#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2009,2010,2011,2012,2013,2014, by the GROMACS development team, led by
+# Copyright (c) 2009,2010,2011,2012,2013,2014,2015, 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.
set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin)
-# PROJECT_VERSION should have the following structure:
-# VERSION-dev[-SUFFIX] where the VERSION should have the for: vMajor.vMinor.vPatch
-#
-# The "-dev" suffix is important to keep because it makes possible to distinguish
-# between a build from official release and a build from git release branch on a
-# machine with no git.
-#
-# NOTE: when releasing the "-dev" suffix needs to be stripped off!
-# REGRESSIONTEST_VERSION and REGRESSIONTEST_BRANCH should always be
-# defined.
-set(PROJECT_VERSION "5.0.2-dev")
-# If this is a released tarball, "-dev" will not be present in
-# PROJECT_VERSION, and REGRESSIONTEST_VERSION specifies the version
-# number of the regressiontest tarball against which the code tarball
-# can be tested. This will be the version of the last patch release.
-set(REGRESSIONTEST_VERSION "5.0.2-dev")
-# The MD5 checksum of the regressiontest tarball. Only used if "-dev"
-# is not present in the PROJECT_VERSION
-set(REGRESSIONTEST_MD5SUM "8c048dd4636a95a4c22870b249106bc5")
-# If this is not a released tarball, "-dev" will be present in
-# PROJECT_VERSION, and REGRESSIONTEST_BRANCH specifies the name of the
-# gerrit.gromacs.org branch whose HEAD can test this code, *if* this
-# code contains all recent fixes from the corresponding code branch.
-set(REGRESSIONTEST_BRANCH "refs/heads/release-5-0")
-
-set(CUSTOM_VERSION_STRING ""
- CACHE STRING "Custom version string (if empty, use hard-coded default)")
-mark_as_advanced(CUSTOM_VERSION_STRING)
-if (CUSTOM_VERSION_STRING)
- set(PROJECT_VERSION ${CUSTOM_VERSION_STRING})
-endif()
-set(LIBRARY_SOVERSION 0)
-set(LIBRARY_VERSION ${LIBRARY_SOVERSION}.0.0)
-# It is a bit irritating, but this has to be set separately for now!
-SET(CPACK_PACKAGE_VERSION_MAJOR "5")
-SET(CPACK_PACKAGE_VERSION_MINOR "0")
-#SET(CPACK_PACKAGE_VERSION_PATCH "0")
-
-# The numerical gromacs version. It is 40600 for 4.6.0.
-# The #define GMX_VERSION in gromacs/version.h is set to this value.
-math(EXPR NUM_VERSION
- "${CPACK_PACKAGE_VERSION_MAJOR}*10000 + ${CPACK_PACKAGE_VERSION_MINOR}*100")
-if(CPACK_PACKAGE_VERSION_PATCH)
- math(EXPR NUM_VERSION
- "${NUM_VERSION} + ${CPACK_PACKAGE_VERSION_PATCH}")
-endif()
-
-# The API version tracks the numerical Gromacs version (for now).
-# It is potentially different from the Gromacs version in the future, if
-# the programs/libraries diverge from the presumably more stable API.
-# The #define GMX_API_VERSION in version.h is set to this value to
-# provide backward compatibility of software written against the Gromacs API.
-set(API_VERSION ${NUM_VERSION})
+# Set up common version variables, as well as general information about
+# the build tree (whether the build is from a source package or from a git
+# repository). Also declares a few functions that will be used for generating
+# version info files later.
+include(gmxVersionInfo)
if(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT AND UNIX)
set(CMAKE_INSTALL_PREFIX "/usr/local/gromacs" CACHE STRING "Installation prefix (installation will need write permissions here)" FORCE)
endif()
+if("${CMAKE_INSTALL_PREFIX}" STREQUAL "${CMAKE_BINARY_DIR}")
+ message(FATAL_ERROR "GROMACS cannot be installed into the build tree, choose a different location for CMAKE_INSTALL_PREFIX")
+endif()
include(gmxBuildTypeReference)
+include(gmxBuildTypeProfile)
include(gmxBuildTypeTSAN)
include(gmxBuildTypeASAN)
+include(gmxBuildTypeMSAN)
include(gmxBuildTypeReleaseWithAssert)
if(NOT CMAKE_BUILD_TYPE)
- set(CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: Debug Release RelWithDebInfo MinSizeRel Reference RelWithAssert." FORCE)
+ set(CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: Debug Release RelWithDebInfo MinSizeRel Reference RelWithAssert Profile." FORCE)
# There's no need to offer a user the choice of ThreadSanitizer
# Set the possible values of build type for cmake-gui
set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "Debug" "Release"
- "MinSizeRel" "RelWithDebInfo" "Reference" "RelWithAssert")
+ "MinSizeRel" "RelWithDebInfo" "Reference" "RelWithAssert" "Profile")
endif()
if(CMAKE_CONFIGURATION_TYPES)
# Add appropriate GROMACS-specific build types for the Visual
"List of configuration types"
FORCE)
endif()
-set(build_types_with_explicit_flags RELEASE DEBUG RELWITHDEBINFO RELWITHASSERT MINSIZEREL)
+set(build_types_with_explicit_flags RELEASE DEBUG RELWITHDEBINFO RELWITHASSERT MINSIZEREL PROFILE)
-enable_language(C)
-enable_language(CXX)
set_property(GLOBAL PROPERTY FIND_LIBRARY_USE_LIB64_PATHS ON)
-set(CPACK_PACKAGE_NAME "gromacs")
-set(CPACK_PACKAGE_VERSION ${PROJECT_VERSION})
-set(CPACK_SOURCE_PACKAGE_FILE_NAME "${CPACK_PACKAGE_NAME}-${CPACK_PACKAGE_VERSION}")
-set(CPACK_PACKAGE_VENDOR "gromacs.org")
-set(CPACK_PACKAGE_DESCRIPTION_SUMMARY "Gromacs - a toolkit for high-performance molecular simulation")
-set(CPACK_RESOURCE_FILE_WELCOME "${CMAKE_SOURCE_DIR}/admin/InstallWelcome.txt")
-# Its GPL/LGPL, so they do not have to agree to a license for mere usage, but some installers require this...
-set(CPACK_RESOURCE_FILE_LICENSE "${CMAKE_SOURCE_DIR}/COPYING")
-set(CPACK_RESOURCE_FILE_README "${CMAKE_SOURCE_DIR}/admin/InstallInfo.txt")
-set(CPACK_SOURCE_IGNORE_FILES "\\\\.isreposource$;\\\\.git/;\\\\.gitignore$;\\\\.gitattributes;")
-set(CPACK_PROJECT_CONFIG_FILE "${CMAKE_SOURCE_DIR}/CPackInit.cmake")
-# CPack source archives include only the directories we list here.
-# This variable is a list of pairs of names of source and destination
-# directories. Most of these are used for content GROMACS generates as
-# part of the configuration or build.
-set(CPACK_SOURCE_INSTALLED_DIRECTORIES "${CMAKE_SOURCE_DIR};/;${CMAKE_BINARY_DIR}/src/programs/completion;src/programs/completion;${CMAKE_BINARY_DIR}/docs/man/man1;docs/man/man1;${CMAKE_BINARY_DIR}/docs/man/man7;docs/man/man7;${CMAKE_BINARY_DIR}/docs/old-html/final;docs/old-html/final;${CMAKE_BINARY_DIR}/docs/install-guide/final;/")
-set(CPACK_PACKAGE_CONTACT "gmx-users@gromacs.org")
-set(CPACK_GMX_BUILD_HELP "${GMX_BUILD_HELP}") #Works even though GMX_BUILD_HELP is defined later because it is off by default.
-
-#must come after all cpack settings!
-include(CPack)
-
# Set a default valgrind suppression file.
# This unfortunately needs to duplicate information from CTest to work as
# expected...
"File that contains suppressions for the memory checker")
include(CTest)
-set(SOURCE_IS_GIT_REPOSITORY OFF)
-set(SOURCE_IS_SOURCE_DISTRIBUTION OFF)
-if(EXISTS "${CMAKE_SOURCE_DIR}/.git")
- set(SOURCE_IS_GIT_REPOSITORY ON)
-endif()
-if(NOT EXISTS "${CMAKE_SOURCE_DIR}/admin/.isreposource")
- set(SOURCE_IS_SOURCE_DISTRIBUTION ON)
-endif()
+include(gmxCPackUtilities)
+gmx_cpack_init()
+
+# Variables that accumulate stuff influencing the installed headers
+set(INSTALLED_HEADER_INCLUDE_DIRS "")
+set(INSTALLED_HEADER_DEFINITIONS "")
########################################################################
# Check and warn if cache generated on a different host is being reused
if(GMX_BUILD_HOSTNAME AND NOT "${GMX_BUILD_HOSTNAME}" STREQUAL "${TMP_HOSTNAME}")
message(WARNING "
The CMake cache, probably generated on a different host (${GMX_BUILD_HOSTNAME}),
- is being reused! This could lead to inconsitencies; therefore, it is
+ is being reused! This could lead to inconsistencies; therefore, it is
recommended to regenerate the cache!")
endif()
set(GMX_BUILD_HOSTNAME "${TMP_HOSTNAME}" CACHE INTERNAL
option(GMX_FAHCORE "Build a library with mdrun functionality" OFF)
mark_as_advanced(GMX_FAHCORE)
-option(GMX_COOL_QUOTES "Enable Gromacs cool quotes" ON)
+option(GMX_COOL_QUOTES "Enable GROMACS cool quotes" ON)
mark_as_advanced(GMX_COOL_QUOTES)
gmx_add_cache_dependency(GMX_COOL_QUOTES BOOL "NOT GMX_FAHCORE" OFF)
+option(GMX_USE_OPENCL "Enable OpenCL acceleration" OFF)
+
# Decide on GPU settings based on user-settings and GPU/CUDA detection.
# We support CUDA >=v4.0 on *nix, but <= v4.1 doesn't work with MSVC
if(MSVC)
set(REQUIRED_CUDA_VERSION 4.0)
endif()
set(REQUIRED_CUDA_COMPUTE_CAPABILITY 2.0)
-include(gmxManageGPU)
-if(GMX_CPU_ACCELERATION)
- # Stay compatible with old Jenkins command line options for specific SIMD acceleration
- set(GMX_SIMD "${GMX_CPU_ACCELERATION}" CACHE STRING "SIMD instruction set level and compiler optimization" FORCE)
- message("You set GMX_CPU_ACCELERATION, which is deprecated, and will be removed in a later version of GROMACS. It is replaced by GMX_SIMD. For now, copying the value from GMX_CPU_ACCELERATION to GMX_SIMD.")
- # TODO remove all references to GMX_CPU_ACCELERATION in master branch
-endif()
+# OpenCL required version: 1.1 or newer
+set(REQUIRED_OPENCL_MIN_VERSION 1.1)
-if(NOT GMX_TARGET_MIC)
- include(gmxDetectSimd)
- gmx_detect_simd(GMX_SUGGESTED_SIMD)
+if(NOT GMX_USE_OPENCL)
+ # CUDA detection is done only if GMX_USE_OPENCL is OFF
+ include(gmxManageGPU)
else()
- set(GMX_SUGGESTED_SIMD "None")
+ #Now the OpenCL path
+ if(GMX_GPU)
+ include(gmxManageOpenCL)
+ else(GMX_GPU)
+ message(FATAL_ERROR "OpenCL requested but GPU option is not enabled (try -DGMX_GPU=on) ")
+ endif(GMX_GPU)
endif()
+include(gmxDetectSimd)
+gmx_detect_simd(GMX_SUGGESTED_SIMD)
+
gmx_option_multichoice(
GMX_SIMD
"SIMD instruction set for CPU kernels and compiler optimization"
"${GMX_SUGGESTED_SIMD}"
