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CMakeLists.txt
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# Please ensure that any changes remain compliant with 2.4.8.
if (NOT EMBED_OPENBABEL)
cmake_minimum_required(VERSION 2.4.8)
endif (NOT EMBED_OPENBABEL)
project(openbabel)
set(CMAKE_MODULE_PATH ${openbabel_SOURCE_DIR}/cmake/modules)
if(COMMAND cmake_policy)
cmake_policy(SET CMP0003 NEW)
cmake_policy(SET CMP0005 OLD) # add_definitions need updating to set to NEW
endif(COMMAND cmake_policy)
include (CheckCXXCompilerFlag)
include (MacroEnsureVersion)
# Version numbering - should be bumped for each release
set(BABEL_MAJ_VER 2)
set(BABEL_MIN_VER 2)
set(BABEL_PATCH_VER 99)
# This should be phased out in preference for just using the target name
set(BABEL_LIBRARY openbabel)
# This would be better handled with external projects...
if(EMBED_OPENBABEL)
set(BABEL_VERSION "${BABEL_MAJ_VER}.${BABEL_MIN_VER}.${BABEL_PATCH_VER}" PARENT_SCOPE)
else(EMBED_OPENBABEL)
set(BABEL_VERSION "${BABEL_MAJ_VER}.${BABEL_MIN_VER}.${BABEL_PATCH_VER}")
endif(EMBED_OPENBABEL)
set(BABEL_DATADIR "${CMAKE_INSTALL_PREFIX}/share/openbabel")
option(ENABLE_VERSIONED_FORMATS
"Enable versioning of the format plugin directory" ON)
# Set up our path handling, inspired by the path handling used in KDE
set(BIN_INSTALL_DIR "bin"
CACHE PATH "Install dir for binaries")
set(LIB_SUFFIX "" CACHE STRING "Suffix of the directory name, e.g. 64 for lib64")
if(UNIX)
set(LIB_INSTALL_DIR "lib${LIB_SUFFIX}"
CACHE PATH "Install dir for libraries")
if(ENABLE_VERSIONED_FORMATS)
set(OB_PLUGIN_INSTALL_DIR "${LIB_INSTALL_DIR}/openbabel/${BABEL_VERSION}"
CACHE PATH "Install dir for plugins")
else(ENABLE_VERSIONED_FORMATS)
set(OB_PLUGIN_INSTALL_DIR "${LIB_INSTALL_DIR}/openbabel"
CACHE PATH "Install dir for plugins")
endif(ENABLE_VERSIONED_FORMATS)
else(UNIX) # Windows - bin dir = lib dir to load libraries
set(LIB_INSTALL_DIR "${BIN_INSTALL_DIR}"
CACHE PATH "Install dir for libraries")
if(MSVC)
set(OB_PLUGIN_INSTALL_DIR "${BIN_INSTALL_DIR}"
CACHE PATH "Install dir for plugins")
else(MSVC)
if(ENABLE_VERSIONED_FORMATS)
set(OB_PLUGIN_INSTALL_DIR "lib${LIB_SUFFIX}/openbabel/${BABEL_VERSION}"
CACHE PATH "Install dir for plugins")
else(ENABLE_VERSIONED_FORMATS)
set(OB_PLUGIN_INSTALL_DIR "lib${LIB_SUFFIX}/openbabel"
CACHE PATH "Install dir for plugins")
endif(ENABLE_VERSIONED_FORMATS)
endif(MSVC)
endif(UNIX)
set(OB_INCLUDE_DIRS "include/openbabel-2.0")
set(OB_EXPORTS_FILE "${openbabel_BINARY_DIR}/OpenBabel2_EXPORTS.cmake")
# Ensure a fresh file is made each time CMake is run
file(REMOVE "${OB_EXPORTS_FILE}")
# Place binaries and libraries in the root of the build directory
set(CMAKE_RUNTIME_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/bin"
CACHE STRING "Binary build output directory")
set(CMAKE_LIBRARY_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}"
CACHE STRING "Library build output directory")
mark_as_advanced(CMAKE_LIBRARY_OUTPUT_DIRECTORY
CMAKE_RUNTIME_OUTPUT_DIRECTORY)
option(WITH_INCHI "build inchi lib" OFF)
option(BUILD_SHARED "enable shared build support" ON)
option(BUILD_MIXED "enable linux relocatable binaries support" OFF)
if(BUILD_SHARED)
set(BUILD_TYPE SHARED)
set(PLUGIN_TYPE MODULE)
add_definitions(-DUSING_DYNAMIC_LIBS)
else(BUILD_SHARED)
set(BUILD_TYPE STATIC)
set(PLUGIN_TYPE STATIC)
if(MSVC)
# set cl flags for static compiling
set(CMAKE_CXX_FLAGS_RELEASE
"/MT /O2 /Ob2 /D NDEBUG")
set(CMAKE_EXE_LINKER_FLAGS_RELEASE
"/INCREMENTAL:NO /NODEFAULTLIB:MSVCRT")
endif(MSVC)
endif(BUILD_SHARED)
if(WIN32)
# FIXME: not used on windows... - inconsistency
set(MODULE_EXTENSION ".obf")
else(WIN32)
set(MODULE_EXTENSION ".so")
endif(WIN32)
# configure checks
find_package(LibXml2)
find_package(ZLIB)
if(ZLIB_FOUND)
add_definitions(-DHAVE_LIBZ)
include_directories(${ZLIB_INCLUDE_DIR})
# Longstanding unsolved problem with compression under Windows
if(WIN32)
add_definitions(-DDISABLE_WRITE_COMPRESSION)
endif(WIN32)
# static build
if(NOT BUILD_SHARED)
set(STATIC_ZLIB_NAMES z.a zlib.a zdll.a libz.a)
find_library(ZLIB_LIBRARY NAMES ${STATIC_ZLIB_NAMES} )
endif(NOT BUILD_SHARED)
endif(ZLIB_FOUND)
# wxWidgets instructions based on http://wiki.wxwidgets.org/CMake
#find_package(wxWidgets COMPONENTS base core REQUIRED)
find_package(wxWidgets COMPONENTS base core)
if(wxWidgets_FOUND)
include(${wxWidgets_USE_FILE})
add_definitions(-DHAVE_WXWIDGETS)
include_directories(${wxWidgets_INCLUDE_DIRS})
endif(wxWidgets_FOUND)
if(MSVC)
include_directories(${openbabel_SOURCE_DIR}/windows-vc2008/include)
# The following line is required for check_include_file(rpc/xdr.h ...) below
set(CMAKE_REQUIRED_INCLUDES ${openbabel_SOURCE_DIR}/windows-vc2008/include)
endif(MSVC)
include(CheckIncludeFile)
include(CheckIncludeFileCXX)
include(CheckSymbolExists)
include(CheckLibraryExists)
include(CheckTypeSize)
include(CheckCSourceCompiles)
check_include_file(conio.h HAVE_CONIO_H)
check_include_file(sys/time.h HAVE_SYS_TIME_H)
check_include_file(time.h HAVE_TIME_H)
check_include_file(strings.h HAVE_STRINGS_H)
check_include_file(rpc/xdr.h HAVE_RPC_XDR_H)
check_include_file(regex.h HAVE_REGEX_H)
check_include_file_cxx(sstream HAVE_SSTREAM)
check_symbol_exists(rint "math.h" HAVE_RINT)
check_symbol_exists(snprintf "stdio.h" HAVE_SNPRINTF)
check_symbol_exists(sranddev "stdlib.h" HAVE_SRANDDEV)
check_symbol_exists(strcasecmp "string.h" HAVE_STRCASECMP)
check_symbol_exists(strncasecmp "string.h" HAVE_STRNCASECMP)
# BSDs don't link against libdl, but rather libc
check_library_exists(dl dlopen "" HAVE_LIBDL)
set(CMAKE_EXTRA_INCLUDE_FILES time.h)
check_type_size(clock_t CLOCK_T)
# Get the GCC version - from KDE4 cmake files
if(CMAKE_COMPILER_IS_GNUCXX)
exec_program(${CMAKE_C_COMPILER} ARGS --version OUTPUT_VARIABLE _gcc_version_info)
string (REGEX MATCH "[345]\\.[0-9]\\.[0-9]" _gcc_version "${_gcc_version_info}")
# gcc on mac just reports: "gcc (GCC) 3.3 20030304 ..." without the
# patch level, handle this here:
if (NOT _gcc_version)
string (REGEX REPLACE ".*\\(GCC\\).* ([34]\\.[0-9]) .*" "\\1.0" _gcc_version "${_gcc_version_info}")
endif (NOT _gcc_version)
macro_ensure_version("4.0.0" "${_gcc_version}" GCC_IS_NEWER_THAN_4_0)
macro_ensure_version("4.1.0" "${_gcc_version}" GCC_IS_NEWER_THAN_4_1)
macro_ensure_version("4.2.0" "${_gcc_version}" GCC_IS_NEWER_THAN_4_2)
endif(CMAKE_COMPILER_IS_GNUCXX)
if(NOT MSVC)
SET(CMAKE_REQUIRED_FLAGS -Werror)
check_c_source_compiles("
#include <sys/types.h>
#include <dirent.h>
int main(){
extern int matchFiles (struct dirent *entry_p);
struct dirent **entries_pp;
int count = scandir (\"./\", &entries_pp, matchFiles, 0);
return 0;
}
" SCANDIR_NEEDS_CONST)
set(OB_MODULE_PATH "${CMAKE_INSTALL_PREFIX}/${OB_PLUGIN_INSTALL_DIR}")
add_definitions(-DOB_MODULE_PATH="\\"${OB_MODULE_PATH}\\"")
# Add some visibility support when using GCC
# note: Altough MinGW g++ 4.4 passes this test, visibility can't be used
if (CMAKE_COMPILER_IS_GNUCXX AND NOT APPLE)
if (CMAKE_SYSTEM_NAME MATCHES Linux)
set (CMAKE_SHARED_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_SHARED_LINKER_FLAGS}")
set (CMAKE_SHARED_LINKER_FLAGS "-Wl,--enable-new-dtags ${CMAKE_SHARED_LINKER_FLAGS}")
set (CMAKE_MODULE_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_SHARED_LINKER_FLAGS}")
set (CMAKE_MODULE_LINKER_FLAGS "-Wl,--enable-new-dtags ${CMAKE_SHARED_LINKER_FLAGS}")
set (CMAKE_EXE_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_SHARED_LINKER_FLAGS}")
set (CMAKE_EXE_LINKER_FLAGS "-Wl,--enable-new-dtags ${CMAKE_EXE_LINKER_FLAGS}")
endif (CMAKE_SYSTEM_NAME MATCHES Linux)
# Now check if we can use visibility to selectively export symbols
check_cxx_compiler_flag(-fvisibility=hidden HAVE_GCC_VISIBILITY)
set(HAVE_GCC_VISIBILITY ${HAVE_GCC_VISIBILITY} CACHE BOOL "GCC support for hidden visibility")
set(_GCC_COMPILED_WITH_BAD_ALLOCATOR FALSE)
if (GCC_IS_NEWER_THAN_4_1)
exec_program(${CMAKE_C_COMPILER} ARGS -v OUTPUT_VARIABLE _gcc_alloc_info)
