WorkshopMDMLEdinburgh2022

WorkshopMDMLEdinburgh2022 copied to clipboard

RISE is currently the one thing that is hindering being able to upgrade to py3.12 here. It may be worth either a) reviewing if RISE is still adequate, b) if...

IAlibay

Try to update CI to cover all the way to py3.12

2

IAlibay

nglview failing on CI

1

We're getting CI failures due to this: https://github.com/nglviewer/nglview/issues/1032 I think a fix is in the works? For now we can probably pin ipywidgets temporarily? I'd prefer wait if we don't...

IAlibay

Todo list for readying the repository for submission to [JOSE](https://openjournals.readthedocs.io/en/jose/submitting.html) 1. Create `paper.md` file containing the following: - [ ] List of authors and affiliations - [ ] Eligibility for...

micaela-matta

Collapsing of title hides exercises in Colab

2

See here: https://colab.research.google.com/github/MDAnalysis/WorkshopMDMLEdinburgh2022/blob/main/MD/MD_01_System_Manipulation.ipynb The title orders need to be fixed in order to avoid collapsing the question into the header for the previous sub-exercise's title.

IAlibay

As per title.

IAlibay

Typo in the question that should be within "alpha carbon"

IAlibay