Tuesday, December 17, 2013

It compiles...

>But, since Postgresql 9.3 just came out, I'll see if I can manage at least to compile pgchem::tigress against 9.3, OpenBabel 2.3.2 and Indigo 1.1.11 before 2013 ends...

Short update: I have merged the two pull requests from Steffen Neumann and Björn Grüning into the repository and then made some minor corrections. LANGUAGE C (case insensitive but without the '') solves the one problem, replacing int4 with int32 the other. Actually this was no gcc issue, but the PostgreSQL guys have apparently decided to remove int4 as an PostgreSQL internal datatype from 9.2 to 9.3.

I had always wondered why there were so many duplicate but internally identical (e.g. int4 (number of bytes) and int32 (number of bits)) datatypes anyway. Probably some legacy...

Also, pgchem_tigress can now be installed as an relocatable extension with the CREATE EXTENSION mechanism. No need to run various installation scripts anymore (but still supported).

I still need to put an 'install' target into the Makefile to fully integrate pgchem_tigress into the extension system. Currently, the shared objects still have to be copied by hand before calling CREATE EXTENSION The PGXS Makefile already takes care of that - there is progress towards a new release.

Thursday, October 24, 2013

Natural vs. Chemical

Last week I attended a very interesting lecture about metabolic pathways.

Maybe it would help all the people who like to make a firm distinction between 'natural products' -> good and 'chemical products' -> bad to attend such a lecture from time to time...

Wednesday, September 18, 2013

Long time no see

Hi all,

the development of pgchem::tigress - and this Blog - have been quiet for some time now.

Professionally, I'm currently moving into two new spheres of activity, document management for product registration (i.e. license to sell) and bioinformatics, and this occupies most of my time. That my wife had to go to the hospital for a few months (nothing life threatening, but quite hindering) didn't help much either. ;->

But, since Postgresql 9.3 just came out, I'll see if I can manage at least to compile pgchem::tigress against 9.3, OpenBabel 2.3.2 and Indigo 1.1.11 before 2013 ends...