- None SSE2 SSE4.1 AVX_128_FMA AVX_256 AVX2_256 IBM_QPX Sparc64_HPC_ACE Reference)
+ None SSE2 SSE4.1 AVX_128_FMA AVX_256 AVX2_256 AVX_512F AVX_512ER MIC ARM_NEON ARM_NEON_ASIMD IBM_QPX IBM_VMX IBM_VSX Sparc64_HPC_ACE Reference)
+
+if(GMX_TARGET_MIC)
+ set(GMX_FFT_LIBRARY_DEFAULT "mkl")
+else()
+ set(GMX_FFT_LIBRARY_DEFAULT "fftw3")
+endif()
gmx_option_multichoice(
GMX_FFT_LIBRARY
"FFT library"
- "fftw3"
+ "${GMX_FFT_LIBRARY_DEFAULT}"
fftw3 mkl "fftpack[built-in]")
gmx_dependent_option(
GMX_BUILD_OWN_FFTW
option(GMX_USE_TNG "Use the TNG library for trajectory I/O" ON)
-option(GMX_GIT_VERSION_INFO "Generate git version information" ${SOURCE_IS_GIT_REPOSITORY})
-mark_as_advanced(GMX_GIT_VERSION_INFO)
-
-if(UNIX)
- option(GMX_SYMLINK_OLD_BINARY_NAMES "Create symbolic links for pre-5.0 binary names" ON)
-endif()
option(GMX_BUILD_MDRUN_ONLY "Build and install only the mdrun binary" OFF)
option(GMX_CYCLE_SUBCOUNTERS "Enable cycle subcounters to get a more detailed cycle timings" OFF)
OFF)
mark_as_advanced(GMX_DEVELOPER_BUILD)
+option(GMX_BUILD_SHARED_EXE
+ "Build exectuables as shared binaries. If not set, this disables rpath and dynamic linker flags in an attempt to build a static binary, but this may require setting up the toolchain properly and making appropriate libraries available."
+ ON)
+mark_as_advanced(GMX_BUILD_SHARED_EXE)
+
######################################################################
# Detect OpenMP support
######################################################################
endif()
-
-set(PKG_CFLAGS "")
if(GMX_DOUBLE)
add_definitions(-DGMX_DOUBLE)
- set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_DOUBLE")
+ list(APPEND INSTALLED_HEADER_DEFINITIONS "-DGMX_DOUBLE")
if(GMX_RELAXED_DOUBLE_PRECISION)
add_definitions(-DGMX_RELAXED_DOUBLE_PRECISION)
endif()
endif()
if(GMX_SOFTWARE_INVSQRT)
- set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_SOFTWARE_INVSQRT")
+ list(APPEND INSTALLED_HEADER_DEFINITIONS "-DGMX_SOFTWARE_INVSQRT")
endif()
-if(WIN32 AND NOT CYGWIN)
+if(WIN32)
list(APPEND GMX_EXTRA_LIBRARIES "wsock32")
add_definitions(-DGMX_HAVE_WINSOCK)
endif()
check_include_files(sched.h HAVE_SCHED_H)
check_include_files(regex.h HAVE_POSIX_REGEX)
-check_include_file_cxx(regex HAVE_CXX11_REGEX)
# TODO: It could be nice to inform the user if no regex support is found,
# as selections won't be fully functional.
-include(CheckFunctionExists)
-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(fsync HAVE_FSYNC)
-check_function_exists(_fileno HAVE__FILENO)
-check_function_exists(fileno HAVE_FILENO)
-check_function_exists(_commit HAVE__COMMIT)
-check_function_exists(sigaction HAVE_SIGACTION)
-check_function_exists(sysconf HAVE_SYSCONF)
-check_function_exists(rsqrt HAVE_RSQRT)
-check_function_exists(rsqrtf HAVE_RSQRTF)
-check_function_exists(sqrtf HAVE_SQRTF)
+include(CheckCXXSymbolExists)
+check_cxx_symbol_exists(posix_memalign stdlib.h HAVE_POSIX_MEMALIGN)
+check_cxx_symbol_exists(memalign stdlib.h HAVE_MEMALIGN)
+check_cxx_symbol_exists(_aligned_malloc stdlib.h HAVE__ALIGNED_MALLOC)
