Refactor main scripts into CLI

mariohm1311 / Dalton

Molecular Dynamics in Python

GNU General Public License v3.0

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Refactor main scripts into CLI #1

Open mariohm1311 opened 6 years ago

mariohm1311 commented 6 years ago

The main scripts for user interaction currently imitate a CLI, but their expandability is limited (they were meant to be placeholders). A refactor using a proper CLI library is needed.

Scripts referenced: ana.py md.py mc.py opt.py

Expected input using new CLI: dalton.py -[mm/md/ana/opt] [cfg_file_location]

Suggested CLI library: Click.

kylesalk commented 6 years ago

I can hop on this one. I'll probably write using argparse since it is in the standard library

drowolath commented 6 years ago

Can I also try that one, but using Click ?