Docker-base app server system for chemoinformatics that includes a
-
nginx web reverse proxy
-
python 3.5 with conda
-
RDKit 2016.3.3 (conda install with postgres and InChI support)
-
postgres 9.5
All apps and databases are each encapsulated into own Docker containers linked by a Docker network and bind automatically to the reverse proxy for outside web access.
Installation:
- install Docker (>=1.11) and docker-compose (>=1.7)
- clone this repository and adapt
webapps/appserver/etc/appserver.env
- run
webapps/appserver/appserver-build
This will build serveral Docker images on your system including RDKit and takes about 30 minutes on a current 4 core system.
- if this is finished run
{$APPSERVER_HOME}/bin/appserver-up
and go to "localhost" in your web browser which should provide you with an nginx error message at the current state of installation
[WORK IN PROGESS ... to be continued, I wait for the first complain]