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

[Michael Banck]

Hi,

On Tue, Sep 24, 2024 at 05:42:50PM +0200, Michael Banck wrote:
> On Tue, Sep 24, 2024 at 05:22:58PM +0300, Andrius Merkys wrote:
> > On 2024-09-24 17:09, David Lounsbrough wrote:
> > > I ran this inside my Docker container, it says the latest version of the
> > > package is installed:
> > > 
> > > # apt-get -s install postgresql-16-rdkit
> > > Reading package lists... Done
> > > Building dependency tree... Done
> > > Reading state information... Done
> > > postgresql-16-rdkit is already the newest version (202303.3-3.pgdg120+1).
> > > 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
> > 
> > Thanks for the information. This package is provided not by Debian and is
> > not built with InChI support. To have this Dockerfile serving rdkit with
> > InChI support you most likely would have to ask it's providers.
> 
> It's from the apt.postgresql.org repository, and that one is currently
> undergoing the transition to 17, so it might take a while until the
> current Debian revisions (-6/-7) will be available there.

I need to back-track on that - as inchi has been introduced recently,
it is unlikely that apt.postgresql.org will ship rdkit for stable with
inchi.


Michael