+#
+# 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)
-add_subdirectory(legacyheaders)
+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(analysisdata)
add_subdirectory(commandline)
+add_subdirectory(fft)
add_subdirectory(linearalgebra)
+add_subdirectory(math)
+add_subdirectory(random)
add_subdirectory(onlinehelp)
add_subdirectory(options)
-add_subdirectory(selection)
-add_subdirectory(trajectoryanalysis)
+add_subdirectory(timing)
add_subdirectory(utility)
-
-file(GLOB LIBGROMACS_HEADERS *.h)
-install(FILES ${LIBGROMACS_HEADERS} DESTINATION ${INCL_INSTALL_DIR}/gromacs
- COMPONENT development)
+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} ${MDLIB_SOURCES})
-configure_file(${CMAKE_CURRENT_SOURCE_DIR}/version.h.cmakein ${CMAKE_CURRENT_BINARY_DIR}/version.h)
-install(FILES ${CMAKE_CURRENT_BINARY_DIR}/version.h
- DESTINATION ${INCL_INSTALL_DIR}/gromacs
- COMPONENT development)
+# 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})
-# Add target that generates gitversion.c every time make is run
-# if git version info is requested
+tmpi_get_source_list(THREAD_MPI_SOURCES ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/src)
+list(APPEND LIBGROMACS_SOURCES ${THREAD_MPI_SOURCES})
+
+file(GLOB LIBGROMACS_HEADERS *.h)
+configure_file(version.h.cmakein version.h)
+gmx_install_headers("" ${LIBGROMACS_HEADERS})
+gmx_install_headers("" ${CMAKE_CURRENT_BINARY_DIR}/version.h)
+
+# Add target that generates baseversion-gen.c every time make is run
+# if git version info is requested, or create it statically.
# This code is here instead of utility/CMakeLists.txt because CMake
# ignores set_source_file_properties from subdirectories.
+set(GENERATED_VERSION_FILE
+ ${CMAKE_CURRENT_BINARY_DIR}/utility/baseversion-gen.c)
+set(GENERATED_VERSION_FILE_SOURCE
+ ${CMAKE_CURRENT_SOURCE_DIR}/utility/baseversion-gen.c.cmakein)
if (GMX_GIT_VERSION_INFO)
- set(GENERATED_VERSION_FILE ${CMAKE_CURRENT_BINARY_DIR}/utility/gitversion.c)
- add_custom_target(gmx_version ALL
+ add_custom_target(gmx-version ALL
COMMAND ${CMAKE_COMMAND}
-D GIT_EXECUTABLE="${GIT_EXECUTABLE}"
- -D GIT_VERSION="${GIT_VERSION}"
-D PROJECT_VERSION="${PROJECT_VERSION}"
-D PROJECT_SOURCE_DIR="${PROJECT_SOURCE_DIR}"
- -D VERSION_C_CMAKEIN="${CMAKE_CURRENT_SOURCE_DIR}/utility/gitversion.c.cmakein"
- -D VERSION_C_OUT=${GENERATED_VERSION_FILE}
+ -D VERSION_CMAKEIN=${GENERATED_VERSION_FILE_SOURCE}
+ -D VERSION_OUT=${GENERATED_VERSION_FILE}
-P ${CMAKE_SOURCE_DIR}/cmake/gmxGenerateVersionInfo.cmake
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
- DEPENDS ${CMAKE_CURRENT_SOURCE_DIR}/utility/gitversion.c.cmakein
+ DEPENDS ${GENERATED_VERSION_FILE_SOURCE}
COMMENT "Generating git version information")
set_source_files_properties(${GENERATED_VERSION_FILE}
PROPERTIES GENERATED true)
- list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
+else()
+ set(GMX_PROJECT_VERSION_STR ${PROJECT_VERSION})
+ configure_file(${GENERATED_VERSION_FILE_SOURCE} ${GENERATED_VERSION_FILE})
endif()
+list(APPEND LIBGROMACS_SOURCES ${GENERATED_VERSION_FILE})
# apply gcc 4.4.x bug workaround
if(GMX_USE_GCC44_BUG_WORKAROUND)
add_library(libgromacs ${LIBGROMACS_SOURCES})
if (GMX_GIT_VERSION_INFO)
- add_dependencies(libgromacs gmx_version)
-endif ()
+ add_dependencies(libgromacs gmx-version)
+endif()
-target_link_libraries(libgromacs ${GMX_GPU_LIBRARIES}
- ${GMX_EXTRA_LIBRARIES} ${FFT_LIBRARIES} ${XML_LIBRARIES}
+# Recent versions of gcc and clang give warnings on scanner.cpp, which
+# is a generated source file. These are awkward to suppress inline, so
+# we do it in the compilation command (after testing that the compiler
+# supports the suppressions). Setting the properties only works after
+# the related target has been created, e.g. after when the file is
+# used with add_library().
+include(CheckCXXCompilerFlag)
+check_cxx_compiler_flag(-Wno-unused-parameter HAS_NO_UNUSED_PARAMETER)
+if (HAS_NO_UNUSED_PARAMETER)
+ set(_scanner_cpp_compiler_flags "${_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_GPU_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 ${SOVERSION}
+ SOVERSION ${LIBRARY_SOVERSION}
+ VERSION ${LIBRARY_VERSION}
COMPILE_FLAGS "${OpenMP_C_FLAGS}")
-install(TARGETS libgromacs DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries)
+# 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
+ LIBRARY DESTINATION ${LIB_INSTALL_DIR}
+ RUNTIME DESTINATION ${BIN_INSTALL_DIR}
+ ARCHIVE DESTINATION ${LIB_INSTALL_DIR}
+ COMPONENT libraries)
+endif()
-configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgromacs.pc.cmakein
- ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc @ONLY)
-install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc
- DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
- RENAME "libgromacs${GMX_LIBS_SUFFIX}.pc"
- COMPONENT development)
+if (NOT GMX_BUILD_MDRUN_ONLY)
+ configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgromacs.pc.cmakein
+ ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc @ONLY)
+ install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc
+ DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
+ RENAME "libgromacs${GMX_LIBS_SUFFIX}.pc"
+ COMPONENT development)
+endif()
if (INSTALL_CUDART_LIB) #can be set manual by user
- if (GMX_OPENMM OR GMX_GPU)
+ if (GMX_GPU)
foreach(CUDA_LIB ${CUDA_LIBRARIES})
string(REGEX MATCH "cudart" IS_CUDART ${CUDA_LIB})
if(IS_CUDART) #libcuda should not be installed
endif()
endforeach()
else()
- message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_OPENMM or GMX_GPU")
+ message(WARNING "INSTALL_CUDART_LIB only makes sense with GMX_GPU")
endif()
-endif ()
+endif()
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff