Hi all,
I was able to get the rdkit-postgresql cartridge working in a conda virtual
env after installing everything (rdkit, postgresql, rdkit-postgresql
cartridge) on a linux VM after getting help in this
<https://sourceforge.net/p/rdkit/mailman/message/35428322/> thread.
The gist of the problem I'm trying to solve now is this: get rdkit running
as a server via the postgresql cartridge and call it from a web
application.
To do this, I assume I need to use rdkit and the postgresql cartridge
outside of the conda virtual environment. After installing rdkit from
repository as per the documentation, I proceeded to install postgresql from
apt. Then, I created my database, started it, and attempted to create the
rdkit extension. I was then greeted with a familiar error: "No such file
'rdkit.control'".
My first attempt at a solution was to install the rdkit-postgresql
cartridge from conda. I did so, and moved the relevant (all) files into the
directory in which postgresql was looking for 'rdkit.control' and
'rdkit--3.4.sql' and so on. This was met with failure as there was one
library that I was not able to locate and move (in the conda install,
github, or with apt-file) which was something along the lines of
"libAvalon.so.1".
My question, then, is what is the process for getting the rdkit-postgresql
cartridge up and running outside of a conda virtual environment (in a linux
environment)? And, probably more to the point, is this the best option for
the webserver use case?
Any help here is greatly appreciated.
Thanks all,
Larson Danes
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