[package list]

Siesta

License information

Siesta is distributed under the GNU General Public License verison 3.0 a copy of which can also be found in the COPYING file in the Siesta GitLab repo.

After installation and loading the module, the license information (and some other information) is also available in the directory $EBROOTSIESTA/share/licenses/Siesta.

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 Siesta/<version>.

EasyConfig:

• EasyConfig Siesta-4.1.5-cpeGNU-23.09-rocm.eb, will build Siesta/4.1.5-cpeGNU-23.09-rocm

• EasyConfig Siesta-4.1.5-cpeGNU-24.03-rocm.eb, will build Siesta/4.1.5-cpeGNU-24.03-rocm

• EasyConfig Siesta-5.4.2-cpeGNU-25.03-rocm.eb, will build Siesta/5.4.2-cpeGNU-25.03-rocm

  Checksums for Siesta seem to be a bit unreliable. If you get a checksum error, you may want to use the --ignore-checksums option of EasyBuild. It looks like sometimes changes happen in the repository without changing the version number.

  Siesta 5.4.2 for LUMI/25.03 sometimes fails finding libfdf when building. Rerunning the easybuild install usually fixes this. This could be a timing-related error but it is also a strange thing as a good installation process shouldn't be looking for other software anymore in the install phase, but do so in the configure phase.

Technical documentation

• SIESTA home page

• SIESTA is also one of the flagship codes of the EuroHPC CoE Max

• SIESTA development on GitLab

• SIESTA documentation site

EasyBuild

• Support in the EasyBuilders repository

• There is no support in the CSCS repository.

• Support in Spack

Siesta 4.1.5 for cpeGNU 22.12, CPU version

• The EasyConfig is developed by LUST using MakeCp rather then adapting the software-specific easyblock from EasyBuild.

Siesta 5.4.2 for cpeGNU 25.03, GPU Version

• The EasyConfig was adapted by changing MakeCp into CMakeMake inspired by the recipe in the Easybuild repositories

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.

• Archived EasyConfigs from LUMI-EasyBuild-contrib - previously user-installable software
  • EasyConfig Siesta-4.1.5-cpeGNU-22.12-CPU.eb, with module Siesta/4.1.5-cpeGNU-22.12-CPU