Dear all,
Long time, no type.
I am on Debian 9.4 (stretch) and I want to install RDKit latest and
greatest (2018.03.1 -- as I am after the excellent ETKDGv2), and the
Postgresql cartridge all in python3 (as python2 is for the damned! :-) ).
Reading the install instructions at http://www.rdkit.org/docs/Install.html,
the best way is to use conda (which I am). But when I install conda
install -c rdkit rdkit-postgresql in the rdkit env, my rdkit version gets
thrown back in time and is downgraded to:
rdkit 2016.03.4 np111py35_1 rdkit
(from 2018.03.1).
If I install conda package rdkit-postgresql95, the RDKit package installed
is 2017.09.2.0-hd1c72e7_1 (so stiill no ETKDGv2). Is there a clean conda
solution for this?
If a conda solution is not available, I don't mind installing Postgresql
(10.4), Rdkit (2018.03) manually from source, I usually do this (I'm new to
conda). But the problem then becomes how to tell RDKit to throw its
libraries in the python3.5 system installation ... so import rdkit finds
all the stuff in the py35 installation.
Is there something I am missing? What would you recommend?
Thanks,
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