Hi, I am working on for this for the next Chembience release (0.3.0 which I hope will be out in January). It adds RDKit to the official Postgres container repository at https://hub.docker.com/_/postgres
If you checkout https://github.com/chembience/chembience-postgresql-rdkit.git *and use branch deploy*, it should be in working conditions (images should be available from Docker hub). It can be used by the provided docker-compose.yml script in the repository, i.e. it can be started with *docker-compose up* I will add more documentation and some improvements for the January release :-). And it currently works only for Postgres 11. Best, Markus https://chembience.com On Wed, Dec 4, 2019 at 7:38 PM Webster Homer < webster.ho...@milliporesigma.com> wrote: > I’m looking at running RD Kit Postgresql cartridge in a docker container. > Has anyone done this? There are PostgreSQL containers available on line at > https://hub.docker.com/_/postgres if there is an existing dockerfile > with the RDKit extension, that would be great. > > > > If not has anyone built one? Ideally I’d start from one of the existing > dockerfiles. > > > > RDKit Postgresql in the current distribution is version 11.2, the > dockerfiles on the hub include an 11 and an 11.6 version. Any idea as to > which one to use? > > > > I’m new to dockerfiles, I’d appreciate any suggestions > > > > Regards, > > Webster Homer > This message and any attachment are confidential and may be privileged or > otherwise protected from disclosure. If you are not the intended recipient, > you must not copy this message or attachment or disclose the contents to > any other person. If you have received this transmission in error, please > notify the sender immediately and delete the message and any attachment > from your system. Merck KGaA, Darmstadt, Germany and any of its > subsidiaries do not accept liability for any omissions or errors in this > message which may arise as a result of E-Mail-transmission or for damages > resulting from any unauthorized changes of the content of this message and > any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its > subsidiaries do not guarantee that this message is free of viruses and does > not accept liability for any damages caused by any virus transmitted > therewith. Click http://www.merckgroup.com/disclaimer to access the > German, French, Spanish and Portuguese versions of this disclaimer. > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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