👌 Only require pw.x in get_builder_from_protocol when it's actually needed

[elinscott]

Problem

Wannier90WorkChain.get_builder_from_protocol always assembles the scf and nscf namespaces and always demands a pw code, even though the workchain itself might not require them (it runs those steps only when the namespace is present in its inputs).

A caller reusing a charge density or an nscf folder computed elsewhere is forced to provide a pw.x code that never runs, then delete both namespaces from the returned builder before submitting.

Changes

• Add an nscf_parent_folder argument to Wannier90WorkChain.get_builder_from_protocol: if present, neither pw namespace is assembled, and the folder becomes the pw2wannier90 parent_folder, so the builder starts at the wannier90 step.
• Add an scf_parent_folder argument: if present, the scf namespace is skipped, the nscf is still assembled, and the folder becomes the nscf parent_folder.
• Reject passing both
• Require the pw code only when a pw namespace is assembled, so nscf_parent_folder lets the caller omit it from codes entirely.
• Give check_codes in utils/workflows/builder/submit.py a required_codes argument, matching the parameter of the same name already in utils/code.py.
• To keep exlcude_semicore working, read the semicore pseudopotentials from whichever pw namespace is present, and from the pseudo family and the structure when neither is

The builder comes back ready to submit rather than needing to be patched up afterwards. Defaults are unchanged.

builder = Wannier90WorkChain.get_builder_from_protocol(
    codes={"pw2wannier90": pw2wannier90_code, "wannier90": w90_code},
    structure=structure,
    nscf_parent_folder=nscf_remote_folder,
)

Testing

• A builder built with nscf_parent_folder and no pw code passes Wannier90WorkChain.spec().inputs.validate()
• The same holds for scf_parent_folder
• scf_parent_folder still requires pw
• With nscf_parent_folder, exclude_semicore produces exactly the semicore list the full-assembly path produces
• Passing both parent folders raises
• an unresolvable pseudo family is reported
• the default path still rejects a missing pw code with the original error

[codecov-commenter]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 37.68%. Comparing base (8280e7b) to head (f1d0e36).
⚠️ Report is 112 commits behind head on main.

❗ There is a different number of reports uploaded between BASE (8280e7b) and HEAD (f1d0e36). Click for more details.

HEAD has 2 uploads less than BASE

Flag	BASE (8280e7b)	HEAD (f1d0e36)
	4	2

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #101      +/-   ##
==========================================
- Coverage   43.25%   37.68%   -5.57%     
==========================================
  Files          44       45       +1     
  Lines        4231     5172     +941     
==========================================
+ Hits         1830     1949     +119     
- Misses       2401     3223     +822     

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