string(REGEX MATCH "(--enable-libstdcxx-allocator=mt)" _GCC_COMPILED_WITH_BAD_ALLOCATOR "${_gcc_alloc_info}")
endif (GCC_IS_NEWER_THAN_4_1)
if (HAVE_GCC_VISIBILITY AND GCC_IS_NEWER_THAN_4_2 AND NOT _GCC_COMPILED_WITH_BAD_ALLOCATOR)
# We have all the parts necessary - use visibility support
add_definitions(-DHAVE_GCC_VISIBILITY)
set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fvisibility=hidden")
set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fvisibility-inlines-hidden")
endif (HAVE_GCC_VISIBILITY AND GCC_IS_NEWER_THAN_4_2 AND NOT _GCC_COMPILED_WITH_BAD_ALLOCATOR)
endif (CMAKE_COMPILER_IS_GNUCXX AND NOT APPLE)
endif(NOT MSVC)
# To avoid warnings when linking the plugins and exes
if(MINGW)
set (CMAKE_MODULE_LINKER_FLAGS "-Wl,--enable-auto-import ${CMAKE_MODULE_LINKER_FLAGS}")
set (CMAKE_EXE_LINKER_FLAGS "-Wl,--enable-auto-import ${CMAKE_EXE_LINKER_FLAGS}")
endif(MINGW)
if(CMAKE_COMPILER_IS_GNUCXX)
if(NOT GCC_IS_NEWER_THAN_4_0) # GCC 3.x
find_package(Boost)
if(Boost_FOUND)
include_directories(${Boost_INCLUDE_DIRS} ${Boost_INCLUDE_DIR})
add_definitions(-DUSE_BOOST -DHAVE_SHARED_POINTER)
set(SHARED_POINTER true)
else(Boost_FOUND)
message(FATAL_ERROR "Boost is required to compile OpenBabel with GCC 3.x")
endif(Boost_FOUND)
else(NOT GCC_IS_NEWER_THAN_4_0)
set(SHARED_POINTER true)
endif(NOT GCC_IS_NEWER_THAN_4_0)
endif(CMAKE_COMPILER_IS_GNUCXX)
# Intel C++ Compiler
# Note: Windows version uses different options!
if(${CMAKE_CXX_COMPILER_ID} MATCHES Intel AND UNIX)
add_definitions (-D_BSD_SOURCE)
# Set some linker flags
if(CMAKE_SYSTEM_NAME MATCHES Linux)
set(CMAKE_SHARED_LINKER_FLAGS
"-lc ${CMAKE_SHARED_LINKER_FLAGS}")
set(CMAKE_MODULE_LINKER_FLAGS
"-lc ${CMAKE_MODULE_LINKER_FLAGS}")
set (CMAKE_EXE_LINKER_FLAGS
"-lc ${CMAKE_EXE_LINKER_FLAGS}")
endif (CMAKE_SYSTEM_NAME MATCHES Linux)
check_cxx_compiler_flag(-fvisibility=hidden HAVE_INTEL_VISIBILITY)
set(HAVE_INTEL_VISIBILITY ${HAVE_INTEL_VISIBILITY} CACHE BOOL "Intel Compiler support for hidden visibility")
if(HAVE_INTEL_VISIBILITY)
add_definitions(-DHAVE_GCC_VISIBILITY)
# set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fvisibility=hidden")
check_cxx_compiler_flag(-fvisibility-inlines-hidden HAVE_INTEL_VISIBILITY_INLINES)
set(HAVE_INTEL_VISIBILITY_INLINES ${HAVE_INTEL_VISIBILITY_INLINES} CACHE BOOL "Intel Compiler support for -fvisibility-inlines-hidden")
if(HAVE_INTEL_VISIBILITY_INLINES)
set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fvisibility-inlines-hidden")
endif(HAVE_INTEL_VISIBILITY_INLINES)
endif(HAVE_INTEL_VISIBILITY)
set(CMAKE_C_FLAGS_RELEASE "-O3 -ipo1 -DNDEBUG -Wl,-s")
set(CMAKE_CXX_FLAGS_RELEASE "-O3 -ipo1 -DNDEBUG -Wl,-s")
