Hi Alfredo,
I have previously used this dockerfile;
https://github.com/rdkit/rdkit_containers/blob/master/docker/ubuntu_xenial/Dockerfile
to build the RDKit with the Ubuntu-supplied python3 on Ubuntu 16.04.
Even if you aren't using docker, it shows which packages need to be
installed and how to invoke cmake in order to get a working build.
And, yes, you need a version of the boost-python library that matches the
version of python you are using.
I hope this helps,
-greg
On Mon, Jul 23, 2018 at 7:43 PM Alfredo Quevedo <[email protected]>
wrote:
> Dear all,
>
> I am trying to build RDKit from source under Ubuntu 16.04, on which I
> have both Python2.7 and Python3.5.2 installed. Followin the instructions
> provided in the RDKit book document I was able to build the module for
> the default Python version (2.7) and the 'import rdkit' command is ok.
> If I start Python3, and want to load the RDKit module I get:
>
> Traceback (most recent call last):
> File "<stdin>", line 1, in <module>
> File "/home/fredy/Programas/RDkit/rdkit-master/rdkit/__init__.py",
> line 2, in <module>
> from .rdBase import rdkitVersion as __version__
> ImportError: dynamic module does not define module export function
> (PyInit_rdBase)
>
>
> I believe that I need to build RDKit configuring Python3 as the default
> interpreter? I read in the book that I need to indicate cmake the
> information related to the Python version I need to use, so I executed:
>
> cmake -D
> PYTHON_LIBRARY=/usr/lib/python3.5/config-3.5m-x86_64-linux-gnu/
> libpython3.5.so
> -D PYTHON_INCLUDE=/usr/include/python3.5m -D
> PYTHON_EXECUTABLE=/usr/bin/python3.5 ..
>
> I typed 'make'
>
> but after I while (36%) I am getting the following error:
>
>
> [ 36%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o
> In file included from /usr/include/boost/python/detail/prefix.hpp:13:0,
> from /usr/include/boost/python/args.hpp:8,
> from /usr/include/boost/python.hpp:11,
> from
> /home/fredy/Programas/RDkit/rdkit-master/Code/RDBoost/Wrap.h:20,
> from
> /home/fredy/Programas/RDkit/rdkit-master/Code/RDBoost/Wrap.cpp:15:
> /usr/include/boost/python/detail/wrap_python.hpp:50:23: fatal error:
> pyconfig.h: No such file or directory
> compilation terminated.
> Code/RDBoost/CMakeFiles/RDBoost.dir/build.make:62: recipe for target
> 'Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o' failed
> make[2]: *** [Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o] Error 1
> CMakeFiles/Makefile2:1124: recipe for target
> 'Code/RDBoost/CMakeFiles/RDBoost.dir/all' failed
> make[1]: *** [Code/RDBoost/CMakeFiles/RDBoost.dir/all] Error 2
> Makefile:162: recipe for target 'all' failed
> make: *** [all] Error 2
>
> Do I need to install a Boost package specifically for each Python version?
>
> thank you very much in advance for the help,
>
> regards
>
> Alfredo
>
>
>
>
>
>
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