# machine with no git.
#
# NOTE: when releasing the "-dev" suffix needs to be stripped off!
-set(PROJECT_VERSION "4.6-dev")
+set(PROJECT_VERSION "5.0-dev")
set(CUSTOM_VERSION_STRING ""
CACHE STRING "Custom version string (if empty, use hard-coded default)")
mark_as_advanced(CUSTOM_VERSION_STRING)
endif(NOT CMAKE_BUILD_TYPE)
enable_language(C)
+enable_language(CXX)
set(CPACK_PACKAGE_VERSION ${PROJECT_VERSION})
set(CPACK_PACKAGE_VENDOR "gromacs.org")
option(GMX_PREFER_STATIC_LIBS "When finding libraries prefer static system libraries (MT instead of MD)!" ON)
mark_as_advanced(GMX_PREFER_STATIC_LIBS)
SET(SHARED_LIBS_DEFAULT OFF) #is currently not working on Windows
+ # This makes windows.h not declare min/max as macros that would break
+ # C++ code using std::min/std::max.
+ add_definitions(-DNOMINMAX)
IF (GMX_PREFER_STATIC_LIBS)
#Only setting Debug and Release flags. Others configurations current not used.
# Basic system tests (standard libraries, headers, functions, types) #
########################################################################
include(CheckIncludeFiles)
-check_include_files(string.h HAVE_STRING_H)
-check_include_files(math.h HAVE_MATH_H)
-check_include_files(limits.h HAVE_LIMITS_H)
-check_include_files(memory.h HAVE_MEMORY_H)
check_include_files(unistd.h HAVE_UNISTD_H)
-check_include_files(direct.h HAVE_DIRECT_H)
check_include_files(pwd.h HAVE_PWD_H)
-check_include_files(stdint.h HAVE_STDINT_H)
-check_include_files(stdlib.h HAVE_STDLIB_H)
check_include_files(pthread.h HAVE_PTHREAD_H)
check_include_files(dirent.h HAVE_DIRENT_H)
-check_include_files(inttypes.h HAVE_INTTYPES_H)
check_include_files(regex.h HAVE_REGEX_H)
check_include_files(sys/types.h HAVE_SYS_TYPES_H)
-check_include_files(sys/stat.h HAVE_SYS_STAT_H)
check_include_files(sys/time.h HAVE_SYS_TIME_H)
-check_include_files(rpc/rpc.h HAVE_RPC_RPC_H)
-check_include_files("rpc/rpc.h;rpc/xdr.h" HAVE_RPC_XDR_H)
-# SSE support
-check_include_files(xmmintrin.h HAVE_XMMINTRIN_H)
-check_include_files(emmintrin.h HAVE_EMMINTRIN_H)
-check_include_files(pmmintrin.h HAVE_PMMINTRIN_H)
-check_include_files(smmintrin.h HAVE_SMMINTRIN_H)
check_include_files(io.h HAVE_IO_H)
include(CheckFunctionExists)
-check_function_exists(strcasecmp HAVE_STRCASECMP)
check_function_exists(strdup HAVE_STRDUP)
-check_function_exists(vprintf HAVE_VPRINTF)
-check_function_exists(memcmp HAVE_MEMCMP)
check_function_exists(posix_memalign HAVE_POSIX_MEMALIGN)
check_function_exists(memalign HAVE_MEMALIGN)
check_function_exists(_aligned_malloc HAVE__ALIGNED_MALLOC)
check_function_exists(gettimeofday HAVE_GETTIMEOFDAY)
-check_function_exists(isnan HAVE_ISNAN)
-check_function_exists(_isnan HAVE__ISNAN)
check_function_exists(fsync HAVE_FSYNC)
check_function_exists(_fileno HAVE__FILENO)
check_function_exists(fileno HAVE_FILENO)
include(CheckTypeSize)
-check_type_size("bool" SIZEOF_BOOL) # will also set HAVE_BOOL
check_type_size("int" SIZEOF_INT)
check_type_size("long int" SIZEOF_LONG_INT)
check_type_size("long long int" SIZEOF_LONG_LONG_INT)
set(GMX_64_BIT FALSE)
endif (CMAKE_C_SIZEOF_DATA_PTR EQUAL 8)
-# Check for some basic types that we *need*, so set these to int if they are not present
-check_type_size(uid_t uid_t)
-if(NOT uid_t)
- set(uid_t int)
-else(NOT uid_t)
- set(uid_t 0)
-endif(NOT uid_t)
-
-check_type_size(gid_t gid_t)
-if(NOT gid_t)
- set(gid_t 1)
-else(NOT gid_t)
- set(gid_t 0)
-endif(NOT gid_t)
-
