This template is forked from the official pyiron template and adapted for my own research projects.
In particular, it is assumed that there is custom .py
code that should have unit tests.
- Create a new project with this template.
- Update the
environment.yml
to the basic resources you will need. - Refactor --> Rename
pyiron_src
to something sensible for your project. - Update
example.ipynb
to run something simple using your new pyiron library. - Develop and science your heart out.
- Everything in the
projects
folder is gitignored, so put your projects there - The notebook
scratch.ipynb
is also ignored - Be mindful about the volume of data (e.g. calculation results) you push and pull.
- Everything in the
- Document your process using LaTeX in the
writeup
directory- Update the
boilerplate
andauthors
to suite your needs.- Note that the title is stored in the boiler plate!
- Consider using the
supplementary
directory to track your work as you do it, so you don't need to go back and figure things out. - TODO: Use
pylatex
to automatically scrape data to minimize human error.
- Update the
Is not yet working for me at all. I left these parts as-is from the orginal template.
Worked when I went to the GitHub settings and created the book there. Nonetheless, I haven't changed anything here relative to the official tempalte.
E.g. how to import existing data? Go look at the README for the official template.
pyiron, the pyiron publication template, and this fork of it are all licensed under the BSD-3-Clause license which is included in the LICENSE
file.
In addition an CODE_OF_CONDUCT.md
file is included to foster an open and welcoming environment.