Spglib

Installed versions

Resource	Version
Dardel/cpe24.11	2.6.0

General information

Spglib is a library for finding and handling crystal symmetries written in C https://spglib.github.io/spglib/index.html

How to use

The Spglib library can be built using different toolchains. You can check available modules using

ml PDC/<version>
ml spider spglib
ml avail spglib

For example, to load the module for the Spglib library built with the cpeGNU 21.11 toolchain

ml PDC/<version>
ml spglib/1.16.0-cpeGNU-21.11

To display information on what paths and environment variables are used when loading a Spglib module

ml show spglib/1.16.0-cpeGNU-21.11
env | grep -i spglib