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
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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 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(timing)
92 add_subdirectory(utility)
93 add_subdirectory(fileio)
94 add_subdirectory(swap)
95 add_subdirectory(essentialdynamics)
96 add_subdirectory(pulling)
97 add_subdirectory(simd)
99 if (NOT GMX_BUILD_MDRUN_ONLY)
100 add_subdirectory(legacyheaders)
101 add_subdirectory(gmxana)
102 add_subdirectory(statistics)
103 add_subdirectory(analysisdata)
104 add_subdirectory(selection)
105 add_subdirectory(trajectoryanalysis)
106 add_subdirectory(tools)
109 list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${MDLIB_SOURCES})
111 # This would be the standard way to include thread_mpi, but
112 # we want libgromacs to link the functions directly
114 # add_subdirectory(thread_mpi)
116 #target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB})
118 tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src)
119 list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES})
121 file(GLOB LIBGROMACS_HEADERS *.h)
122 configure_file(version.h.cmakein version.h)
123 gmx_install_headers("" ${LIBGROMACS_HEADERS})
124 gmx_install_headers("" ${CMAKE_CURRENT_BINARY_DIR}/version.h)
126 # Add target that generates baseversion-gen.c every time make is run
127 # if git version info is requested, or create it statically.
128 # This code is here instead of utility/CMakeLists.txt because CMake
129 # ignores set_source_file_properties from subdirectories.
130 set(GENERATED_VERSION_FILE
131 ${CMAKE_CURRENT_BINARY_DIR}/utility/baseversion-gen.c)
132 set(GENERATED_VERSION_FILE_SOURCE
133 ${CMAKE_CURRENT_SOURCE_DIR}/utility/baseversion-gen.c.cmakein)
134 if (GMX_GIT_VERSION_INFO)
135 add_custom_target(gmx-version ALL
136 COMMAND ${CMAKE_COMMAND}
137 -D GIT_EXECUTABLE="${GIT_EXECUTABLE}"
138 -D PROJECT_VERSION="${PROJECT_VERSION}"
139 -D PROJECT_SOURCE_DIR="${PROJECT_SOURCE_DIR}"
140 -D VERSION_CMAKEIN=${GENERATED_VERSION_FILE_SOURCE}
141 -D VERSION_OUT=${GENERATED_VERSION_FILE}
142 -P ${CMAKE_SOURCE_DIR}/cmake/gmxGenerateVersionInfo.cmake
143 WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
144 DEPENDS ${GENERATED_VERSION_FILE_SOURCE}
145 COMMENT "Generating git version information")
146 set_source_files_properties(${GENERATED_VERSION_FILE}
147 PROPERTIES GENERATED true)
149 set(GMX_PROJECT_VERSION_STR ${PROJECT_VERSION})
150 configure_file(${GENERATED_VERSION_FILE_SOURCE} ${GENERATED_VERSION_FILE})
152 list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
154 # apply gcc 4.4.x bug workaround
155 if(GMX_USE_GCC44_BUG_WORKAROUND)
156 include(gmxGCC44O3BugWorkaround)
157 gmx_apply_gcc44_bug_workaround("gmxlib/bondfree.c")
158 gmx_apply_gcc44_bug_workaround("mdlib/force.c")
159 gmx_apply_gcc44_bug_workaround("mdlib/constr.c")
162 add_library(libgromacs ${LIBGROMACS_SOURCES})
163 if (GMX_GIT_VERSION_INFO)
164 add_dependencies(libgromacs gmx-version)
167 # Recent versions of gcc and clang give warnings on scanner.cpp, which
168 # is a generated source file. These are awkward to suppress inline, so
169 # we do it in the compilation command (after testing that the compiler
170 # supports the suppressions). Setting the properties only works after
171 # the related target has been created, e.g. after when the file is
172 # used with add_library().
173 include(CheckCXXCompilerFlag)
174 check_cxx_compiler_flag(-Wno-unused-parameter HAS_NO_UNUSED_PARAMETER)
175 if (HAS_NO_UNUSED_PARAMETER)
176 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-unused-parameter")
178 check_cxx_compiler_flag(-Wno-deprecated-register HAS_NO_DEPRECATED_REGISTER)
179 if (HAS_NO_DEPRECATED_REGISTER)
180 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated-register")
182 check_cxx_compiler_flag(-Wno-deprecated HAS_NO_DEPRECATED)
183 if (HAS_NO_DEPRECATED)
184 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated")
187 set_source_files_properties(selection/scanner.cpp PROPERTIES COMPILE_FLAGS "${_scanner_cpp_compiler_flags}")
189 target_link_libraries(libgromacs
192 ${GMX_EXTRA_LIBRARIES}
194 ${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
196 ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS})
197 set_target_properties(libgromacs PROPERTIES
198 OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
199 SOVERSION ${LIBRARY_SOVERSION}
200 VERSION ${LIBRARY_VERSION}
201 COMPILE_FLAGS "${OpenMP_C_FLAGS}")
203 # Only install the library in mdrun-only mode if it is actually necessary
205 if (NOT GMX_BUILD_MDRUN_ONLY OR BUILD_SHARED_LIBS)
206 install(TARGETS libgromacs DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries)
209 if (NOT GMX_BUILD_MDRUN_ONLY)
210 configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgromacs.pc.cmakein
211 ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc @ONLY)
212 install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc
213 DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
214 RENAME "libgromacs${GMX_LIBS_SUFFIX}.pc"
215 COMPONENT development)
218 if (INSTALL_CUDART_LIB) #can be set manual by user
220 foreach(CUDA_LIB ${CUDA_LIBRARIES})
221 string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
222 if(IS_CUDART) #libcuda should not be installed
223 #install also name-links (linker uses those)
224 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
225 install(FILES ${CUDA_LIBS} DESTINATION
226 ${LIB_INSTALL_DIR} COMPONENT libraries)
230 message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_GPU")