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hackingmaterials / atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.
https://hackingmaterials.github.io/atomate
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Can't pip install due to pymatgen-diffusion version clash #757

Closed rkingsbury closed 2 years ago

rkingsbury commented 2 years ago

After cloning the main branch, pip install -e atomate returns the following error, even though pymatgen-analysis-diffusion==2021.4.29 is installed in the environment.

I have searched the atomate codebase and cannot find any reference to pymatgen-diffusion (all imports have been changed to pymatgen-analysis-diffusion so I don't understand the source of this error.

ERROR: Could not find a version that satisfies the requirement pymatgen-diffusion>=2018.1.4 (from atomate) (from versions: none)
ERROR: No matching distribution found for pymatgen-diffusion>=2018.1.4
rkingsbury commented 2 years ago

Actually I don't think my git pull command was successful. Closing.