Move wannier90 build out of the final stage

[danielhollas]

In general, builds shouldn't be done in the final stage since they can leave junk behind them (even though we tried hard to cleanup after ourselves).

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 75.32%. Comparing base (1a80e16) to head (f9acb79).

Additional details and impacted files

@@           Coverage Diff           @@
##             main    #1538   +/-   ##
=======================================
  Coverage   75.32%   75.32%           
=======================================
  Files         115      115           
  Lines        7388     7388           
=======================================
  Hits         5565     5565           
  Misses       1823     1823           

Flag	Coverage Δ
python-3.12	75.32% <ø> (ø)
python-3.9	75.35% <ø> (ø)

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[edan-bainglass]

Thanks @danielhollas. LGTM!

Note that I'd like to soon add also the compilation of SKEAF into the image, which is needed for the calculation of Fermi surfaces by the Wannier90 plugin. If you recall, the workflow required Julia. That is no longer the case - only Python! We just need the SKEAF code installed + aiida-skeaf.

For the SKEAF code, I started looking at placing it on conda-forge. Seems doable.

[danielhollas]

Yes, ideally wannier90 should be in conda-forge as well, should be relatively easy. This should make the build faster and also the image smaller I suspect.

[edan-bainglass]

@danielhollas can you explain how this is taking care of backwards compatibility? What exactly was the issue?

[danielhollas]

Existing deployments will have AiiDA Codes pointing to this path so we need to preserve it.