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Wannier90

License information

Wannier90 3.1.0 is released under the GNU General Public License (v2).

Wannier90 4.-0 is released under the GNU Lesser General Public License (v2.1).

From the 26.03 software stack onwards, the license can also be found in the LICENSE file in $EBROOTWANNIER90/share/licenses/Wannier90 after installing and loading the module.

Users are asked to cite a publication. Which one depends on the version and can be found on the Wannier90 home page.

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 Wannier90/<version>.

EasyConfig:

Technical documentation

General information

Wannier90 is an open-source code (released under GPLv2) for generating maximally-localized Wannier functions and using them to compute advanced electronic properties of materials with high efficiency and accuracy.

Known Issues

  • There is a problem with the code version 3.1.0 and GCC 12/13 reported in the wannier GitHub as issue 521 which may result in wannier program faults.

    For mitigating the issue develop code version (end of Jan 2025) is available with eb file: - Wannier90-24Jan2025-cpeGNU-24.03.eb

EasyBuild

Version 3.1.0

  • The EasyConfig is derived from the Wannier90-3.1.0-foss-2022a.eb EasyConfig.

  • For 26.03, we switched to EB6-compatible parameters.

Version 4.0.1

  • As Wannier90 now uses CMake, we switched to the CMake build process which required some rewriting.

  • ISSUE: The pkg-config file does not pass the validation tests.

  • ISSUE: As soon as the cray-mpich module is unloaded, the BLAS libraries are not found anymore which is very strange. We needed to specify them explicitly.

Archived EasyConfigs

The EasyConfigs below are additional 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.