Comments (2)
Great!! Wanted to make sure it was on your radar, but I'm not at all surprised that it was. Thanks for your nice work on this!
from shakenbreak.
Hi Andrew, thanks very much for flagging this!
Yes so there was a co-dependent update for both ShakeNBreak
and doped
(should be the last of these), so we were releasing new versions of them both concurrently, however the test & release workflow for doped
failed due to a breaking change in the version of pymatgen
just released today (2024.3.1
) – something unexpected always crops up when you go to release... 😅
This is fixed now (in doped
v2.3.2
) which has just been released.
from shakenbreak.
Related Issues (18)
- example_notebook_bash_script_typos HOT 1
- CLI Functionality
- Structure I/O Compatibility (CP2K & Quantum Espresso) HOT 2
- Package Development HOT 1
- Package Name HOT 3
- Potential Feature: Minimum Interatomic Distance in Generated Structures HOT 5
- Potential Feature: Distance-dependent Atom Rattling HOT 9
- Folder Structure HOT 5
- Bond-Length-Dependent Rattle `stdev`? HOT 11
- Energies & Forces vs Ionic Step in `SnB`
- `snb-regenerate` dict error HOT 2
- Importing library error HOT 7
- Question about Structure Generation HOT 3
- Missing "Defects_dict" when importing Json from doped HOT 2
- HPS rejects tasks given by snb-run HOT 12
- `snb-run -h` in fresh conda install gives ImportError HOT 2
- Feature request: lift the lower-bound version pin on spglib HOT 1
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from shakenbreak.