Migrate entanglement forging to Qiskit Nature 0.5.0

[caleb-johnson]

Fixes #89
Fixes #94

This PR removes the deprecated Qiskit Nature API calls from the entanglement forging source code.

This PR removes support for deprecated Qiskit Nature classes as inputs. See the release note for more details.

Considerations/Stray Thoughts:

• The EF with quantum serverless notebook tutorial is breaking on latest/dev branches in CI due to an incompatibility between the new ElectronicStructureProblem class in Nature 0.6.0 and quantum serverless. The serverless folks probably need to add support for a new class or two to support serialization of the new classes coming from Nature. I've made an issue here. I've turned off testing of this notebook for now. I think that's the best we can do until a QServerless fix is available.

Tasks before merging:

• Make issue for adding the serverless tutorial back to the development workflow in CI when quantum serverless fix is available.

• Ensure MO coeff handling is done in the most reasonable way. Work with Nature devs to review.

• Update rst files in docs with new Nature API calls

• merge in latest main and revert Temporarily disable qiskit-nature development version test #120 on this branch

[garrison]

There is also #59.

[coveralls]

Pull Request Test Coverage Report for Build 4702934575

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

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Details

• 39 of 45 (86.67%) changed or added relevant lines in 2 files are covered.
• 16 unchanged lines in 2 files lost coverage.
• Overall coverage decreased (-0.5%) to 84.088%

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Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
circuit_knitting_toolbox/entanglement_forging/cholesky_decomposition.py	17	18	94.44%
circuit_knitting_toolbox/entanglement_forging/entanglement_forging_ground_state_solver.py	22	27	81.48%

Files with Coverage Reduction	New Missed Lines	%
circuit_knitting_toolbox/entanglement_forging/cholesky_decomposition.py	8	93.15%
circuit_knitting_toolbox/entanglement_forging/entanglement_forging_ground_state_solver.py	8	78.65%

Totals
Change from base Build 4689211493:	-0.5%
Covered Lines:	1448
Relevant Lines:	1722

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💛 - Coveralls

[garrison]

I would prefer removing the serverless notebook to delaying this. Qiskit Nature 0.6.0 has already been released, and there are more updates we need to make to the source code to leverage the new types in 0.6.0 and clean some more things up. I'd prefer to get started on that. Running EF with quantum serverless is not a key feature of CKT, just a feature/compatibility. When they suppor the algorithm, we can replace the tutorial.

Yes, that's the other option that allows us to avoid breaking the tutorials. 🙂

I'd be fine with removing that notebook in a subsequent PR so that we can easily revert that PR when the bug is fixed. I'm sure we could also figure out restoring it if made part of this PR, too.

[garrison]

I think we should put a notice at the top of this notebook, saying that it is currently broken and point to issue #108.

[caleb-johnson]

Will do, will include #413 from serverless as well

[caleb-johnson]

This tutorial works now. I updated the code, and Paul had also updated the serverless usage. I'm not sure what fixed it, because the error I encountered before implementing my fix was different than before.

Anyway, I'm returning this to its original state

[garrison]

Haha, this is great ! 😁

[caleb-johnson]

Qiskit/qiskit-serverless#413 (comment)

Yes! I updated the serverless issue here, and I'll probably recommend they close it soon when this is passing CI

[caleb-johnson]

This is still broken in 0.6.0 but is fixed in 0.5.0. I think I will move the ignore-glob into the Actions workflow and out of tox, since it only affects the one workflow (I think/hope)

[caleb-johnson]

Will add a note to the serverless notebook as discussed before

[garrison]

We could consider pinning Qiskit nature < 0.6 in the notebook-dependencies only.

[caleb-johnson]

We could consider pinning Qiskit nature < 0.6 in the notebook-dependencies only.

I like that. Let's do that instead of ignoring the notebook, and I'll leave the warning in the notebook for now?

[garrison]

That sounds perfect to me (as long as CI passes 😂). In particular, I think it makes sense to keep the warning in the notebook, in case people are using the tutorial in a setting where they did not install using [notebook-dependencies].

[garrison]

🎉 🥳