pyiron / pyiron/atomistics

Issues with installation

Open
#217 1 comment 0 reactions 0 assignees View on GitHub

Nobody has claimed this yet.

Dominant language
Jupyter Notebook
Stars
10
Forks
4
Avg merge
12h 31m
Merged PRs (30d)
13

Description

The installation of atomistics package in a clean env caused the following issues:

  • phonopy is not automatically installed
  • structuretoolkit is not installed; and try except block prevents error from being captured

Contributor guide

No contributing guide indexed for this repository

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Reproduce the atomistics installation in a clean environment and inspect its dependency declarations and structuretoolkit import handling. Verify that phonopy and structuretoolkit are installed automatically, and that failures from the structuretoolkit import are reported instead of being suppressed.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook
Domain
build-system
Issue type
Bug
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
42/100

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.