+check_cxx_symbol_exists(gettimeofday sys/time.h HAVE_GETTIMEOFDAY)
+check_cxx_symbol_exists(sysconf unistd.h HAVE_SYSCONF)
+check_cxx_symbol_exists(nice unistd.h HAVE_NICE)
+check_cxx_symbol_exists(fsync unistd.h HAVE_FSYNC)
+check_cxx_symbol_exists(_fileno stdio.h HAVE__FILENO)
+check_cxx_symbol_exists(fileno stdio.h HAVE_FILENO)
+check_cxx_symbol_exists(_commit io.h HAVE__COMMIT)
+check_cxx_symbol_exists(sigaction signal.h HAVE_SIGACTION)
+check_cxx_symbol_exists(rsqrt math.h HAVE_RSQRT)
+check_cxx_symbol_exists(rsqrtf math.h HAVE_RSQRTF)
+check_cxx_symbol_exists(sqrtf math.h HAVE_SQRTF)
include(CheckLibraryExists)
-check_library_exists(m sqrt "" HAVE_LIBM)
+find_library(HAVE_LIBM m)
check_library_exists(rt clock_gettime "" HAVE_CLOCK_GETTIME)
+check_library_exists(m feenableexcept "" HAVE_FEENABLEEXCEPT)
include(TestSchedAffinity)
test_sched_affinity(HAVE_SCHED_AFFINITY)
include(TestBigEndian)
test_big_endian(GMX_INTEGER_BIG_ENDIAN)
+set(GMX_USE_NICE 0)
+if (HAVE_UNISTD_H AND HAVE_NICE)
+ set(GMX_USE_NICE 1)
+endif()
+
# Management of GROMACS options for specific toolchains should go
# here. Because the initial settings for some of the main options have
# already happened, but things like library detection and MPI compiler
# Find external packages #
########################################################################
+# TNG wants zlib if it is available. And static libxml2 might have a dependency
+find_package(ZLIB QUIET)
+include(gmxTestZLib)
+gmx_test_zlib(HAVE_ZLIB)
+
# Unconditionally find the package, as it is also required for unit
# tests. This exports LIBXML2_FOUND, which we should not use because
# it does not tell us that linking will succeed. Instead, we test that
if(GMX_THREAD_MPI)
# enable MPI functions
tmpi_enable()
- set(GMX_MPI 1)
set(MPI_IN_PLACE_EXISTS 1)
endif()
# If atomics are manually disabled a define is needed because atomics.h doesn't depend on config.h
set(GMX_CYGWIN 1)
endif()
-if(WIN32 AND NOT CYGWIN)
+if(WIN32)
set(GMX_NATIVE_WINDOWS 1)
# This makes windows.h not declare min/max as macros that would break
# C++ code using std::min/std::max.
add_definitions(-DNOMINMAX)
endif()
-# only bother with finding git and using version.h if the source is a git repo
-if(GMX_GIT_VERSION_INFO)
- if (NOT SOURCE_IS_GIT_REPOSITORY)
- message(FATAL_ERROR
- "Cannot generate git version information from source tree not under git. "
- "Set GMX_GIT_VERSION_INFO=OFF to proceed.")
+if(CMAKE_SYSTEM_NAME STREQUAL "Darwin") #Work-around for cmake bug #10837
+ if (CMAKE_COMPILER_IS_GNUCC OR CMAKE_C_COMPILER_ID MATCHES "Intel" OR CMAKE_C_COMPILER_ID MATCHES "Clang")
+ set(CMAKE_INCLUDE_SYSTEM_FLAG_C "-isystem ")
endif()
- # We need at least git v1.5.3 be able to parse git's date output. If not
- # found or the version is too small, we can't generate version information.
- find_package(Git)
-
- if(NOT GIT_FOUND OR GIT_VERSION_STRING VERSION_LESS "1.5.3")
- message(FATAL_ERROR
- "No compatible git version found (>= 1.5.3 required). "
- "Won't be able to generate development version information. "
- "Set GMX_GIT_VERSION_INFO=OFF to proceed.")
