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
11 # as published by the Free Software Foundation; either version 2.1
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
21 # http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 # If you want to redistribute modifications to GROMACS, please
25 # consider that scientific software is very special. Version
26 # control is crucial - bugs must be traceable. We will be happy to
27 # consider code for inclusion in the official distribution, but
28 # derived work must not be called official GROMACS. Details are found
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_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(${TNG_IO_INCLUDE_DIRS})
76 if(NOT GMX_EXTERNAL_TNG)
77 include(${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 ${ZLIB_LIBRARIES})
84 include_directories(${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(gmxpreprocess)
95 add_subdirectory(listed-forces)
96 add_subdirectory(commandline)
98 add_subdirectory(linearalgebra)
99 add_subdirectory(math)
100 add_subdirectory(random)
101 add_subdirectory(onlinehelp)
102 add_subdirectory(options)
103 add_subdirectory(pbcutil)
104 add_subdirectory(timing)
105 add_subdirectory(topology)
106 add_subdirectory(utility)
107 add_subdirectory(fileio)
108 add_subdirectory(swap)
109 add_subdirectory(essentialdynamics)
110 add_subdirectory(pulling)
111 add_subdirectory(simd)
112 add_subdirectory(imd)
113 if (NOT GMX_BUILD_MDRUN_ONLY)
114 add_subdirectory(legacyheaders)
115 add_subdirectory(gmxana)
116 add_subdirectory(correlationfunctions)
117 add_subdirectory(statistics)
118 add_subdirectory(analysisdata)
119 add_subdirectory(selection)
120 add_subdirectory(trajectoryanalysis)
121 add_subdirectory(tools)
124 list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${MDLIB_SOURCES})
126 # This would be the standard way to include thread_mpi, but
127 # we want libgromacs to link the functions directly
129 # add_subdirectory(thread_mpi)
131 #target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB})
133 tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src)
134 list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES})
136 configure_file(version.h.cmakein version.h)
144 ${CMAKE_CURRENT_BINARY_DIR}/version.h
147 # This code is here instead of utility/CMakeLists.txt, because CMake
148 # custom commands and source file properties can only be set in the directory
149 # that contains the target that uses them.
150 # TODO: Generate a header instead that can be included from baseversion.c.
151 # That probably simplifies things somewhat.
152 set(GENERATED_VERSION_FILE utility/baseversion-gen.c)
153 gmx_configure_version_file(
154 utility/baseversion-gen.c.cmakein ${GENERATED_VERSION_FILE}
155 REMOTE_HASH SOURCE_FILE)
156 list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
158 # apply gcc 4.4.x bug workaround
159 if(GMX_USE_GCC44_BUG_WORKAROUND)
160 include(gmxGCC44O3BugWorkaround)
161 gmx_apply_gcc44_bug_workaround("listed-forces/bonded.cpp")
162 gmx_apply_gcc44_bug_workaround("mdlib/force.c")
163 gmx_apply_gcc44_bug_workaround("mdlib/constr.c")
167 cuda_add_library(libgromacs ${LIBGROMACS_SOURCES}
170 DEBUG -g -D_DEBUG_=1)
172 add_library(libgromacs ${LIBGROMACS_SOURCES})
175 # Recent versions of gcc and clang give warnings on scanner.cpp, which
176 # is a generated source file. These are awkward to suppress inline, so
177 # we do it in the compilation command (after testing that the compiler
178 # supports the suppressions). Setting the properties only works after
179 # the related target has been created, e.g. after when the file is
180 # used with add_library().
181 include(CheckCXXCompilerFlag)
182 check_cxx_compiler_flag(-Wno-unused-parameter HAS_NO_UNUSED_PARAMETER)
183 if (HAS_NO_UNUSED_PARAMETER)
184 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-unused-parameter")
186 check_cxx_compiler_flag(-Wno-deprecated-register HAS_NO_DEPRECATED_REGISTER)
187 if (HAS_NO_DEPRECATED_REGISTER)
188 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated-register")
190 check_cxx_compiler_flag(-Wno-deprecated HAS_NO_DEPRECATED)
191 if (HAS_NO_DEPRECATED)
192 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated")
195 set_source_files_properties(selection/scanner.cpp PROPERTIES COMPILE_FLAGS "${_scanner_cpp_compiler_flags}")
197 target_link_libraries(libgromacs
199 ${GMX_EXTRA_LIBRARIES}
201 ${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
203 ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS})
204 set_target_properties(libgromacs PROPERTIES
205 OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
206 SOVERSION ${LIBRARY_SOVERSION}
207 VERSION ${LIBRARY_VERSION}
208 COMPILE_FLAGS "${OpenMP_C_FLAGS}")
210 gmx_write_installed_header_list()
212 # Only install the library in mdrun-only mode if it is actually necessary
214 if (NOT GMX_BUILD_MDRUN_ONLY OR BUILD_SHARED_LIBS)
215 install(TARGETS libgromacs
217 LIBRARY DESTINATION ${LIB_INSTALL_DIR}
218 RUNTIME DESTINATION ${BIN_INSTALL_DIR}
219 ARCHIVE DESTINATION ${LIB_INSTALL_DIR}
223 if (NOT GMX_BUILD_MDRUN_ONLY)
224 include(InstallLibInfo.cmake)
227 if (INSTALL_CUDART_LIB) #can be set manual by user
229 foreach(CUDA_LIB ${CUDA_LIBRARIES})
230 string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
231 if(IS_CUDART) #libcuda should not be installed
232 #install also name-links (linker uses those)
233 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
234 install(FILES ${CUDA_LIBS} DESTINATION
235 ${LIB_INSTALL_DIR} COMPONENT libraries)
239 message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_GPU")