shmo-app

SHMO is an interactive program to perform electronic structure calculations within the "Simple Huckel Molecular Orbital" approximations.

More details: https://www.ucalgary.ca/rauk/shmo

Requirements

• OS X
• XQuartz
• Docker

First usage

Run XQuartz Start XQuartz from command line using open -a XQuartz. In the XQuartz preferences, go to the “Security” tab and make sure you’ve got “Allow connections from network clients” ticked:

NOTE: You have to restart the XQuartz application after modifying its preferences

Usage

# allow access from localhost
xhost + 127.0.0.1

# run firefox with X11 forwarding and keep running until it quits
docker run --rm -e DISPLAY=docker.for.mac.localhost:0 fekad/shmo-app