# define WITH_SSE2 to enable the SSE2 instruction set.
# Available on Pentium 4, Athlon 64, and newer CPUs.
if(CMAKE_SIZEOF_VOID_P EQUAL 8 OR WITH_SSE2)
message(STATUS "Enabling the SSE2 instruction set")
set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -msse2")
endif(CMAKE_SIZEOF_VOID_P EQUAL 8 OR WITH_SSE2)
endif(${CMAKE_CXX_COMPILER_ID} MATCHES Intel AND UNIX)
#Find if OpenMP support is enabled
option(ENABLE_OPENMP
"Enable support for OpenMP compilation of forcefield code"
OFF)
if(ENABLE_OPENMP)
find_package(OpenMP)
if(OPENMP_FOUND)
set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} ${OpenMP_EXE_LINKER_FLAGS}")
endif()
endif()
if(MSVC90)
# To be added: AND SP1 OR gcc>4.0
add_definitions(-DHAVE_SHARED_POINTER)
set(SHARED_POINTER true)
endif(MSVC90)
# Some rpath handling for Linux and Mac
if(UNIX)
if(APPLE)
set(CMAKE_INSTALL_NAME_DIR ${CMAKE_INSTALL_PREFIX}/${LIB_INSTALL_DIR})
else(APPLE)
set(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/${LIB_INSTALL_DIR}")
set(CMAKE_SKIP_BUILD_RPATH FALSE)
set(CMAKE_BUILD_WITH_INSTALL_RPATH FALSE)
set(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE)
endif(APPLE)
endif(UNIX)
# this is adapted from KDE's FindKDE4Internal.cmake : default the build type to
# "release with debug info".
#
# We will define two other build types: Debug and Release.
# These names are case-insensitive i.e. you can do -DCMAKE_BUILD_TYPE=debug
if (NOT CMAKE_BUILD_TYPE)
set(CMAKE_BUILD_TYPE RelWithDebInfo)
endif (NOT CMAKE_BUILD_TYPE)
#define various build types
if (CMAKE_COMPILER_IS_GNUCXX)
set (CMAKE_CXX_FLAGS_RELEASE "${CMAKE_CXX_FLAGS_RELEASE} -O2 -DNDEBUG")
set (CMAKE_CXX_FLAGS_RELWITHDEBINFO "${CMAKE_CXX_FLAGS_RELWITHDEBINFO} -O2 -g")
set (CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG} -g3 -fno-inline")
endif (CMAKE_COMPILER_IS_GNUCXX)
file(GLOB_RECURSE headers include/openbabel/*.h)
configure_file(${openbabel_SOURCE_DIR}/src/config.h.cmake
${openbabel_BINARY_DIR}/include/openbabel/babelconfig.h)
install(FILES ${openbabel_BINARY_DIR}/include/openbabel/babelconfig.h
DESTINATION include/openbabel-2.0/openbabel)
if(NOT MSVC)
configure_file(${openbabel_SOURCE_DIR}/openbabel-2.0.pc.cmake
${openbabel_BINARY_DIR}/openbabel-2.0.pc @ONLY)
install(FILES ${openbabel_BINARY_DIR}/openbabel-2.0.pc
DESTINATION ${LIB_INSTALL_DIR}/pkgconfig)
endif(NOT MSVC)
include_directories(${openbabel_BINARY_DIR}/include
${openbabel_SOURCE_DIR}/data
${openbabel_SOURCE_DIR}/include
)
#cjh
find_package(Eigen2) # find and setup Eigen2
if (EIGEN2_FOUND)
add_definitions (-DHAVE_EIGEN2)
include_directories(${EIGEN2_INCLUDE_DIR})
else(EIGEN2_FOUND)
message(FATAL_ERROR "Eigen2 is required but was not found. You should specify the folder with -DEIGEN2_INCLUDE_DIR.")
