# # This file is part of the GROMACS molecular simulation package. # # Copyright (c) 2010,2011,2012,2013,2014, by the GROMACS development team, led by # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, # and including many others, as listed in the AUTHORS file in the # top-level source directory and at http://www.gromacs.org. # # GROMACS is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License # as published by the Free Software Foundation; either version 2.1 # of the License, or (at your option) any later version. # # GROMACS is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public # License along with GROMACS; if not, see # http://www.gnu.org/licenses, or write to the Free Software Foundation, # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # # If you want to redistribute modifications to GROMACS, please # consider that scientific software is very special. Version # control is crucial - bugs must be traceable. We will be happy to # consider code for inclusion in the official distribution, but # derived work must not be called official GROMACS. Details are found # in the README & COPYING files - if they are missing, get the # official version at http://www.gromacs.org. # # To help us fund GROMACS development, we humbly ask that you cite # the research papers on the package. Check out http://www.gromacs.org. set(LIBGROMACS_SOURCES) function (gmx_install_headers DESTINATION) if (NOT GMX_BUILD_MDRUN_ONLY) if (DESTINATION) set(DESTINATION ${INCL_INSTALL_DIR}/gromacs/${DESTINATION}) else() set(DESTINATION ${INCL_INSTALL_DIR}/gromacs) endif() install(FILES ${ARGN} DESTINATION ${DESTINATION} COMPONENT development) endif() endfunction () if(GMX_USE_TNG) option(GMX_EXTERNAL_TNG "Use external TNG instead of compiling the version shipped with GROMACS." OFF) # Detect TNG if GMX_EXTERNAL_TNG is explicitly ON if(GMX_EXTERNAL_TNG) find_package(TNG_IO 1.6.0) if(NOT TNG_IO_FOUND) message(FATAL_ERROR "TNG >= 1.6.0 not found. " "You can set GMX_EXTERNAL_TNG=OFF to compile TNG.") endif() include_directories(${TNG_IO_INCLUDE_DIRS}) endif() if(NOT GMX_EXTERNAL_TNG) include(${CMAKE_SOURCE_DIR}/src/external/tng_io/BuildTNG.cmake) tng_get_source_list(TNG_SOURCES TNG_IO_DEFINITIONS) list(APPEND LIBGROMACS_SOURCES ${TNG_SOURCES}) tng_set_source_properties(WITH_ZLIB ${HAVE_ZLIB}) if (HAVE_ZLIB) list(APPEND GMX_EXTRA_LIBRARIES ${ZLIB_LIBRARIES}) include_directories(${ZLIB_INCLUDE_DIRS}) endif() endif() else() # We still need to get tng/tng_io_fwd.h from somewhere! include_directories(BEFORE ${CMAKE_SOURCE_DIR}/src/external/tng_io/include) endif() add_subdirectory(gmxlib) add_subdirectory(mdlib) add_subdirectory(gmxpreprocess) add_subdirectory(bonded) add_subdirectory(commandline) add_subdirectory(fft) add_subdirectory(linearalgebra) add_subdirectory(math) add_subdirectory(random) add_subdirectory(onlinehelp) add_subdirectory(options) add_subdirectory(pbcutil) add_subdirectory(timing) add_subdirectory(topology) add_subdirectory(utility) add_subdirectory(fileio) add_subdirectory(swap) add_subdirectory(essentialdynamics) add_subdirectory(pulling) add_subdirectory(simd) add_subdirectory(imd) if (NOT GMX_BUILD_MDRUN_ONLY) add_subdirectory(legacyheaders) add_subdirectory(gmxana) add_subdirectory(statistics) add_subdirectory(analysisdata) add_subdirectory(selection) add_subdirectory(trajectoryanalysis) add_subdirectory(tools) endif() list(APPEND LIBGROMACS_SOURCES ${GMXLIB_SOURCES} ${MDLIB_SOURCES}) # This would be the standard way to include thread_mpi, but # we want libgromacs to link the functions directly #if(GMX_THREAD_MPI) # add_subdirectory(thread_mpi) #endif() #target_link_libraries(gmx ${GMX_EXTRA_LIBRARIES} ${THREAD_MPI_LIB}) tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src) list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES}) set(LIBGROMACS_HEADERS analysisdata.h commandline.h options.h selection.h trajectoryanalysis.h utility.h) configure_file(version.h.cmakein version.h) gmx_install_headers("" ${LIBGROMACS_HEADERS}) gmx_install_headers("" ${CMAKE_CURRENT_BINARY_DIR}/version.h) # This code is here instead of utility/CMakeLists.txt, because CMake # custom commands and source file properties can only be set in the directory # that contains the target that uses them. # TODO: Generate a header instead that can be included from baseversion.c. # That probably simplifies things somewhat. set(GENERATED_VERSION_FILE utility/baseversion-gen.c) gmx_configure_version_file( utility/baseversion-gen.c.cmakein ${GENERATED_VERSION_FILE} REMOTE_HASH SOURCE_FILE) list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE}) # apply gcc 4.4.x bug workaround if(GMX_USE_GCC44_BUG_WORKAROUND) include(gmxGCC44O3BugWorkaround) gmx_apply_gcc44_bug_workaround("bonded/bonded.cpp") gmx_apply_gcc44_bug_workaround("mdlib/force.c") gmx_apply_gcc44_bug_workaround("mdlib/constr.c") endif() if (GMX_GPU) cuda_add_library(libgromacs ${LIBGROMACS_SOURCES} OPTIONS RELWITHDEBINFO -g DEBUG -g -D_DEBUG_=1) else() add_library(libgromacs ${LIBGROMACS_SOURCES}) endif() # Recent versions of gcc and clang give warnings on scanner.cpp, which # is a generated source file. These are awkward to suppress inline, so # we do it in the compilation command (after testing that the compiler # supports the suppressions). Setting the properties only works after # the related target has been created, e.g. after when the file is # used with add_library(). include(CheckCXXCompilerFlag) check_cxx_compiler_flag(-Wno-unused-parameter HAS_NO_UNUSED_PARAMETER) if (HAS_NO_UNUSED_PARAMETER) set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-unused-parameter") endif() check_cxx_compiler_flag(-Wno-deprecated-register HAS_NO_DEPRECATED_REGISTER) if (HAS_NO_DEPRECATED_REGISTER) set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated-register") else() check_cxx_compiler_flag(-Wno-deprecated HAS_NO_DEPRECATED) if (HAS_NO_DEPRECATED) set(_scanner_cpp_compiler_flags "${_scanner_cpp_compiler_flags} -Wno-deprecated") endif() endif() set_source_files_properties(selection/scanner.cpp PROPERTIES COMPILE_FLAGS "${_scanner_cpp_compiler_flags}") target_link_libraries(libgromacs ${EXTRAE_LIBRARIES} ${GMX_EXTRA_LIBRARIES} ${TNG_IO_LIBRARIES} ${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES} ${XML_LIBRARIES} ${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS}) set_target_properties(libgromacs PROPERTIES OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}" SOVERSION ${LIBRARY_SOVERSION} VERSION ${LIBRARY_VERSION} COMPILE_FLAGS "${OpenMP_C_FLAGS}") # Only install the library in mdrun-only mode if it is actually necessary # for the binary if (NOT GMX_BUILD_MDRUN_ONLY OR BUILD_SHARED_LIBS) install(TARGETS libgromacs EXPORT libgromacs LIBRARY DESTINATION ${LIB_INSTALL_DIR} RUNTIME DESTINATION ${BIN_INSTALL_DIR} ARCHIVE DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries) endif() if (NOT GMX_BUILD_MDRUN_ONLY) include(InstallLibInfo.cmake) endif() if (INSTALL_CUDART_LIB) #can be set manual by user if (GMX_GPU) foreach(CUDA_LIB ${CUDA_LIBRARIES}) string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB}) if(IS_CUDART) #libcuda should not be installed #install also name-links (linker uses those) file(GLOB CUDA_LIBS ${CUDA_LIB}*) install(FILES ${CUDA_LIBS} DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries) endif() endforeach() else() message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_GPU") endif() endif()