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libPSML

A library to handle pseudopotentials in PSML format

homepage: https://gitlab.com/siesta-project/libraries/libpsml

Available installations

libPSML version Supported CPU targets Supported GPU targets EESSI version Module
2.1.0 generic: aarch64, x86_64
Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/grace
AMD: zen2, zen3, zen4
Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake
(none) 2023.06 libPSML/2.1.0-GCC-12.3.0