Dear RDKiters,
I would like to compile RDKit from source on a macOS 10.15 computer with gnu
c/c++ compilers and a newer version of boost (1.72.0) instead of 1.56.0.
I run cmake with the following setting:
cmake -D
PYTHON_LIBRARY=/usr/local/Cellar/python/3.7.5/Frameworks/Python.framework/Versions/3.7/lib/
-D
PYTHON_INCLUDE_DIR=/usr/local/Cellar/python/3.7.5/Frameworks/Python.framework/Versions/3.7/include/python3.7m/
-D
PYTHON_EXECUTABLE=/usr/local/Cellar/python/3.7.5/Frameworks/Python.framework/Versions/3.7/bin/python3
-D BOOST_ROOT=/usr/local/Cellar/boost/1.72.0/
-D BOOST_NO_SYSTEM_PATHS=ON
-D CMAKE_C_COMPILER=/usr/local/bin/gcc
-D CMAKE_CXX_COMPILER=/usr/local/bin/g++ ..
This ends up throwing me loads of errors but it starts like this:
CATCH:
/Users/all/data/rdkit-Release_2019_09_3/External/catch/catch/single_include
-- Found PythonInterp:
/usr/local/Cellar/python/3.7.5/Frameworks/Python.framework/Versions/3.7/bin/python3
(found version "3.7.5")
-- Found PythonLibs:
/usr/local/Cellar/python/3.7.5/Frameworks/Python.framework/Versions/3.7/lib
(found version "3.7.5")
-- Boost 1.56.0 found.
-- Found Boost components:
python3
PYTHON Py_ENABLE_SHARED: 0
PYTHON USING LINK LINE: -bundle -undefined dynamic_lookup -isysroot
/Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX10.15.sdk
-- Found Eigen3: /usr/local/include/eigen3 (Required is at least version
"2.91.0")
-- Looking for pthread.h
-- Looking for pthread.h - found
-- Looking for pthread_create
-- Looking for pthread_create - found
-- Found Threads: TRUE
CMake Warning at
/usr/local/lib/cmake/boost_serialization-1.72.0/libboost_serialization-variant-shared.cmake:64
(message):
Target Boost::serialization already has an imported location
'/usr/local/lib/libboost_serialization-mt.dylib', which will be overwritten
with '/usr/local/lib/libboost_serialization.dylib'
Call Stack (most recent call first):
/usr/local/lib/cmake/boost_serialization-1.72.0/boost_serialization-config.cmake:57
(include)
/usr/local/lib/cmake/Boost-1.72.0/BoostConfig.cmake:120 (find_package)
/usr/local/lib/cmake/Boost-1.72.0/BoostConfig.cmake:185 (boost_find_component)
/usr/local/Cellar/cmake/3.13.2/share/cmake/Modules/FindBoost.cmake:264
(find_package)
CMakeLists.txt:361 (find_package)
It does not seem to use the specified boost libs of version 1.72.0 but it uses
the 1.56.0. After this there are more error messages thrown which are of the
type:
CMake Error at Code/cmake/Modules/RDKitUtils.cmake:55 (add_library):
Target "MolStandardize_static" links to target "Boost::iostreams" but the
target was not found. Perhaps a find_package() call is missing for an
IMPORTED target, or an ALIAS target is missing?
Call Stack (most recent call first):
Code/GraphMol/MolStandardize/CMakeLists.txt:4 (rdkit_library)
and then it says that the following cmake option was not used:
-- Generating done
CMake Warning:
Manually-specified variables were not used by the project:
BOOST_NO_SYSTEM_PATHS
What are the correct settings for cmake to be able to use a newer version of
BOOST and PYTHON3?
Thanks,
Zoltan
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