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UppASD

License information

The UppASD software is covered by the GNU General Public License v3.0 a copy of which is included in the LICENSE file in the UppASD GitHub repository.

After installation and loading of the module, the license is also available as the $EBROOTUPPASD/share/licenses/UppASD/LICENSE file (from the 22.12 toolchains on).

User documentation

The UppASD build recipes are contributed by KTH but adapted for LUMI.

The build recipes do install the Python ASD_GUI and ASD_Tools code (in $EBROOTUPPASD/ASD_GUI and $EBROOTUPPASD/ASD_Tools respectively) but do not build a Python environment with all dependencies of those packages. Given that several of the dependencies link to graphics UI libraries which are notoriously hard to run on LUMI, it may be better to either build a conda container using lumi-container-wrapper or cotainr, or simply run the Python code on a workstation. $EBROOTUPPASD/requirements.txt is the Python pip requirements file included in the GitHub repository, but $EBROOTUPPASD/ASD_GUI contains a different one also.

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 UppASD/<version>.

EasyConfig:

Technical documentation

EasyBuild

  • There is no support for UppASD in the EasyBuilders repository.

  • There is no support for UppASD in the CSCS repository.

  • There is no support for UppASD in Spack

Version 6.0.2 for CPE 22.06

  • Contributed by the UppASD developers (and also used on Dardel).

Version 6.0.2 for CPE 22.08

  • Some slight reworking of the EasyConfig of 22.06 which was contributed by the developers to follow better the standard approach used in other EasyConfigs for LUMI.

  • The GUI functionality is not installed as LUMI doesn't currenbtly offer all needed packages.

UppASD-6.0.2 with cpeGNU-22.12, cpeAOCC-22.12 and cpeCray-23.03

  • Derived from the previous ones.

  • Still does not install the Python packages that are needed to run the included Python code in the ASD_BUI and ASD_Tools directories.

  • The cpeAOCC version is a near trivial adaptation.

  • There is a crayftn-ftn target to compile with Cray Fortran but in the release version of the code there is a problem with the link line. The -cpp option also appears on the link line which is not appreciated by Cray Fortran. It then expects also to find source files and complains that no valid file names are specified on the command line.

    To patch this, changes need to be made to source/make/makefile.template which we do via a patch file.

    Note that the compilation does produce some scary warnings, so it is not clear if the Cray version will work correctly.

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.