[Debichem-devel] Bug#1077055:

David Lounsbrough david.lounsbrough at gmail.com
Thu Jul 25 18:05:55 BST 2024


I realized RDK_BUILD_INCHI_SUPPORT is already set in the build script:
https://salsa.debian.org/debichem-team/rdkit/-/blob/master/Scripts/create_deb_packages.sh?ref_type=heads#L9.
Perhaps there is something else then that is causing the issue.

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`

When I use this build then inchi works fine:
https://github.com/rvianello/docker-postgres-rdkit/blob/master/Dockerfile



I'm not sure what is missing in the build, but for some reason inchi
support is not there.
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