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libxc

License information

Libxc is released under the Mozilla Public License v2.0. The license file can be found as the COPYING file in the libxc GitLab repository.

From LUMI/23.09 on, the license information is also available in $EBROOTLIBXC/share/licences/libxc (as is relevant citation information) after installation of the package and loading of the module.

User-installable modules (and EasyConfigs)

Install with the EasyBuild-user module: 

eb <easyconfig> -r
To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider libxc/<version>.

EasyConfig:

Technical documentation

General information

Libxc is a library of exchange-correlation and kinetic energy functionals for density-functional theory. The original aim was to provide a portable, well tested and reliable set of LDA, GGA, and meta-GGA functionals.

EasyBuild

Version 5.2.2 for cpeGNU 22.08

  • Derived from the EasyConfigs used at CSCS.

Version 6.1.0 for cpeGNU 22.08 and 22.12

  • Derived from the 5.2.2 one, but currently only generating shared libraries.

Version 6.2.2 for cpeGNU 22.12 and 23.09

  • Derived from the 6.1.0 EasyConfig.

Archived EasyConfigs

The EasyConfigs below are additonal easyconfigs that are not directly available on the system for installation. Users are advised to use the newer ones and these archived ones are unsupported. They are still provided as a source of information should you need this, e.g., to understand the configuration that was used for earlier work on the system.