The latest cartridge containers for
informaticsmatters/rdkit-cartridge-debian are based on PostgreSQL
version 11.
This can/will change with different RDKit major version builds as the
base Debian packages change and I have little control over this.
I'd like to do this better but building all combinations of Debian *
RDKit * PostgreSQL is not practical so what I go for is based on the
version of Debian that is needed to build the particular version of
RDKit, and use whatever version of PostgreSQL that comes with that
version of Debian.
Normally I use the latest stable version of Debian unless something in
RDKit requires going cutting edge, which is sometimes needed, for
instance because of the cpp and boost changes that happened a couple of
years ago.
Here are more gory details if you suffer from insomnia:
https://github.com/InformaticsMatters/docker-rdkit/blob/master/README.md
Tim
On 16/01/2020 16:34, dmaziuk via Rdkit-discuss wrote:
On 1/16/2020 10:20 AM, Greg Landrum wrote:
It does look like Tim Dudgeon is creating docker images for the RDKit +
cartridge:
https://hub.docker.com/r/informaticsmatters/rdkit-cartridge-debian
Have you looked at those?
In a postgres-only container, changing from postgres 12 to 11 should
be as simple as editing the pgdg repository url -- edit the Dockerfile
and rebuild the container.
Dima
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