Hi David,

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.

I tried to run "SELECT mol_inchi('CC'::mol)" on Debian-provided postgresql server with postgresql-17-rdkit 202309.3-7, but it failed with the following message:

ERROR:  type "mol" does not exist
LINE 1: SELECT mol_inchi('CC'::mol)
                               ^

Which seems worse than you get. Not sure the rdkit postgresql cartridge is even loaded in my case.

Best wishes,
Andrius

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