LIBRARY_SOVERSION}
191 VERSION ${LIBRARY_VERSION}
192 COMPILE_FLAGS "${OpenMP_C_FLAGS}")
194 # Only install the library in mdrun-only mode if it is actually necessary
196 if (NOT GMX_BUILD_MDRUN_ONLY OR BUILD_SHARED_LIBS)
197 install(TARGETS libgromacs
199 LIBRARY DESTINATION ${LIB_INSTALL_DIR}
200 RUNTIME DESTINATION ${BIN_INSTALL_DIR}
201 ARCHIVE DESTINATION ${LIB_INSTALL_DIR}
205 if (NOT GMX_BUILD_MDRUN_ONLY)
206 include(InstallLibInfo.cmake)
209 if (INSTALL_CUDART_LIB) #can be set manual by user
211 foreach(CUDA_LIB ${CUDA_LIBRARIES})
212 string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
213 if(IS_CUDART) #libcuda should not be installed
214 #install also name-links (linker uses those)
215 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
216 install(FILES ${CUDA_LIBS} DESTINATION
217 ${LIB_INSTALL_DIR} COMPONENT libraries)
221 message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_GPU")