pymatgen 2023.12.18-foss-2023a

Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes.

Accessing pymatgen 2023.12.18-foss-2023a

To load the module for pymatgen 2023.12.18-foss-2023a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load pymatgen/2023.12.18-foss-2023a

BEAR Apps Version

2023a

Architectures

EL8-emeraldrapids — EL8-icelake — EL8-sapphirerapids

The listed architectures consist of two parts: OS-CPU. The OS used is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.

Extensions

• aioitertools 0.11.0
• anyio 3.7.1
• dnspython 2.4.2
• emmet-core-0.75.0
• fastapi 0.105.0
• h11 0.14.0
• latexcodec 2.0.1
• maggma 0.60.2
• mongogrant 0.3.3
• mongomock 4.1.2
• monty 2023.11.3
• mp-api-0.39.4
• orjson 3.9.10
• palettable 3.3.0
• pybtex 0.24.0
• pydantic-settings-2.1.0
• pydash 7.0.6
• pymatgen 2023.12.18
• pymongo 4.6.1
• python-dotenv-1.0.0
• sentinels 1.0.0
• sniffio 1.3.0
• sshtunnel 0.4.0
• starlette 0.27.0
• uvicorn 0.25.0

More Information

For more information visit the pymatgen website.

Dependencies

This version of pymatgen has a direct dependency on: bcrypt/4.0.1-GCCcore-12.3.0 boto3/1.28.70-GCCcore-12.3.0 Flask/2.3.3-GCCcore-12.3.0 foss/2023a matplotlib/3.7.2-gfbf-2023a networkx/3.1-gfbf-2023a paramiko/3.2.0-GCCcore-12.3.0 plotly.py/5.16.0-GCCcore-12.3.0 pydantic/2.5.3-GCCcore-12.3.0 Python/3.11.3-GCCcore-12.3.0 PyYAML/6.0-GCCcore-12.3.0 PyZMQ/25.1.1-GCCcore-12.3.0 ruamel.yaml/0.17.32-GCCcore-12.3.0 spglib-python/2.1.0-gfbf-2023a sympy/1.12-gfbf-2023a tqdm/4.66.1-GCCcore-12.3.0 uncertainties/3.1.7-foss-2023a

Required By

This version of pymatgen is a direct dependent of: mol-CSPy/v1.1.4-foss-2023a

Last modified on 27th November 2025