Update interface to use NQCBase.Structure type.

[Alexsp32]

If we add a Structure type to NQCBase PR, the ASE interface should return converted structures in this type, and support direct conversion as well as conversion from individual atoms, positions and cells.

This PR makes breaking changes compared to previous versions - reflect
this in version changes

• Update NQCD Docs in NQCDynamics.jl.
• Make sure unit tests work.

[Alexsp32]

CI tests should now pass, I've bumped the minimum NQCBase version to fit with changes here.

[Copilot]

Pull request overview

Updates the ASE interface to align with the new NQCBase.Structure return type, and adjusts Python module loading to a runtime __init__ pattern.

Changes:

• Change convert_from_ase_atoms to return NQCBase.Structure instead of a tuple.
• Update ASE Python module import to be initialized in __init__() and accessed via a Ref.
• Update tests and tighten NQCBase compat (and bump package version).

Reviewed changes

Copilot reviewed 3 out of 4 changed files in this pull request and generated 3 comments.

File	Description
src/NQCDInterfASE.jl	Switches conversion output to NQCBase.Structure; updates ASE import initialization.
test/runtests.jl	Updates the test entrypoint to use the package module name.
test/ase.jl	Updates assertions to validate NQCBase.Structure fields, adds multi-frame type checks.
Project.toml	Updates version and NQCBase compat constraint.

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[Copilot]

The PR description mentions supporting direct conversion using the new NQCBase.Structure type, but convert_to_ase_atoms currently only accepts (atoms, positions, cell) inputs. If the intent is to allow convert_to_ase_atoms(::NQCBase.Structure), add an overload that forwards to the existing methods (and update tests/docs accordingly), or adjust the PR description if that support is out of scope.

[Alexsp32]

This is actually a good suggestion, but since Structure.info doesn't enforce specific types, the conversion of info contents into a good pythonic representation should be up to the user.