+ if (CMAKE_COMPILER_IS_GNUCXX OR CMAKE_CXX_COMPILER_ID MATCHES "Intel" OR CMAKE_CXX_COMPILER_ID MATCHES "Clang")
+ set(CMAKE_INCLUDE_SYSTEM_FLAG_CXX "-isystem ")
endif()
endif()
# Detect boost unless GMX_EXTERNAL_BOOST is explicitly OFF
# Used for default if GMX_EXTERNAL_BOOST is not defined (first CMake pass)
if(NOT DEFINED GMX_EXTERNAL_BOOST OR GMX_EXTERNAL_BOOST)
+ if(DEFINED Boost_INCLUDE_DIR)
+ set(Boost_FIND_QUIETLY TRUE)
+ endif()
find_package(Boost 1.44.0)
if(Boost_FOUND AND Boost_VERSION VERSION_LESS "104400")
set(Boost_FOUND FALSE)
if(NOT DEFINED GMX_EXTERNAL_BOOST AND NOT Boost_FOUND)
message("Boost >= 1.44 not found. Using minimal internal version. "
"This may cause trouble if you plan on compiling/linking other "
- "software that uses Boost against Gromacs.")
+ "software that uses Boost against GROMACS.")
endif()
endif()
option(GMX_EXTERNAL_BOOST "Use external Boost instead of minimal built-in version"
message(FATAL_ERROR
"Boost >= 1.44 not found. "
"You can set GMX_EXTERNAL_BOOST=OFF to compile against minimal "
- "version of Boost included with Gromacs.")
+ "version of Boost included with GROMACS.")
endif()
if(NOT DEFINED GMX_BUILD_UNITTESTS AND NOT HAVE_LIBXML2)
"Either set GMX_BUILD_UNITTESTS=OFF or tell CMake how to find a working version of libxml2.")
endif()
-if(GMX_USE_TNG AND NOT GMX_EXTERNAL_TNG)
- # TNG wants zlib if it is available
- find_package(ZLIB QUIET)
- include(gmxTestZLib)
- gmx_test_zlib(HAVE_ZLIB)
-endif()
-
-########################################################################
-# Generate development version info for cache
-########################################################################
-# set(GEN_VERSION_INFO_INTERNAL "ON")
-# include(gmxGenerateVersionString)
-
########################################################################
# Our own GROMACS tests
########################################################################
include_directories(BEFORE ${CMAKE_SOURCE_DIR}/src/external/thread_mpi/include)
# Required for config.h, maybe should only be set in src/CMakeLists.txt
include_directories(BEFORE ${CMAKE_BINARY_DIR}/src)
-# Required for gmx_header_config_gen.h to be found before installation
-include_directories(BEFORE ${CMAKE_BINARY_DIR}/src/gromacs/utility)
-# Required for now to make old code compile
-include_directories(BEFORE ${CMAKE_SOURCE_DIR}/src/gromacs/legacyheaders)
include(gmxTestInlineASM)
gmx_test_inline_asm_gcc_x86(GMX_X86_GCC_INLINE_ASM)
include(gmxTestCXX11)
gmx_test_cxx11(GMX_CXX11_SUPPORTED GMX_CXX11_FLAGS)
include(CMakeDependentOption)
+# clang with some older versions of boost fail to work with C++11
+if(CMAKE_CXX_COMPILER_ID MATCHES Clang AND
+ (Boost_VERSION VERSION_EQUAL 104601 OR Boost_VERSION VERSION_EQUAL 104700))
+ set(CLANG_AND_OLD_EXTERNAL_BOOST TRUE)
+endif()
# nvcc does not support C++11 flags, so with GPUs we prefer to skip C++11 flags
# entirely to keep the compilation environment uniform.
cmake_dependent_option(GMX_CXX11
"Use C++11 features"
- ON "GMX_CXX11_SUPPORTED AND NOT GMX_GPU" OFF)
+ ON "GMX_CXX11_SUPPORTED AND NOT GMX_GPU AND NOT CLANG_AND_OLD_EXTERNAL_BOOST" OFF)
mark_as_advanced(GMX_CXX11)
if(GMX_CXX11)
set(EXTRA_CXX_FLAGS "${EXTRA_CXX_FLAGS} ${GMX_CXX11_FLAGS}")
endif()
+# Now we can test for CXX11_REGEX include file
+check_include_file_cxx(regex HAVE_CXX11_REGEX)
include(gmxTestXDR)
gmx_test_xdr(GMX_SYSTEM_XDR)
# Process SIMD instruction settings
##################################################
# This checks what flags to add in order to
-# support the SIMD instructions we need, and sets
-# correct defines for the SIMD instructions supported.
-include(gmxTestSimd)
-gmx_test_simd()
-
+# support the SIMD instructions we need, it sets
+# correct defines for the SIMD instructions supported,
+# and adds advanced options to control accuracy
+# for SIMD math operations.
