Hi Christos,
you may use an existing PostgreSQL installation, but then you will need
to build the cartridge from source. You may rebuild the conda RDKit
cartridge against your system PostgreSQL - I have done it on Linux and I
think it should be doable on macOS too. I'll give it a go tonight and
get back to you.
Cheers,
Paolo
On 05/03/18 08:16, Christos Kannas wrote:
Hi Paolo,
Will do, thanks!
I was playing with it yesterday and I managed to have it in a working
manner.
I'm going through the ChEMBL example.
Questions:
1. The conda recipe for rdkit-postgresql95 works only with
PostgreSQL 9.5 and rdkit_2017.09.03, given that those are in the
conda environment. If I need to connect it to an existing
PostgreSQL installation I will have to build RDKit and the
cartridge from source don't I?
2. Will the cartridge work in the latest RDKit 2018 version, if I
build it from the source?
Best,
Christos
Christos Kannas
Chem[o]informatics Researcher & Software Developer
Mob (UK): +44 (0) 7447700937
Mob (Cyprus): +357 99530608
View Christos Kannas's profile on LinkedIn
<http://cy.linkedin.com/in/christoskannas>
On Thu, 3 May 2018 at 08:05, Paolo Tosco <[email protected]
<mailto:[email protected]>> wrote:
Hi Christos,
It was definitely possible last time I tried, but it was some time
ago.
Give it a try and get back to me directly (i.e., off-list) if you
have problems.
Cheers,
p.
On 1 May 2018, at 16:31, Christos Kannas <[email protected]
<mailto:[email protected]>> wrote:
Hi RDKiters,
Is it possible to install RDKit PostgreSQL cartridge via Anaconda
on MacOS?
Or would be better to try with a Linux VM?
Best,
Christos
Christos Kannas
Chem[o]informatics Researcher & Software Developer
Mob (UK): +44 (0) 7447700937
Mob (Cyprus): +357 99530608
View Christos Kannas's profile on LinkedIn
<http://cy.linkedin.com/in/christoskannas>
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org <http://Slashdot.org>!
http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
[email protected]
<mailto:[email protected]>
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
