[Debichem-devel] Bug#1077055: Bug#1077055: postgresql-16-rdkit: inchi support not included in rdkit build

[Andrius Merkys]

Control: tags -1 + moreinfo

Hi David,

On Thu, 25 Jul 2024 12:05:55 -0500 David Lounsbrough 
<david.lounsbrough at gmail.com> wrote:
> To reproduce, I simply ran this Dockerfile:
> 
> 
> 
> FROM postgres:16 AS postgres-env
> 
> RUN apt-get update && \
> 
> apt-get install -yq postgresql-16-rdkit && \
> 
> apt-get clean
> 
> 
> 
> Then when I try to build an inchi, rdkit give me an error saying inchi is
> not available.
> 
> Example: `SELECT mol_inchi('CC'::mol)`  --> `InChI not available`

rdkit >= 202309.3-5 is now built with InChI support. Can you check if it 
works for you? Alternatively, could you please list precise command line 
instructions that you have issued? I do not use PostgreSQL that much.

Best wishes,
Andrius