pyiron developer tutorial July 2022

This repository is made for the tutorial session on July 26-27.

General agenda (for more info cf. agenda.md)

July 26 (Tuesday) 15:00 - 18:00 (?) on Zoom

• Introduction to pycharm (code editor)
• Presentation of pyiron_base (i.e. general architecture of pyiron)
• Presentation of different classes in pyiron_atomistics (LAMMPS, SPHInX, VASP, Murnaghan etc.)
• Writing workflows

July 27 (Wednesday) 9:00 - 12:00 (?) Hopefully hybrid meeting -> come to CM seminar room

• Workflow on GitHub
• Getting a dev environment setup on the cluster
• Refactoring, i.e. how to write beautiful python codes
• Unit tests & Docstring
• Peer-review of pull requests from the previous day
• Introduction to easy issues
• Discussion