JaGeo / LobsterPy

Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry

https://jageo.github.io/LobsterPy/

BSD 3-Clause "New" or "Revised" License

74 stars 27 forks source link

Developers installation out of date #295

Closed JaGeo closed 2 months ago

JaGeo commented 2 months ago

The packages in the pyproject.toml do not agree with what we install on the repo. This should be fixed.

naik-aakash commented 2 months ago

Hi @JaGeo, It was flake8, right? Now it everything seems fine. Or any specific package you meant?

JaGeo commented 2 months ago

Can you just document rhe developers installation in the readme?

naik-aakash commented 2 months ago

Hi @JaGeo , Sorry am not sure I understand what you mean. The associated link is already there in the readme for the developers installation here

JaGeo commented 2 months ago

@naik-aakash I think the dev installation should be moved to the installation part of the readme. I feel this is the more natural place. I had actually overlooked the installation link there.

naik-aakash commented 2 months ago

@naik-aakash I think the dev installation should be moved to the installation part of the readme. I feel this is the more natural place. I had actually overlooked the installation link there.

Sure. I will raise a PR with the changes soon

naik-aakash commented 2 months ago

Todo

[x] Make github CI workflow consistent with dev installation (remove redundant pytestify )
[x] Restructure readme (move dev installation section below installation)
[x] pin numpy to numpy==1.26

JaGeo commented 2 months ago

You can pin numpy as well