https://github.com/informaticsmatters/rdkit_cartridge
https://github.com/informaticsmatters/rdkit_cartridge
Last synced: about 1 year ago
JSON representation
- Host: GitHub
- URL: https://github.com/informaticsmatters/rdkit_cartridge
- Owner: InformaticsMatters
- License: apache-2.0
- Created: 2015-09-07T11:21:47.000Z (almost 11 years ago)
- Default Branch: master
- Last Pushed: 2017-12-08T21:07:21.000Z (over 8 years ago)
- Last Synced: 2025-01-25T18:43:20.630Z (over 1 year ago)
- Language: CMake
- Size: 12.7 KB
- Stars: 2
- Watchers: 3
- Forks: 3
- Open Issues: 0
-
Metadata Files:
- Readme: Readme.md
- License: LICENSE
Awesome Lists containing this project
README
Dockerfile for building the RDkit PostgreSQL cartridge.
More info on the cartridge can be [found here](http://rdkit.org/docs/Cartridge.html)
To run use something like this:
`docker run -d -p 5432:5432 --name postgresdb `
To install cartridge into your specific database do something like this:
`docker exec -it psql -h localhost -U docker -c 'CREATE EXTENSION rdkit' `
or from within the container:
`psql -h localhost -U docker -c 'CREATE EXTENSION rdkit' `
Note: this is quite a 'fat' disribution as it contains everything needed to build RDKit as well as postgreSQL.
As such its suitable as a general purpose hacking box, but for deployment purposes it would be possible to
create a more lightweight version. I may do this in the future. Let me know if there is demand for this.