cmake_minimum_required(VERSION 2.6) if(CMAKE_MAJOR_VERSION EQUAL 2 AND ((CMAKE_MINOR_VERSION EQUAL 8 AND CMAKE_PATCH_VERSION GREATER 1) OR CMAKE_MINOR_VERSION GREATER 8)) cmake_policy(SET CMP0015 OLD) endif() project (RDKit) IF(NOT CMAKE_BUILD_TYPE) SET(CMAKE_BUILD_TYPE Release CACHE STRING "Choose the type of build, options are: None Debug Release RelWithDebInfo MinSizeRel." FORCE) ENDIF(NOT CMAKE_BUILD_TYPE) enable_testing() set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${CMAKE_CURRENT_SOURCE_DIR}/Code/cmake/Modules/") option(RDK_BUILD_SWIG_WRAPPERS "build the experimental SWIG wrappers" OFF ) option(RDK_BUILD_PYTHON_WRAPPERS "build the standard python wrappers" ON ) option(RDK_BUILD_COMPRESSED_SUPPLIERS "build in support for compressed MolSuppliers" OFF ) option(RDK_BUILD_INCHI_SUPPORT "build the rdkit inchi wrapper" OFF ) option(RDK_BUILD_AVALON_SUPPORT "install support for the avalon toolkit. Use the variable AVALONTOOLS_DIR to set the location of the source." OFF ) option(RDK_INSTALL_INTREE "install the rdkit in the source tree (former behavior)" ON ) option(RDK_INSTALL_STATIC_LIBS "install the rdkit static libraries" ON ) option(RDK_BUILD_SLN_SUPPORT "include support for the SLN format" ON ) option(RDK_TEST_MULTITHREADED "run some tests of multithreading" OFF ) include(TestBigEndian) TEST_BIG_ENDIAN(RDK_BIG_ENDIAN) # At build time put runtime binaries in the bin subdirectory set(RDK_RUNTIME_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/bin") set(RDK_LIBRARY_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/lib") set(RDK_ARCHIVE_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/lib") # Also place the python extension where the source tree would expect them set(RDK_PYTHON_OUTPUT_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/rdkit") #------- # Config variables: set(RDKit_Year "2012") set(RDKit_Month "03") set(RDKit_Revision "1") set(RDKit_ABI "1") set(RDKit_CodeDir "${CMAKE_SOURCE_DIR}/Code") set(RDKit_ExternalDir "${CMAKE_SOURCE_DIR}/External") if(RDK_INSTALL_INTREE) set(RDKit_BinDir "${CMAKE_SOURCE_DIR}/bin") set(RDKit_LibDir "${CMAKE_SOURCE_DIR}/lib") set(RDKit_HdrDir "Code") # used in rdkit-config.cmake, path prefix not needed. else(RDK_INSTALL_INTREE) set(RDKit_BinDir "bin") set(RDKit_LibDir "lib${LIB_SUFFIX}") set(RDKit_HdrDir "include/rdkit") set(RDKit_ShareDir "share/RDKit") endif(RDK_INSTALL_INTREE) if(RDK_BUILD_SWIG_WRAPPERS) set(RDKit_JavaLibDir "${RDKit_ExternalDir}/java_lib") endif(RDK_BUILD_SWIG_WRAPPERS) if(CMAKE_SIZEOF_VOID_P MATCHES 4) ADD_DEFINITIONS("-DRDK_32BIT_BUILD") else() ADD_DEFINITIONS("-DRDK_64BIT_BUILD") endif() # defines macros: rdkit_python_extension, rdkit_test include(RDKitUtils) install(EXPORT ${RDKit_EXPORTED_TARGETS} DESTINATION ${RDKit_LibDir}) # create