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)
48 add_subdirectory(gmxlib)
49 add_subdirectory(mdlib)
50 add_subdirectory(gmxpreprocess)
51 add_subdirectory(commandline)
53 add_subdirectory(linearalgebra)
54 add_subdirectory(math)
55 add_subdirectory(random)
56 add_subdirectory(onlinehelp)
57 add_subdirectory(options)
58 add_subdirectory(pbcutil)
59 add_subdirectory(timing)
60 add_subdirectory(topology)
61 add_subdirectory(utility)
62 add_subdirectory(fileio)
63 add_subdirectory(swap)
64 add_subdirectory(essentialdynamics)
65 add_subdirectory(pulling)
66 add_subdirectory(simd)
68 if (NOT GMX_BUILD_MDRUN_ONLY)
69 add_subdirectory(legacyheaders)
70 add_subdirectory(gmxana)
71 add_subdirectory(statistics)
72 add_subdirectory(analysisdata)
73 add_subdirectory(selection)
74 add_subdirectory(trajectoryanalysis)
75 add_subdirectory(tools)
78 list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${MDLIB_SOURCES})
80 # This would be the standard way to include thread_mpi, but
81 # we want libgromacs to link the functions directly
83 # add_subdirectory(thread_mpi)
85 #target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB})
87 tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src)
88 list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES})
90 file(GLOB LIBGROMACS_HEADERS *.h)
91 configure_file(version.h.cmakein version.h)
92 gmx_install_headers("" ${LIBGROMACS_HEADERS})
93 gmx_install_headers("" ${CMAKE_CURRENT_BINARY_DIR}/version.h)
95 # Add target that generates baseversion-gen.c every time make is run
96 # if git version info is requested, or create it statically.
97 # This code is here instead of utility/CMakeLists.txt because CMake
98 # ignores set_source_file_properties from subdirectories.
99 set(GENERATED_VERSION_FILE
100 ${CMAKE_CURRENT_BINARY_DIR}/utility/baseversion-gen.c)
101 set(GENERATED_VERSION_FILE_SOURCE
102 ${CMAKE_CURRENT_SOURCE_DIR}/utility/baseversion-gen.c.cmakein)
103 if (GMX_GIT_VERSION_INFO)
104 add_custom_target(gmx-version ALL
105 COMMAND ${CMAKE_COMMAND}
106 -D GIT_EXECUTABLE="${GIT_EXECUTABLE}"
107 -D PROJECT_VERSION="${PROJECT_VERSION}"
108 -D PROJECT_SOURCE_DIR="${PROJECT_SOURCE_DIR}"
109 -D VERSION_CMAKEIN=${GENERATED_VERSION_FILE_SOURCE}
110 -D VERSION_OUT=${GENERATED_VERSION_FILE}
111 -P ${CMAKE_SOURCE_DIR}/cmake/gmxGenerateVersionInfo.cmake
112 WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
113 DEPENDS ${GENERATED_VERSION_FILE_SOURCE}
114 COMMENT "Generating git version information")
115 set_source_files_properties(${GENERATED_VERSION_FILE}
116 PROPERTIES GENERATED true)
118 set(GMX_PROJECT_VERSION_STR ${PROJECT_VERSION})
119 configure_file(${GENERATED_VERSION_FILE_SOURCE} ${GENERATED_VERSION_FILE})
121 list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
123 # apply gcc 4.4.x bug workaround
124 if(GMX_USE_GCC44_BUG_WORKAROUND)
125 include(gmxGCC44O3BugWorkaround)
126 gmx_apply_gcc44_bug_workaround("gmxlib/bondfree.c")
127 gmx_apply_gcc44_bug_workaround("mdlib/force.c")
128 gmx_apply_gcc44_bug_workaround("mdlib/constr.c")
131 add_library(libgromacs ${LIBGROMACS_SOURCES})
132 if (GMX_GIT_VERSION_INFO)
133 add_dependencies(libgromacs gmx-version)
136 # Recent versions of gcc and clang give warnings on scanner.cpp, which
137 # is a generated source file. These are awkward to suppress inline, so
138 # we do it in the compilation command (after testing that the compiler
139 # supports the suppressions). Setting the properties only works after
140 # the related target has been created, e.g. after when the file is
141 # used with add_library().
142 include(CheckCXXCompilerFlag)
143 check_cxx_compiler_flag(-Wno-unused-parameter HAS_NO_UNUSED_PARAMETER)
144 if (HAS_NO_UNUSED_PARAMETER)
145 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-unused-parameter")
147 check_cxx_compiler_flag(-Wno-deprecated-register HAS_NO_DEPRECATED_REGISTER)
148 if (HAS_NO_DEPRECATED_REGISTER)
149 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated-register")
151 check_cxx_compiler_flag(-Wno-deprecated HAS_NO_DEPRECATED)
152 if (HAS_NO_DEPRECATED)
153 set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated")
156 set_source_files_properties(selection/scanner.cpp PROPERTIES COMPILE_FLAGS "${_scanner_cpp_compiler_flags}")
158 target_link_libraries(libgromacs
161 ${GMX_EXTRA_LIBRARIES}
163 ${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
165 ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS})
166 set_target_properties(libgromacs PROPERTIES
167 OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
168 SOVERSION ${LIBRARY_SOVERSION}
169 VERSION ${LIBRARY_VERSION}
170 COMPILE_FLAGS "${OpenMP_C_FLAGS}")
172 # Only install the library in mdrun-only mode if it is actually necessary
174 if (NOT GMX_BUILD_MDRUN_ONLY OR BUILD_SHARED_LIBS)
175 install(TARGETS libgromacs DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries)
178 if (NOT GMX_BUILD_MDRUN_ONLY)
179 configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgromacs.pc.cmakein
180 ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc @ONLY)
181 install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc
182 DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
183 RENAME "libgromacs${GMX_LIBS_SUFFIX}.pc"
184 COMPONENT development)
187 if (INSTALL_CUDART_LIB) #can be set manual by user
189 foreach(CUDA_LIB ${CUDA_LIBRARIES})
190 string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
191 if(IS_CUDART) #libcuda should not be installed
192 #install also name-links (linker uses those)
193 file(GLOB CUDA_LIBS ${CUDA_LIB}*)
194 install(FILES ${CUDA_LIBS} DESTINATION
195 ${LIB_INSTALL_DIR} COMPONENT libraries)
199 message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_GPU")