EasyBuild & Spack

Try completing the following exercises in your VSC account.

EasyBuild

• install EasyBuild in a Python virtual environment, including some optional dependencies like rich and archspec;
• configure EasyBuild to use $VSC_DATA/easybuild for software installations, module files, and sources, and /tmp/$USER/easybuild as location for (temporary) build directories;
• install tblite-0.4.0-gfbf-2024a.eb on top of the modules that are available centrally (you will need to use the --rebuild since the corresponding module is likely already available);
• create an easyconfig file for the latest version of tblite (0.7.0) using the gfbf/2026.1 toolchain, starting from tblite-0.4.0-gfbf-2024a.eb;
  • use your easyconfig to check how many modules need to be installed before tblite 0.7.0 can be installed;
  • try installing tblite 0.7.0 with your easyconfig file;
  • load the resulting module for tblite 0.7.0, and run an example;

Spack

• install Spack in your VSC account (not in your home directory!);
• set up your environment to start using Spack;
• make Spack aware of the available system compilers;
• try installing tblite 0.7.0 with Spack, make sure that the Python bindings are also installed;
• set up your environment to use the installed tblite 0.7.0, and run an example;