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,
Christos
Christos Kannas
Chem[o]informatics Researcher & Software Developer
Mob (UK): +44 (0) 7447700937
Mob (Cyprus): +357 99530608
[image: View Christos Kannas's profile on LinkedIn]
<http://cy.linkedin.com/in/christoskannas>
On Thu, 3 May 2018 at 09:47, Paolo Tosco <[email protected]> wrote:
> 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
>
> [image: 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]>
> 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]> 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
>>
>> [image: View Christos Kannas's profile on LinkedIn]
>> <http://cy.linkedin.com/in/christoskannas>
>>
>>
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