Hi Larson,
there are quite comprehensive instructions how to build and test the
rdkit-postgresql cartridge in Code/PgSQL/rdkit/README. There are also
some Windows-specific notes here:
http://www.rdkit.org/docs/Install.html#building-from-the-command-line-recommended
Cheers,
p.
On 03/11/2016 02:47, Larson Danes wrote:
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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