and install package configuration and version files configure_file ( ${RDKit_SOURCE_DIR}/rdkit-config.cmake.in ${RDKit_BINARY_DIR}/rdkit-config.cmake @ONLY) configure_file ( ${RDKit_SOURCE_DIR}/rdkit-config-version.cmake.in ${RDKit_BINARY_DIR}/rdkit-config-version.cmake @ONLY) install(FILES ${RDKit_BINARY_DIR}/rdkit-config.cmake ${RDKit_BINARY_DIR}/rdkit-config-version.cmake DESTINATION ${RDKit_LibDir}) # extra boost versions if(MSVC) SET(Boost_ADDITIONAL_VERSIONS "1.48""1.48.0" "1.45" "1.45.0" "1.44" "1.44.0" "1.43" "1.43.0" "1.42" "1.42.0" "1.41" "1.41.0" "1.40" "1.40.0") endif(MSVC) if(RDK_BUILD_PYTHON_WRAPPERS) #------- # pull in python: find_package(PythonLibs) if(CMAKE_MAJOR_VERSION EQUAL 2 AND CMAKE_MINOR_VERSION EQUAL 6) include_directories(${PYTHON_INCLUDE_PATH}) else(CMAKE_MAJOR_VERSION EQUAL 2 AND CMAKE_MINOR_VERSION EQUAL 6) include_directories(${PYTHON_INCLUDE_DIR}) endif(CMAKE_MAJOR_VERSION EQUAL 2 AND CMAKE_MINOR_VERSION EQUAL 6) link_directories(${PYTHON_LIBRARIES}) find_package(NumPy REQUIRED) include_directories(${PYTHON_NUMPY_INCLUDE_PATH}) find_package(Boost 1.39.0 COMPONENTS python REQUIRED) if(RDK_INSTALL_INTREE) set(RDKit_PythonDir "${CMAKE_SOURCE_DIR}/rdkit") else(RDK_INSTALL_INTREE) # Determine correct installation directory for Python bindings # From http://plplot.svn.sourceforge.net/viewvc/plplot/trunk/cmake/modules/python.cmake?revision=11014 execute_process( COMMAND ${PYTHON_EXECUTABLE} -c "from distutils import sysconfig; print sysconfig.get_python_lib(1,0,prefix='${CMAKE_INSTALL_PREFIX}')" OUTPUT_VARIABLE PYTHON_INSTDIR OUTPUT_STRIP_TRAILING_WHITESPACE ) message("Python Install directory ${PYTHON_INSTDIR}") install(DIRECTORY rdkit DESTINATION ${PYTHON_INSTDIR} COMPONENT python PATTERN ".svn" EXCLUDE PATTERN "test_data" EXCLUDE PATTERN "testData" EXCLUDE PATTERN "test_list*" EXCLUDE PATTERN "CMake*" EXCLUDE PATTERN "Basement" EXCLUDE PATTERN "UnitTest*" EXCLUDE ) set(RDKit_PythonDir "${PYTHON_INSTDIR}/rdkit") endif(RDK_INSTALL_INTREE) else(RDK_BUILD_PYTHON_WRAPPERS) find_package(Boost 1.39.0 REQUIRED) endif(RDK_BUILD_PYTHON_WRAPPERS) include_directories(${Boost_INCLUDE_DIRS}) link_directories(${Boost_LIBRARY_DIRS}) include_directories(${RDKit_CodeDir}) # Detect clang, which masquerades as gcc. CMake 2.6 doesn't know how to # detect it. string(REGEX MATCH "clang" CMAKE_COMPILER_IS_CLANG "${CMAKE_C_COMPILER}") if(RDK_TEST_MULTITHREADED) ADD_DEFINITIONS("-DRDK_TEST_MULTITHREADED") find_package(Boost 1.39.0 COMPONENTS thread REQUIRED) else() set(Boost_THREAD_LIBRARY ) endif() # setup our compiler flags: if(CMAKE_COMPILER_IS_GNUCXX) ADD_DEFINITIONS("-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC") endif() if(CMAKE_COMPILER_IS_CLANG) ADD_DEFINITIONS("-Wno-array-bounds -fPIC") endif() if(NOT RDK_INSTALL_INTREE) install(DIRECTORY Data DESTINATION ${RDKit_ShareDir} COMPONENT data PATTERN ".svn" EXCLUDE ) install(DIRECTORY Docs DESTINATION ${RDKit_ShareDir} COMPONENT docs PATTERN ".svn" EXCLUDE ) install(DIRECTORY Contrib DESTINATION ${RDKit_ShareDir} COMPONENT extras PATTERN ".svn" EXCLUDE ) if(RDK_BUILD_PYTHON_WRAPPERS) install(DIRECTORY Projects DESTINATION ${RDKit_ShareDir} COMPONENT extras PATTERN ".svn" EXCLUDE PATTERN "test_list*" EXCLUDE PATTERN "CMake*" EXCLUDE ) endif(RDK_BUILD_PYTHON_WRAPPERS) install(FILES README license.txt DESTINATION ${RDKit_ShareDir} COMPONENT base ) endif(NOT RDK_INSTALL_INTREE) add_subdirectory(External) add_subdirectory(Code) if(RDK_BUILD_PYTHON_WRAPPERS) add_subdirectory(Projects) add_subdirectory(rdkit) endif(RDK_BUILD_PYTHON_WRAPPERS) # Packaging SET(CPACK_GENERATOR "TGZ;DEB;RPM") SET(CPACK_RPM_COMPONENT_INSTALL ON) SET(CPACK_DEB_COMPONENT_INSTALL ON) SET(CPACK_MONOLITHIC_INSTALL OFF) SET(CPACK_COMPONENTS_ALL headers static_libs dynamic_libs python data docs extras base) set(CPACK_COMPONENT_DYNAMIC_LIBS_GROUP "Runtime") set(CPACK_COMPONENT_BASE_GROUP "Runtime") set(CPACK_COMPONENT_DATA_GROUP "Runtime") set(CPACK_COMPONENT_DOCS_GROUP "Runtime") set(CPACK_COMPONENT_HEADERS_GROUP "Development") set(CPACK_COMPONENT_STATIC_LIBS_GROUP "Development") set(CPACK_COMPONENT_PYTHON_GROUP "Python") set(CPACK_COMPONENT_EXTRAS_GROUP "Extras") SET(CPACK_PACKAGE_DESCRIPTION_SUMMARY "RDKit") SET(CPACK_PACKAGE_VENDOR "rdkit.org") SET(CPACK_PACKAGE_CONTACT "greg.landrum@gmail.com") SET(CPACK_PACKAGE_DESCRIPTION_FILE "${CMAKE_CURRENT_SOURCE_DIR}/README") SET(CPACK_RESOURCE_FILE_LICENSE "${CMAKE_CURRENT_SOURCE_DIR}/license.txt") SET(CPACK_PACKAGE_VERSION_MAJOR "2011") SET(CPACK_PACKAGE_VERSION_MINOR "6") SET(CPACK_PACKAGE_VERSION_PATCH "1") SET(CPACK_PACKAGE_INSTALL_DIRECTORY "CMake ${CMake_VERSION_MAJOR}.${CMake_VERSION_MINOR}") #IF(WIN32 AND NOT UNIX) # # There is a bug in NSI that does not handle full unix paths properly. Make # # sure there is at least one set of four (4) backlasshes. # SET(CPACK_PACKAGE_ICON "${CMake_SOURCE_DIR}/Utilities/Release\\\\InstallIcon.bmp") # SET(CPACK_NSIS_INSTALLED_ICON_NAME "bin\\\\MyExecutable.exe") # SET(CPACK_NSIS_DISPLAY_NAME "${CPACK_PACKAGE_INSTALL_DIRECTORY} My Famous Project") # SET(CPACK_NSIS_HELP_LINK "http:\\\\\\\\www.my-project-home-page.org") # SET(CPACK_NSIS_URL_INFO_ABOUT "http:\\\\\\\\www.my-personal-home-page.com") # SET(CPACK_NSIS_CONTACT "me@my-personal-home-page.com") # SET(CPACK_NSIS_MODIFY_PATH ON) #ELSE(WIN32 AND NOT UNIX) # SET(CPACK_STRIP_FILES "bin/MyExecutable") # SET(CPACK_SOURCE_STRIP_FILES "") #ENDIF(WIN32 AND NOT UNIX) #SET(CPACK_PACKAGE_EXECUTABLES "MyExecutable" "My Executable") SET(CPACK_SET_DESTDIR ON) INCLUDE(CPack)