There is a newer version of spglib-pythonSpglib for Python. Spglib is a library for finding and handling crystal symmetries written in C.
Accessing spglib-python 1.16.1-foss-2021a
To load the module for spglib-python 1.16.1-foss-2021a please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load spglib-python/1.16.1-foss-2021a
BEAR Apps Version
The listed architectures consist of two part: OS-CPU.
- BlueBEAR: The OS used on BlueBEAR 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.
- BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.
For more information visit the spglib-python website.
This version of spglib-python has a direct dependency on: foss/2021a Python/3.9.5-GCCcore-10.3.0 SciPy-bundle/2021.05-foss-2021a
This version of spglib-python is a direct dependent of: ASE/3.22.0-foss-2021a
These versions of spglib-python are available on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.
|Version||BEAR Apps Version|
Last modified on 23rd May 2022