Re: [Rdkit-devel] Install RDKit

[Riccardo V. <ric...@gm...>]

Hi Soren,

until recently, boost packages were not provided by the anaconda
distribution, and this is basically the reason we provide recipes to build
boost too. When a few weeks ago boost packages targeting version 1.57.0
have been added to the conda default channels (for linux and windows at
least, I couldn't find any boost package in the osx repository last time I
checked), they caused some confusion because the rdkit recipe doesn't
specify a version for the boost package, and version 1.57.0 is by default
installed because it's more recent than the version we build locally.

When executed, the boost recipe from the rdkit github repository should
have built boost 1.56.0 (you could probably find the package in the local
channel at ./Programme/anaconda/conda-bld/linux-64), but the rdkit build
probably used boost version 1.57.0 (based on the info from your last
message it most likely did so when testing the rdkit package and in
istalling it into envs/rdkit-env). I tried building the rdkit with the
boost package provided by anaconda in a couple of linux environments and it
worked ok for me, so in principle I think it could work for you too.

But I have no explanation for the reference to boost 1.54.0. Is there any
boost package matching that version and installed as part of the system
linux distribution?

Best,
Riccardo



On Fri, Jan 30, 2015 at 12:09 AM, Soren Wacker <sw...@uc...> wrote:

> I tried that. I was able to compile rdkit, apparently just by typing
>
> conda build boost
> conda build rdkit
>
> but, when I use that build I get
>
> from rdkit import rdBase
>
> > ImportError: libboost_python.so.1.54.0: cannot open shared object file:
> No such file or directory
>
> strange thing is, that anaconda build 1.57 version... 1.54 does not exist
> on my system.
>
> ./Programme/anaconda/envs/rdkit-env/lib/libboost_python.so
> ./Programme/anaconda/envs/rdkit-env/lib/libboost_python.so.1.57.0
> ./Programme/anaconda/envs/_test/lib/libboost_python.so
> ./Programme/anaconda/envs/_test/lib/libboost_python.so.1.57.0
> ./Programme/anaconda/pkgs/boost-1.57.0-0/lib/libboost_python.so
> ./Programme/anaconda/pkgs/boost-1.57.0-0/lib/libboost_python.so.1.57.0
>
> kind regards
> Soren
>
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