How to use Spglib

Software
Version
Cluster
Spglib
1.16.0
Dardel

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

ml PDC
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
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

Disclaimer

PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.