Update: Felix Plasser has informed me that the original Sourceforge repo is now updated to support Python 3, so this repo has been archived.
NOTE: I am in no way affiliated with Felix Plasser, the original creator of TheoDORE. Please see the sourceforge link if you want to contact him.
Port of TheoDORE (http://theodore-qc.sourceforge.net/) to Python3
Except for this README, all other documents were taken from the original repository on SourceForge.
Use the setup scripts with the default folder layout, or use the flattened folder where the directory layout is flattened. Simply cd into the flattened directory to use these scripts. When using the flattened directory, no setup is needed.
Mandatory Dependencies: numpy
Optional Dependencies: pylab, matplotlib, openbabel?
Released under the GNU General Public License
- Compile the bin folder into executables and create releases
- Copy SourceForge wiki to Github?
- Check if openbabel is now called babel, fix accordingly
- Remove
readlinedependency in input_options.py - Review files and fix errors created by the
2to3fixer