+include(gmxManageSimd)
+gmx_manage_simd()
# Process QM/MM Settings
if(${GMX_QMMM_PROGRAM} STREQUAL "GAUSSIAN")
set(GMX_USE_PLUGINS OFF)
if(GMX_LOAD_PLUGINS)
- if(CYGWIN OR NOT WIN32)
+ if(NOT WIN32)
# Native Windows does not have, nor need dlopen
- # Note that WIN32 is set with Cygwin, but Cygwin needs dlopen to use plug-ins
include(gmxTestdlopen)
gmx_test_dlopen(HAVE_DLOPEN)
endif()
# so, should we use plug-ins?
- if((WIN32 AND NOT CYGWIN) OR (HAVE_DLOPEN AND BUILD_SHARED_LIBS))
+ if(WIN32 OR (HAVE_DLOPEN AND BUILD_SHARED_LIBS))
if(NOT VMD_QUIETLY)
MESSAGE(STATUS "Using dynamic plugins (e.g VMD-supported file formats)")
endif()
if (GMX_NACL)
list(APPEND GMX_EXTRA_LIBRARIES nosys)
set(GMX_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} -lnosys")
- set(GMX_NO_NICE 1)
+ # TODO: Is this still necessary with the check for its presence?
+ set(GMX_USE_NICE 0)
set(GMX_NO_RENAME 1)
endif()
mark_as_advanced(GMX_NACL)
include_directories(${COREWRAP_INCLUDE_DIR})
endif()
-option(GMX_BUILD_HELP "Build man pages, HTML help, and completions automatically (requires that compiled binaries can be executed on the build host)" OFF)
+# Value of GMX_BUILD_HELP=AUTO tries to generate things, but will only
+# produce warnings if that fails.
+set(build_help_default AUTO)
+if (SOURCE_IS_SOURCE_DISTRIBUTION OR CMAKE_CROSSCOMPILING)
+ set(build_help_default OFF)
+endif()
+gmx_option_trivalue(GMX_BUILD_HELP "Build completions automatically (requires that compiled binaries can be executed on the build host) and install man pages if built (requires building the 'man' target manually)" ${build_help_default})
mark_as_advanced(GMX_BUILD_HELP)
-if (GMX_BUILD_HELP AND SOURCE_IS_SOURCE_DISTRIBUTION AND
- "${CMAKE_CURRENT_SOURCE_DIR}" STREQUAL "${CMAKE_CURRENT_BINARY_DIR}")
-
+if (GMX_BUILD_HELP AND SOURCE_IS_SOURCE_DISTRIBUTION AND BUILD_IS_INSOURCE)
message(FATAL_ERROR
- "Rebuilding HTML and man pages is not supported for in-source "
- "builds from a source distribution. "
+ "Rebuilding shell completions or man pages is not supported for "
+ "in-source builds from a source distribution. "
"Set GMX_BUILD_HELP=OFF or do an out-of-source build to proceed.")
endif()
set(GMX_EXE_LINKER_FLAGS ${GMX_EXE_LINKER_FLAGS} ${OpenMP_LINKER_FLAGS})
set(GMX_SHARED_LINKER_FLAGS ${GMX_SHARED_LINKER_FLAGS} ${OpenMP_SHARED_LINKER_FLAGS})
endif()
-set(PKG_CFLAGS "${PKG_CFLAGS} ${OpenMP_C_FLAGS}")
########################################################################
# Specify install locations
# These variables are used internally to provide a central location for
# customizing the install locations.
-set(LIB_INSTALL_DIR ${GMX_LIB_INSTALL_DIR})
-set(BIN_INSTALL_DIR bin)
-set(DATA_INSTALL_DIR share/${GMX_DATA_INSTALL_DIR})
-set(MAN_INSTALL_DIR share/man)
-set(INCL_INSTALL_DIR include)
-
-# These variables get written into config.h for use in finding the data
+set(LIB_INSTALL_DIR ${GMX_LIB_INSTALL_DIR})
+set(BIN_INSTALL_DIR bin)
+# This variable also gets written into config.h for use in finding the data
# directories.
-set(GMXLIB_SEARCH_DIR share/${GMX_DATA_INSTALL_DIR}/top)
-set(GMXLIB_FALLBACK ${CMAKE_INSTALL_PREFIX}/${DATA_INSTALL_DIR}/top)
+set(DATA_INSTALL_DIR share/${GMX_DATA_INSTALL_DIR})
+set(MAN_INSTALL_DIR share/man)
+# If the nesting level wrt. the installation root is changed,
+# gromacs-config.cmake.cmakein needs to be adapted.