-check_type_size(size_t size_t)
-if(NOT size_t)
- set(size_t int)
-else(NOT size_t)
- set(size_t 0)
-endif(NOT size_t)
-
-check_type_size(off_t off_t)
-if(NOT off_t)
- set(off_t int)
-else(NOT off_t)
- set(off_t 0)
-endif(NOT off_t)
-
include(TestBigEndian)
test_big_endian(GMX_INTEGER_BIG_ENDIAN)
include_directories(${LIBXML2_INCLUDE_DIR})
set(PKG_XML libxml-2.0)
set(XML_LIBRARIES ${LIBXML2_LIBRARIES})
- set(HAVE_LIBXML2 1)
endif(LIBXML2_FOUND)
endif(GMX_XML)
if(GMX_THREAD_MPI)
set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_THREAD_MPI")
include(ThreadMPI)
+ tmpi_make_cxx_lib()
set(THREAD_MPI_LIB thread_mpi)
set(GMX_MPI 1)
string(TOUPPER ${GMX_FFT_LIBRARY} ${GMX_FFT_LIBRARY})
set(USE_VERSION_H OFF)
endif()
+option(GMX_INTERNAL_BOOST "Use minimal internal version of boost" OFF)
+if ( NOT GMX_INTERNAL_BOOST )
+ find_package( Boost 1.36.0 )
+else ( NOT GMX_INTERNAL_BOOST )
+ set (Boost_FOUND FALSE)
+endif( NOT GMX_INTERNAL_BOOST )
+
+if(Boost_FOUND)
+ include_directories(${Boost_INCLUDE_DIRS})
+else()
+ message("Boost >= 1.36 not found. Using minimal internal version. Not recommended if GROMACS is used as library!")
+ include_directories(${CMAKE_SOURCE_DIR}/src/external/boost)
+ add_definitions( -DBOOST_NO_TYPEID ) #TYPEID not supported for minimal internal version (would add significant more code)
+ # TODO: Propagate the above settings to the installed CMakeFiles.txt template
+ # (from share/template/)
+ # TODO: Reorder stuff such that INCL_INSTALL_DIR could be used here
+ set(PKG_CFLAGS "${PKG_CFLAGS} -DBOOST_NO_TYPEID -I${CMAKE_INSTALL_PREFIX}/include/gromacs/external/boost")
+ install(DIRECTORY ${CMAKE_SOURCE_DIR}/src/external/boost/boost
+ DESTINATION ${CMAKE_INSTALL_PREFIX}/include/gromacs/external/boost
+ COMPONENT development)
+endif()
+
+if (LIBXML2_FOUND)
+ option(GMX_BUILD_UNITTESTS "Build unit tests with BUILD_TESTING (uses Google C++ Testing and Mocking Frameworks, requires libxml2)" ON)
+else (LIBXML2_FOUND)
+ set(GMX_BUILD_UNITTESTS OFF)
+endif (LIBXML2_FOUND)
+mark_as_advanced(GMX_BUILD_UNITTESTS)
+set(MEMORYCHECK_SUPPRESSIONS_FILE ${CMAKE_SOURCE_DIR}/cmake/legacy_and_external.supp)
+
+find_package(Doxygen)
+
########################################################################
# Generate development version info for cache
########################################################################
########################################################################
add_definitions( -DHAVE_CONFIG_H )
+include_directories(${CMAKE_SOURCE_DIR}/src)
+# Required for config.h, maybe should only be set in src/CMakeLists.txt
include_directories(${CMAKE_BINARY_DIR}/src)
-include_directories(${CMAKE_BINARY_DIR}/include)
-include_directories(${CMAKE_SOURCE_DIR}/include)
+# Required for now to make old code compile
+include_directories(${CMAKE_SOURCE_DIR}/src/gromacs/legacyheaders)
include(gmxCheckBuildUserTime)
gmx_check_build_user_time(BUILD_TIME BUILD_USER BUILD_MACHINE)
include(gmxTestInline)
gmx_test_inline(INLINE_KEYWORD)
-include(gmxTestRestrict)
-gmx_test_inline(RESTRICT_KEYWORD)
-
include(gmxTestPipes)
gmx_test_pipes(HAVE_PIPES)
gmx_test__isfinite(HAVE__ISFINITE)
gmx_test__finite(HAVE__FINITE)
-include(gmxTestInlineASM)
-gmx_test_inline_asm_gcc_x86(GMX_X86_GCC_INLINE_ASM)
-gmx_test_inline_asm_msvc_x86(GMX_X86_MSVC_INLINE_ASM)
+include(gmxTestCXX11)
+gmx_test_cxx11(GMX_CXX11 CXX11_FLAG)
+set(GROMACS_CXX_FLAGS "${CXX11_FLAG} ${GROMACS_CXX_FLAGS}")