endif(EIGEN2_FOUND)
#cjh
add_subdirectory(include)
add_subdirectory(data)
add_subdirectory(doc)
add_subdirectory(src)
add_subdirectory(tools)
add_subdirectory(parallel)
# Should we build the GUI? Default is yes on Linux or Windows, not Mac.
if (APPLE)
option(BUILD_GUI "Build the GUI" OFF)
else (APPLE)
option(BUILD_GUI "Build the GUI" OFF)
endif(APPLE)
if(BUILD_GUI)
message("Attempting to build the GUI")
if(wxWidgets_FOUND)
message(" wxWidgets found => GUI will be built")
add_subdirectory(src/GUI)
else(wxWidgets_FOUND)
message(" wxWidgets not found => GUI will not be built")
endif(wxWidgets_FOUND)
else(BUILD_GUI)
message("GUI will not be built")
endif(BUILD_GUI)
# Do we want to build the tests?
option(ENABLE_TESTS "Enable unit tests" OFF)
if(ENABLE_TESTS)
include(CTest)
enable_testing()
add_subdirectory(test)
endif()
# Should the language bindings be regenereted?
option(RUN_SWIG "Generate language bindings with SWIG" OFF)
# Should all bindings be built?
option(ALL_BINDINGS "Build all languages bindings" OFF)
# Should Python bindings be built?
option(PYTHON_BINDINGS "Build Python bindings" OFF)
# Should Ruby bindings be built?
option(RUBY_BINDINGS "Build Ruby bindings" OFF)
# Should Perl bindings be built?
option(PERL_BINDINGS "Build Perl bindings" OFF)
# Should Java bindings be built?
option(JAVA_BINDINGS "Build Java bindings" OFF)
# Should CSharp bindings be built?
option(CSHARP_BINDINGS "Build Csharp bindings" OFF)
if (ALL_BINDINGS)
set(PYTHON_BINDINGS ON)
set(RUBY_BINDINGS ON)
set(PERL_BINDINGS ON)
set(JAVA_BINDINGS ON)
set(CSHARP_BINDINGS ON)
endif (ALL_BINDINGS)
add_subdirectory(scripts)
# A minimal build with just two formats (SMI, SDF) useful for developers
option(MINIMAL_BUILD "Disable full build" ON)
# Create the Config and ConfigVersion files in the build directory, useful to
# build against an uninstalled OpenBabel build. Simply set OpenBabel2_DIR to
# point at the build directory and call find_package(OpenBabel2)
set(OpenBabel2_INCLUDE_DIRS
"${openbabel_SOURCE_DIR}/include"
"${openbabel_BINARY_DIR}/include")
configure_file("${openbabel_SOURCE_DIR}/OpenBabel2Config.cmake.in"
"${openbabel_BINARY_DIR}/OpenBabel2Config.cmake" @ONLY)
configure_file("${openbabel_SOURCE_DIR}/OpenBabel2ConfigVersion.cmake.in"
"${openbabel_BINARY_DIR}/OpenBabel2ConfigVersion.cmake" @ONLY)
# Now to configure the installed config file.
set(OB_CONFIG_DIR "${LIB_INSTALL_DIR}/openbabel")
set(OpenBabel2_INCLUDE_DIRS "\${OpenBabel2_INSTALL_PREFIX}/${OB_INCLUDE_DIRS}")
set(OB_EXPORTS_FILE
"\${OpenBabel2_INSTALL_PREFIX}/${OB_CONFIG_DIR}/OpenBabel2_EXPORTS.cmake")
set(REL_REF)
if(NOT WIN32)
set(REL_REF "/../..")
endif(NOT WIN32)
configure_file("${openbabel_SOURCE_DIR}/OpenBabel2Config.cmake.in"
"${openbabel_BINARY_DIR}/OpenBabel2ConfigInstall.cmake" @ONLY)
install(EXPORT openbabel-targets
DESTINATION "${OB_CONFIG_DIR}"
FILE OpenBabel2_EXPORTS.cmake
COMPONENT Development)
install(FILES "${openbabel_BINARY_DIR}/OpenBabel2ConfigInstall.cmake"
DESTINATION ${OB_CONFIG_DIR}
COMPONENT Development
RENAME OpenBabel2Config.cmake)
install(FILES "${openbabel_BINARY_DIR}/OpenBabel2ConfigVersion.cmake"
DESTINATION ${OB_CONFIG_DIR}
COMPONENT Development)