Hi Kapil,
I was able to reproduce the problem, I'm having the impression that this
might be a regression due to changes implemented in conda 4.0+. I couldn't
find a way to use 'conda update' to upgrade the initial configuration to
the latest rdkit package, so - as a shortest term solution - I would
suggest reinstalling the environment from scratch. You should be able to
remove the existing environment with something like
> deactivate my-rdkit-env
> conda remove -n my-rdkit-env --all
and then create it again, but this time specifying the desired rdkit
version:
>conda create -n my-rdkit-env -c rdkit rdkit=2015.*
this should select rdkit 2015.09.2, numpy 1.10 and boost 1.56
I hope that helps, ​please let me know if the problems persist,
Best,
Riccardo
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