Re: [Rdkit-discuss] RDKit PostgreSQL

Hi Paolo, Thanks, I forgot to mention that I got it working on a linux box that I use as dev machine. Eventually I plan to deploy it on a Linux server. When I'll have to build the RDKit cartridge, will I have to just build the cartridge or I'll have to rebuild RDKit and the cartridge? Best,

Re: [Rdkit-discuss] RDKit PostgreSQL

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

Re: [Rdkit-discuss] RDKit PostgreSQL

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

Re: [Rdkit-discuss] RDKit PostgreSQL

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 wrote: > > Hi RDKiters, > > Is it possible to

[Rdkit-discuss] RDKit PostgreSQL

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 [image: View

Re: [Rdkit-discuss] rdkit-postgresql cartridge not included in repository install?

Larson, As long as the environment you launch your web application from is using conda, I think you should be able to use the version of postgresql that conda installs. Depending on how your environment is set up, you will have to be sure that you start the conda postgresql as part of launching

Re: [Rdkit-discuss] rdkit-postgresql cartridge not included in repository install?

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

[Rdkit-discuss] rdkit-postgresql cartridge not included in repository install?

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 thread. The gist of the problem

[Rdkit-discuss] RDKit + Postgresql cartridge + Django ?

Dear fellow RDKitters, my GoogleFu is failing me. Does someone know a current example for using RDKit together with the Postgresql cartridge and Django? Many thanks in advance. Kind regards, Axel -- Dive into the

Re: [Rdkit-discuss] RDKit + Postgresql cartridge + Django ?

Hi Alex, Yes, we have :) Please read this blog post: http://chembl.blogspot.co.uk/2014/10/django-model-describing-chembl-database.html and check myChembl for working example: http://chembl.blogspot.co.uk/2014/10/mychembl-19-released.html Cheers, Michał On Mon, Feb 9, 2015 at 11:19 AM, Pahl,

Re: [Rdkit-discuss] RDKit + Postgresql cartridge + Django ?

Hi Michal, exactly what I was looking for, I don't know how I could have missed that, Many thanks, Axel On 09.02.2015 12:26, Michał Nowotka wrote: Hi Alex, Yes, we have :) Please read this blog post: http://chembl.blogspot.co.uk/2014/10/django-model-describing-chembl-database.html and

Re: [Rdkit-discuss] RDKit + Postgresql cartridge + Django ?

Axel, I'm glad to hear that. In case of any questions, please let me know or write to myche...@ebi.ac.uk Michał On Mon, Feb 9, 2015 at 11:54 AM, Pahl, Axel axelp...@gmx.de wrote: Hi Michal, exactly what I was looking for, I don't know how I could have missed that, Many thanks, Axel On

Re: [Rdkit-discuss] RDKit / Postgresql installation

On Thu, Apr 5, 2012 at 4:13 PM, Hans De Winter hansdewin...@skynet.be wrote: Did you by any chance forget to do a make install before the make installcheck? No, both make make install ran fine. 'make install' copied the files as follows: /bin/sh

[Rdkit-discuss] RDKit / Postgresql installation

Hi, after struggling for some time to get the postgresql extension to RDKit compiled, I now get another error whilst checking the installation: echo $RDBASE /usr/local/src/RDKit_2011_12_1 cd $RDBASE/Code/PgSQL/rdkit make installcheck

Re: [Rdkit-discuss] RDKit / Postgresql installation

Dear Hans, On Thu, Apr 5, 2012 at 11:59 AM, Hans De Winter hansdewin...@skynet.be wrote: \ after struggling for some time to get the postgresql extension to RDKit compiled, I now get another error whilst checking the installation: snip Inspection of the 

Re: [Rdkit-discuss] RDKit / Postgresql installation

Did you by any chance forget to do a make install before the make installcheck? No, both make make install ran fine. 'make install' copied the files as follows: /bin/sh /usr/lib/postgresql/pgxs/src/makefiles/../../config/install-sh -c -d '/usr/lib/postgresql' /bin/sh