Thanks, Greg!
Installation is okay now but ctest ends with these 2 failed :
118 - pyGraphMolWrap (Failed)
136 - pythonTestDirChem (Failed)
Any idea?
2018-05-16 15:08 GMT+02:00 Greg Landrum <greg.land...@gmail.com>:
> Yeah, the dockerfile that I pointed you to installs the ubuntu version of
> boost. That is what ends up being used to build the RDKit.
> You have a copy of boost 1.67 installed; this is too new for the version
> of cmake you have (and has additional problems anyway); the system boost
> solves this problem.
>
> On Wed, May 16, 2018 at 3:03 PM alb greg <agparis7dide...@gmail.com>
> wrote:
>
>> The system boost? You're talking about libboost?
>>
>>
>>
>> 2018-05-16 14:54 GMT+02:00 Greg Landrum <greg.land...@gmail.com>:
>>
>>> cmake is finding boost v1.67, not the system boost.
>>>
>>>
>>> On Wed, May 16, 2018 at 2:34 PM alb greg <agparis7dide...@gmail.com>
>>> wrote:
>>>
>>>> Ubuntu 16.04
>>>>
>>>> *CmakeMessages :*
>>>>
>>>> -- The C compiler identification is GNU 5.4.0
>>>> -- The CXX compiler identification is GNU 5.4.0
>>>> -- Check for working C compiler: /usr/bin/cc
>>>> -- Check for working C compiler: /usr/bin/cc -- works
>>>> -- Detecting C compiler ABI info
>>>> -- Detecting C compiler ABI info - done
>>>> -- Detecting C compile features
>>>> -- Detecting C compile features - done
>>>> -- Check for working CXX compiler: /usr/bin/c++
>>>> -- Check for working CXX compiler: /usr/bin/c++ -- works
>>>> -- Detecting CXX compiler ABI info
>>>> -- Detecting CXX compiler ABI info - done
>>>> -- Detecting CXX compile features
>>>> -- Detecting CXX compile features - done
>>>> -- Check if the system is big endian
>>>> -- Searching 16 bit integer
>>>> -- Looking for sys/types.h
>>>> -- Looking for sys/types.h - found
>>>> -- Looking for stdint.h
>>>> -- Looking for stdint.h - found
>>>> -- Looking for stddef.h
>>>> -- Looking for stddef.h - found
>>>> -- Check size of unsigned short
>>>> -- Check size of unsigned short - done
>>>> -- Using unsigned short
>>>> -- Check if the system is big endian - little endian
>>>> -- Found PythonInterp: /usr/bin/python3 (found version "3.5.2")
>>>> -- Found PythonLibs: /usr/lib/x86_64-linux-gnu/libpython3.5m.so (found
>>>> version "3.5.2")
>>>> -- Found Eigen3: /usr/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 - not found
>>>> -- Looking for pthread_create in pthreads
>>>> -- Looking for pthread_create in pthreads - not found
>>>> -- Looking for pthread_create in pthread
>>>> -- Looking for pthread_create in pthread - found
>>>> -- Found Threads: TRUE
>>>> -- Boost version: 1.67.0
>>>> -- Found the following Boost libraries:
>>>> -- serialization
>>>> == Done updating pains files
>>>> -- Configuring done
>>>> -- Generating done
>>>> -- Build files have been written to: /home/user/src/rdkit/rdkit/build
>>>>
>>>> *CmakeErrors :*
>>>>
>>>> CMake Warning at /usr/share/cmake-3.5/Modules/FindBoost.cmake:725
>>>> (message):
>>>> Imported targets not available for Boost version 106700
>>>> Call Stack (most recent call first):
>>>> /usr/share/cmake-3.5/Modules/FindBoost.cmake:763 (_Boost_COMPONENT_
>>>> DEPENDENCIES)
>>>> /usr/share/cmake-3.5/Modules/FindBoost.cmake:1332
>>>> (_Boost_MISSING_DEPENDENCIES)
>>>> CMakeLists.txt:194 (find_package)
>>>>
>>>>
>>>> CMake Warning at /usr/share/cmake-3.5/Modules/FindBoost.cmake:725
>>>> (message):
>>>> Imported targets not available for Boost version 106700
>>>> Call Stack (most recent call first):
>>>> /usr/share/cmake-3.5/Modules/FindBoost.cmake:763 (_Boost_COMPONENT_
>>>> DEPENDENCIES)
>>>> /usr/share/cmake-3.5/Modules/FindBoost.cmake:1332
>>>> (_Boost_MISSING_DEPENDENCIES)
>>>> CMakeLists.txt:194 (find_package)
>>>>
>>>>
>>>> PYTHON Py_ENABLE_SHARED: 1
>>>> PYTHON USING LINK LINE: -pthread -shared -Wl,-O1
>>>> -Wl,-Bsymbolic-functions -Wl,-Bsymbolic-functions -Wl,-z,relro
>>>> CMake Warning at /usr/share/cmake-3.5/Modules/FindBoost.cmake:725
>>>> (message):
>>>> Imported targets not available for Boost version 106700
>>>> Call Stack (most recent call first):
>>>> /usr/share/cmake-3.5/Modules/FindBoost.cmake:763 (_Boost_COMPONENT_
>>>> DEPENDENCIES)
>>>> /usr/share/cmake-3.5/Modules/FindBoost.cmake:1332
>>>> (_Boost_MISSING_DEPENDENCIES)
>>>> CMakeLists.txt:303 (find_package)
>>>>
>>>>
>>>> == Using strict rotor definition
>>>> -- Found MAEParser source in /home/labbe/src/rdkit/rdkit/
>>>> External/CoordGen/maeparser
>>>> -- Found coordgenlibs source in /home/labbe/src/rdkit/rdkit/
>>>> External/CoordGen/coordgenlibs
>>>> == Updating Filters.cpp from pains file
>>>> -- Found RapidJSON source in /home/labbe/src/rdkit/rdkit/External
>>>>
>>>>
>>>>
>>>>
>>>>
>>>> 2018-05-16 13:05 GMT+02:00 Greg Landrum <greg.land...@gmail.com>:
>>>>
>>>>> On Wed, May 16, 2018 at 12:53 PM alb greg <agparis7dide...@gmail.com>
>>>>> wrote:
>>>>>
>>>>>> I followed the instructions in this dockerfile but it failed with an
>>>>>> error 2 during "make -j3 .. install" command.
>>>>>>
>>>>>>
>>>>> In order to be able to help I need a bit more information than that.
>>>>> What was the error you encountered? What version of Ubuntu? etc.
>>>>>
>>>>> -greg
>>>>>
>>>>
>>>>
>>
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