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Draft: Add `site-config` directory

Dennis Terhorst requested to merge ebrains-23-02-with-site-config into master

These changes aim to disentangle software stack config and site-specific definitions and are based on the ebrains-23-02 branch. Several other changes were done outside the actual include lines need some discussion first:

  • Sorted spack.yaml alphabetically per block of packages: jupyter, collab, software tools, workflows
  • Commented out some packages that have broken dependencies or have pinned requirements in ancient versions. We should discuss if dependencies should always come in open ranges depends_on("py-pandas@1.0.5:") or with a bounded when parameter (e.g. depends_on("py-pandas@1.0.5", when="@1.2.3")) to not block ecosystem evolution.
  • some fixup has been done in the release branch, which may or may not need to be ported to the main branch.
  • move the Jupyter related specs to a specific site-config for the lab.ebrains.eu containers? Packages with dependencies would still pull those in, but different version constraints could be applied
  • py-pybind11 is available in Spack upstream (maybe only when spack@0.19:)
  • currently the MR uses $SYSTEMNAME as variable (here) for choosing the site-config
Edited by Eric Müller

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