# turn on SSE if supported with reasonable defaults.
if (${GMX_ACCELERATION} STREQUAL "auto" AND NOT GMX_OPENMM)
endif()
endif()
-# if(HAVE_PMMINTRIN_H)
-# set(GMX_SSE3 1)
-# endif(HAVE_PMMINTRIN_H)
-# if(HAVE_SMMINTRIN_H)
-# set(GMX_SSE4_1 1)
-# endif(HAVE_SMMINTRIN_H)
-
elseif(${GMX_ACCELERATION} STREQUAL "FORTRAN")
set(GMX_FORTRAN 1)
#these are switch on by default sometimes
if(isupper)
set(F77_FUNCDEF "${prefix} NAME ${suffix}")
- set(F77_FUNCDEF_ "${prefix} NAME ${extrasuffix}")
+ # The underscored versions are not currently used.
+ #set(F77_FUNCDEF_ "${prefix} NAME ${extrasuffix}")
else(isupper)
set(F77_FUNCDEF "${prefix} name ${suffix}")
- set(F77_FUNCDEF_ "${prefix} name ${extrasuffix}")
+ #set(F77_FUNCDEF_ "${prefix} name ${extrasuffix}")
endif(isupper)
else(GMX_FORTRAN OR GMX_POWER6)
set(F77_FUNCDEF "name ## _")
- set(F77_FUNCDEF_ "name ## _")
+ #set(F77_FUNCDEF_ "name ## _")
endif(GMX_FORTRAN OR GMX_POWER6)
# Process QM/MM Settings
endif()
add_subdirectory(share)
-add_subdirectory(include)
add_subdirectory(man)
add_subdirectory(src)
add_subdirectory(scripts)
"${CMAKE_CURRENT_BINARY_DIR}/cmake/cmake_uninstall.cmake")
###########################
+########################################################################
+# Doxygen configuration
+########################################################################
+if (DOXYGEN_FOUND)
+ FILE(GLOB NB_KERNEL_DIRS src/gromacs/gmxlib/nonbonded/nb_kernel_*/)
+ LIST(REMOVE_ITEM NB_KERNEL_DIRS
+ ${CMAKE_SOURCE_DIR}/src/gromacs/gmxlib/nonbonded/nb_kernel_c)
+ FOREACH(NB_KERNEL_DIR ${NB_KERNEL_DIRS})
+ SET(NB_KERNEL_DIRS_TO_IGNORE_IN_DOXYGEN
+ "${NB_KERNEL_DIRS_TO_IGNORE_IN_DOXYGEN} \\\n ${NB_KERNEL_DIR}")
+ ENDFOREACH(NB_KERNEL_DIR)
+ CONFIGURE_FILE(${CMAKE_SOURCE_DIR}/Doxyfile.cmakein
+ ${CMAKE_BINARY_DIR}/Doxyfile)
+ CONFIGURE_FILE(${CMAKE_SOURCE_DIR}/Doxyfile-lib.cmakein
+ ${CMAKE_BINARY_DIR}/Doxyfile-lib)
+ CONFIGURE_FILE(${CMAKE_SOURCE_DIR}/Doxyfile-user.cmakein
+ ${CMAKE_BINARY_DIR}/Doxyfile-user)
+ add_custom_target(doc
+ ${DOXYGEN_EXECUTABLE} ${CMAKE_CURRENT_BINARY_DIR}/Doxyfile
+ WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
+ COMMENT "Generating full documentation with Doxygen" VERBATIM)
+ add_custom_target(doc-user
+ ${DOXYGEN_EXECUTABLE} ${CMAKE_CURRENT_BINARY_DIR}/Doxyfile-user
+ WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
+ COMMENT "Generating user documentation with Doxygen" VERBATIM)
+ add_custom_target(doc-lib
+ ${DOXYGEN_EXECUTABLE} ${CMAKE_CURRENT_BINARY_DIR}/Doxyfile-lib
+ WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
+ COMMENT "Generating libary documentation with Doxygen" VERBATIM)
+endif (DOXYGEN_FOUND)
+
########################################################################
# Tests #
include(CTest)
mark_as_advanced(BUILD_TESTING)
IF(BUILD_TESTING)
- enable_testing()
- add_subdirectory(tests)
+ enable_testing()
+ add_subdirectory(tests)
ENDIF()
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff