Dear Paul,

On Tue, Apr 10, 2012 at 5:55 PM,  <paul.czodrow...@merckgroup.com> wrote:
>
>
> when building RDKit according to the instructions for Linux
> (http://code.google.com/p/rdkit/wiki/BuildingWithCmake), I'm running into
> one problem related to boost:
>
> On pc X (32 bit OpenSuse), the build works perfect!
>
> However, the boost version  on pc x has the version 1.42. We have a
> system-wide boost installation with the version 1.46.
> Therefore, I set LD_LIBRARY_PATH  to the 1.46 boost version.
> Furthermore, I switch on the flag -DBOOST_ROOT (according to the 1.46
> version) when running cmake.
>
>
> cmake now gives the following:
> "
> -- Boost version: 1.46.1
> -- Found the following Boost libraries:
> --   python
> "
>
> So far, so good.
>
> Now, RDKit does the job on pc X. However, when switching to pc Y, (64 bit
> system, 32 boost version 1.46 available) I end up in a
>
> "
> rdkit/Chem/__init__.py", line 18, in <module>
>     from rdkit import rdBase
> ImportError: libboost_python.so.1.42.0: cannot open shared object file: No
> such file or directory
> "
>
>
> This confuses me, since - to my naive understanding - I have told RDKit to
> use the boost 1.46 version.

The error message is telling you that the code has been linked against
boost 1.42. This happens sometimes when either boost or cmake is a bit
overly clever.

If you're using a recent version of cmake (at least 2.8.3), the
easiest way to fix this is to add
"-D Boost_NO_SYSTEM_PATHS=ON"
to your cmake command along with the -D BOOST_ROOT that you are using.
An example command, from the bottom of that wiki page, is:
cmake -D BOOST_ROOT=/usr/local -D Boost_NO_SYSTEM_PATHS=ON ..

Note that it's probably best to start from scratch (remove the
contents of your build directory) before doing this.

Once you have built the code, you can quickly test if that worked by doing:
ldd $RDBASE/rdkit/rdBase.so
Check the output of that and see which version of the boost python
library it's using.

-greg

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