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.