+set(CMAKE_INSTALL_DIR share/cmake)
+# TODO: Make GMXRC adapt if this is changed
+set(PKGCONFIG_INSTALL_DIR ${LIB_INSTALL_DIR}/pkgconfig)
+set(OCL_INSTALL_DIR ${DATA_INSTALL_DIR}/opencl)
+set(INCL_INSTALL_DIR include)
+
+list(APPEND INSTALLED_HEADER_INCLUDE_DIRS ${INCL_INSTALL_DIR})
# Binary and library suffix options
include(gmxManageSuffixes)
# CMake supports RPATH on OS X only from 2.8.12 upwards.
# CMAKE_SYSTEM_VERSION > 8.0 matches OS X 10.5 and above, where RPATH support
# was added.
-if((NOT CMAKE_SYSTEM_NAME STREQUAL "Darwin") OR
+
+if(NOT GMX_BUILD_SHARED_EXE)
+ # No rpath
+ set(CMAKE_SKIP_RPATH TRUE)
+ set(CMAKE_EXE_LINK_DYNAMIC_C_FLAGS) # remove -Wl,-Bdynamic
+ set(CMAKE_EXE_LINK_DYNAMIC_CXX_FLAGS)
+elseif((NOT CMAKE_SYSTEM_NAME STREQUAL "Darwin") OR
((CMAKE_SYSTEM_VERSION VERSION_GREATER 8.0) AND (NOT CMAKE_VERSION VERSION_LESS 2.8.12)))
# The build folder always has bin/ and lib/; if we are also going to
# install to lib/, then the installation RPATH works also in the build
install(FILES COPYING DESTINATION ${DATA_INSTALL_DIR} COMPONENT data)
if(GMX_EXTERNAL_BOOST)
- include_directories(${Boost_INCLUDE_DIRS})
- set(PKG_CFLAGS "${PKG_CFLAGS} -I${Boost_INCLUDE_DIRS}")
+ include_directories(SYSTEM ${Boost_INCLUDE_DIRS})
+ list(APPEND INSTALLED_HEADER_INCLUDE_DIRS ${Boost_INCLUDE_DIRS})
else()
- include_directories(BEFORE ${CMAKE_SOURCE_DIR}/src/external/boost)
+ include_directories(BEFORE SYSTEM ${CMAKE_SOURCE_DIR}/src/external/boost)
+ list(APPEND INSTALLED_HEADER_INCLUDE_DIRS ${INCL_INSTALL_DIR}/gromacs/external/boost)
+ list(APPEND INSTALLED_HEADED_DEFINITIONS "-DBOOST_NO_TYPEID")
# typeid not supported for minimal internal version
# (would add significant amount of code)
add_definitions(-DBOOST_NO_TYPEID)
- # TODO: Propagate the above settings to the installed CMakeFiles.txt template
- # (from share/template/)
- set(PKG_CFLAGS "${PKG_CFLAGS} -DBOOST_NO_TYPEID -I${CMAKE_INSTALL_PREFIX}/${INCL_INSTALL_DIR}/gromacs/external/boost")
if (NOT GMX_BUILD_MDRUN_ONLY)
install(DIRECTORY ${CMAKE_SOURCE_DIR}/src/external/boost/boost
DESTINATION ${INCL_INSTALL_DIR}/gromacs/external/boost
add_subdirectory(tests)
endif()
+gmx_cpack_write_config()
+
# Issue a warning if NVIDIA GPUs were detected, but CUDA was not found.
# Don't bother the user after the first configure pass.
if ((CUDA_NOTFOUND_AUTO AND GMX_DETECT_GPU_AVAILABLE) AND NOT GMX_GPU_DETECTION_DONE)
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff