Re: [Rdkit-discuss] RDKit postgres cartridge building

2018-05-24 Thread Paolo Tosco 

Dear Alfredo,

this file contains pretty comprehensive instructions how to build and 
install the cartridge:


https://github.com/rdkit/rdkit/blob/master/Code/PgSQL/rdkit/README

Please get back to me off-list if you still have issues in getting it to 
work for you.


Cheers,
p.


On 05/24/18 19:57, Alfredo Quevedo wrote:


thank you Markus for the reply,

listing the /user/share/postgresql directory I can see several folder 
apart from 10 (9.2, 9.3, etc),


I uninstalled the current postgres instalation and deleted all the 
folder under ´/user/share/postgresql. Afterwards I reinstalled 
postgres, and only  user/share/postgresql/10 is now present.


Afterwards I recompiled the RDKit souurce with:

cmake -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_AVALON_SUPPORT=ON 
-DRDK_BUILD_CAIRO_SUPPORT=ON ..


Is this enough to automatically build the RDKit postgres package or I 
need some extra building flags (such as DRDK_BUILD_PGSQL=ON)?


regards

Alfredo





El 24/05/2018 a las 15:36, Markus Sitzmann escribió:

Hi Alfredo,

My first guess would be you have another, older Postgres version on 
your computer and you have build against this version. Take a look at 
the /use/share/postgresql directory and take a look if there is 
another directory instead of 10/


Markus

-
|  Markus Sitzmann
| markus.sitzm...@gmail.com 

On 24. May 2018, at 18:24, Alfredo Quevedo > wrote:



Good morning,

I am trying to build RDKit from source, and succeed with that 
following the instructions provided in the documentation. Howvere, I 
am trying to use the postgres cartridge, which as far as I 
understand is built during the main building process.


but after trying to create the extension for a database with:

psql -c  'create extension rdkit'  molecules

I am getting the following error

ERROR:  could not open extension control file 
"/usr/share/postgresql/10/extension/rdkit.control": No such file or 
directory


It seems that the building of the cartridge is not being applyed to 
my local postgres installation?


Any hint is highly appreacited,

thanks in advance



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Re: [Rdkit-discuss] RDKit postgres cartridge building

2018-05-24 Thread Alfredo Quevedo 

thank you Markus for the reply,

listing the /user/share/postgresql directory I can see several folder 
apart from 10 (9.2, 9.3, etc),


I uninstalled the current postgres instalation and deleted all the 
folder under ´/user/share/postgresql. Afterwards I reinstalled postgres, 
and only  user/share/postgresql/10 is now present.


Afterwards I recompiled the RDKit souurce with:

cmake -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_AVALON_SUPPORT=ON 
-DRDK_BUILD_CAIRO_SUPPORT=ON ..


Is this enough to automatically build the RDKit postgres package or I 
need some extra building flags (such as DRDK_BUILD_PGSQL=ON)?


regards

Alfredo





El 24/05/2018 a las 15:36, Markus Sitzmann escribió:

Hi Alfredo,

My first guess would be you have another, older Postgres version on 
your computer and you have build against this version. Take a look at 
the /use/share/postgresql directory and take a look if there is 
another directory instead of 10/


Markus

-
|  Markus Sitzmann
| markus.sitzm...@gmail.com 

On 24. May 2018, at 18:24, Alfredo Quevedo > wrote:



Good morning,

I am trying to build RDKit from source, and succeed with that 
following the instructions provided in the documentation. Howvere, I 
am trying to use the postgres cartridge, which as far as I understand 
is built during the main building process.


but after trying to create the extension for a database with:

psql -c  'create extension rdkit'  molecules

I am getting the following error

ERROR:  could not open extension control file 
"/usr/share/postgresql/10/extension/rdkit.control": No such file or 
directory


It seems that the building of the cartridge is not being applyed to 
my local postgres installation?


Any hint is highly appreacited,

thanks in advance



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Re: [Rdkit-discuss] RDKit postgres cartridge building

2018-05-24 Thread Markus Sitzmann 
Hi Alfredo,

My first guess would be you have another, older Postgres version on your 
computer and you have build against this version. Take a look at the 
/use/share/postgresql directory and take a look if there is another directory 
instead of 10/

Markus

-
|  Markus Sitzmann
|  markus.sitzm...@gmail.com

> On 24. May 2018, at 18:24, Alfredo Quevedo  wrote:
> 
> Good morning,
> 
> I am trying to build RDKit from source, and succeed with that following the 
> instructions provided in the documentation. Howvere, I am trying to use the 
> postgres cartridge, which as far as I understand is built during the main 
> building process.
> 
> but after trying to create the extension for a database with:
> 
> psql -c  'create extension rdkit'  molecules
> 
> I am getting the following error
> 
> ERROR:  could not open extension control file 
> "/usr/share/postgresql/10/extension/rdkit.control": No such file or directory
> 
> It seems that the building of the cartridge is not being applyed to my local 
> postgres installation?
> 
> Any hint is highly appreacited,
> 
> thanks in advance
> 
> 
> 
> --
> 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
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
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[Rdkit-discuss] RDKit postgres cartridge building

2018-05-24 Thread Alfredo Quevedo 

Good morning,

I am trying to build RDKit from source, and succeed with that following 
the instructions provided in the documentation. Howvere, I am trying to 
use the postgres cartridge, which as far as I understand is built during 
the main building process.


but after trying to create the extension for a database with:

psql -c  'create extension rdkit'  molecules

I am getting the following error

ERROR:  could not open extension control file 
"/usr/share/postgresql/10/extension/rdkit.control": No such file or 
directory


It seems that the building of the cartridge is not being applyed to my 
local postgres installation?


Any hint is highly appreacited,

thanks in advance



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