Fix and harden abacuslite ASE interface

[QuantumMisaka]

Summary

This PR hardens the vendored abacuslite ASE interface and ports the ATST-Tools fixes that are suitable for upstream ABACUS:

• Preserve numbered backups without clobbering existing *.bak.N files and ignore non-canonical suffixes.
• Remove unsupported dipole from the advertised ASE implemented properties.
• Detect contradictory property-derived and user-provided ABACUS keywords.
• Preserve first-occurrence species order when writing STRU files and map FixAtoms / FixCartesian ASE constraints to ABACUS mobility flags.
• Make legacy band parsing tolerate non-band rows while preventing cross-k-point block misreads, and keep magmom result reordering consistent with atoms/forces.

Fixes #7540
Fixes #7544
Fixes #7546

Tests

Run from interfaces/ASE_interface/abacuslite after python3 -m pip install -e ../ --no-deps:

• python3 ./io/generalio.py -v
• python3 ./io/legacyio.py -v
• python3 ./io/latestio.py -v
• python3 ./utils/ksampling.py -v
• python3 core.py TestAbacusCalculator.test_version_number_check TestAbacusCalculator.test_property_keywords_reject_conflicting_user_parameters TestAbacusCalculator.test_property_keywords_reject_conflicting_properties TestAbacusCalculator.test_dipole_property_is_not_implemented -v
• git diff --check -- interfaces/ASE_interface/abacuslite/core.py interfaces/ASE_interface/abacuslite/io/generalio.py interfaces/ASE_interface/abacuslite/io/legacyio.py interfaces/ASE_interface/abacuslite/io/latestio.py

The local shell did not have abacus or mpirun in PATH, so the full calculator execution test remains covered by upstream CI.

[kirk0830]

noted.
I have had a quick scan on your changes. Once all tests are passed, I will review your PR .

Regards.

[kirk0830]

I don't understand what happens here. Does it happen that the 'True' or 'true' string is treated as an iterable which yields 'T r u e' or 't r u e' eventually in ABACUS INPUT file？

[QuantumMisaka]

The string case remains scalar: "true" is not treated as an iterable and is not split into characters.

I simplified the comparison helper in 762919f so it matches the INPUT writer behavior. Python bool values are normalized to ABACUS switch values "1"/"0"; list/tuple/set values are compared by joining their plain string elements; scalar strings stay unchanged. I also added regression coverage for bool equivalence, false bool conflicts, scalar string handling, and iterable comparison semantics.