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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12 # of the License, or (at your option) any later version.
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 # TNG wants zlib if it is available
63 find_package(ZLIB QUIET)
65 gmx_test_zlib(HAVE_ZLIB)
67 include(${CMAKE_SOURCE_DIR}/src/external/tng_io/BuildTNG.cmake)
68 tng_get_source_list(TNG_SOURCES TNG_IO_DEFINITIONS)
69 list(APPEND LIBGROMACS_SOURCES ${TNG_SOURCES})
70 tng_set_source_properties(WITH_ZLIB ${HAVE_ZLIB})
73 list(APPEND GMX_EXTRA_LIBRARIES ${ZLIB_LIBRARIES})
77 # We still need to get tng/tng_io_fwd.h from somewhere!
78 include_directories(BEFORE ${CMAKE_SOURCE_DIR}/src/external/tng_io/include)
81 add_subdirectory(gmxlib)
82 add_subdirectory(mdlib)
83 add_subdirectory(gmxpreprocess)
84 add_subdirectory(commandline)
86 add_subdirectory(linearalgebra)
87 add_subdirectory(math)
88 add_subdirectory(random)
89 add_subdirectory(onlinehelp)
90 add_subdirectory(options)
91 add_subdirectory(pbcutil)
92 add_subdirectory(timing)
93 add_subdirectory(topology)
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(legacyheaders)
103 add_subdirectory(gmxana)
104 add_subdirectory(statistics)
105 add_subdirectory(analysisdata)
106 add_subdirectory(selection)
107 add_subdirectory(trajectoryanalysis)
108 add_subdirectory(tools)
111 list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${MDLIB_SOURCES})
113 # This would be the standard way to include thread_mpi, but
114 # we want libgromacs to link the functions directly
116 # add_subdirectory(thread_mpi)
118 #target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB})
120 tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src)
121 list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES})
123 set(LIBGROMACS_HEADERS
130 configure_file(version.h.cmakein version.h)
131 gmx_install_headers("" ${LIBGROMACS_HEADERS})
132 gmx_install_headers("" ${CMAKE_CURRENT_BINARY_DIR}/version.h)
134 # This code is here instead of utility/CMakeLists.txt, because CMake
135 # custom commands and source file properties can only be set in the directory
136 # that contains the target that uses them.
137 # TODO: Generate a header instead that can be included from baseversion.c.
138 # That probably simplifies things somewhat.
139 set(GENERATED_VERSION_FILE utility/baseversion-gen.c)
140 gmx_configure_version_file(
141 utility/baseversion-gen.c.cmakein ${GENERATED_VERSION_FILE}
142 REMOTE_HASH SOURCE_FILE)
143 list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
145 # apply gcc 4.4.x bug workaround
146 if(GMX_USE_GCC44_BUG_WORKAROUND)
147 include(gmxGCC44O3BugWorkaround)
148 gmx_apply_gcc44_bug_workaround("gmxlib/bondfree.c")
149 gmx_apply_gcc44_bug_workaround("mdlib/force.c")
150 gmx_apply_gcc44_bug_workaround("mdlib/constr.c")
154 cuda_add_library(libgromacs ${LIBGROMACS_SOURCES}
157 DEBUG -g -D_DEBUG_=1)
159 add_library(libgromacs ${LIBGROMACS_SOURCES})
162 # Recent versions of gcc and clang give warnings on scanner.cpp, which
163 # is a generated source file. These are awkward to suppress inline, so
164 # we do it in the compilation command (after testing that the compiler
165 # supports the suppressions). Setting the properties only works after
166 # the related target has been created, e.g. after when the file is
167 # used with add_library().
168 include(CheckCXXCompilerFlag)
169 check_cxx_compiler_flag(-Wno-unused-parameter HAS_NO_UNUSED_PARAMETER)
170 if (HAS_NO_UNUSED_PARAMETER)
171 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-unused-parameter")
173 check_cxx_compiler_flag(-Wno-deprecated-register HAS_NO_DEPRECATED_REGISTER)
174 if (HAS_NO_DEPRECATED_REGISTER)
175 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated-register")
177 check_cxx_compiler_flag(-Wno-deprecated HAS_NO_DEPRECATED)
178 if (HAS_NO_DEPRECATED)
179 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated")
182 set_source_files_properties(selection/scanner.cpp PROPERTIES COMPILE_FLAGS "${_scanner_cpp_compiler_flags}")
184 target_link_libraries(libgromacs
186 ${GMX_EXTRA_LIBRARIES}
188 ${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
190 ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS})
191 set_target_properties(libgromacs PROPERTIES
192 OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
193 SOVERSION ${LIBRARY_SOVERSION}
194 VERSION ${LIBRARY_VERSION}
195 COMPILE_FLAGS "${OpenMP_C_FLAGS}")
197 # Only install the library in mdrun-only mode if it is actually necessary
199 if (NOT GMX_BUILD_MDRUN_ONLY OR BUILD_SHARED_LIBS)
200 install(TARGETS libgromacs DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries)
203 if (NOT GMX_BUILD_MDRUN_ONLY)
204 configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgromacs.pc.cmakein
205 ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc @ONLY)
206 install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc
207 DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
208 RENAME "libgromacs${GMX_LIBS_SUFFIX}.pc"
209 COMPONENT development)
212 if (INSTALL_CUDART_LIB) #can be set manual by user
214 foreach(CUDA_LIB ${CUDA_LIBRARIES})
215 string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
216 if(IS_CUDART) #libcuda should not be installed
217 #install also name-links (linker uses those)
218 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
219 install(FILES ${CUDA_LIBS} DESTINATION
220 ${LIB_INSTALL_DIR} COMPONENT libraries)
224 message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_GPU")