python3Packages.qiskit-aqua: init at 0.6.5

[drewrisinger]

Motivation for this change

Qiskit Aqua: An extensible library of quantum computing algorithms.

This commit follows the new Qiskit scheme of breaking one large package
into smaller packages (terra, aer, etc), and then having a single
meta-package "qiskit" that comprises them.

Broken out of #78772.
Waiting on #83306 #80662 #83372 to pass, builds cleanly when they're cherry-picked.
python38Packages.qiskit-aqua will be broken due to upstream broken python38Packages.scikit-build (#83305 )

I disabled a lot of tests here, but there's still some 900 that run. So it's pretty well-tested.

Things done

• Tested using sandboxing (nix.useSandbox on NixOS, or option sandbox in nix.conf on non-NixOS linux)
• Built on platform(s)
  • NixOS
  • macOS
  • other Linux distributions
• Tested via one or more NixOS test(s) if existing and applicable for the change (look inside nixos/tests)
• Tested compilation of all pkgs that depend on this change using nix-shell -p nixpkgs-review --run "nixpkgs-review wip"
• Tested execution of all binary files (usually in ./result/bin/)
• Determined the impact on package closure size (by running nix path-info -S before and after)
• Ensured that relevant documentation is up to date
• Fits CONTRIBUTING.md.

[drewrisinger]

@jonringer @FRidh at this point it's just #83306 & #80662 left to finish #78772. I could wrap up the rest of the qiskit fixes in one PR, there's no new packages at this point. That way I could also demonstrate via bot that they all build.

Summary of remaining qiskit fixes (all done, just didn't want to keep spamming PRs):

• Add pythonPackages.qiskit-[aer, ignis, aqua]. See pythonPackages.qiskit-ignis: init at 0.2.0 #83306, pythonPackages.qiskit-aer: init at 0.4.1 #80662
• Delete pythonPackages.IBMQuantumExperience (superseded by pythonPackages.qiskit-ibmq-provider in merged pythonPackages.qiskit-ibmq-provider: init at 0.5.0 #83320 )
• bump pythonPackages.qiskit -> 0.16.2, remove broken tag, make it a superset of the qiskit-[terra,aer,ignis,aqua] packages. python3Packages.qiskit: 0.14.0 -> 0.17.0 #78772

[drewrisinger]

@GrahamcOfBorg eval
running build locally (both via nixpkgs-review and nix-build). Will update with status

[drewrisinger]

Update: builds clean via nixpkgs-review pr 83447.

2 package built:
python37Packages.qiskit-aqua python38Packages.qiskit-aqua

[drewrisinger]

@bhipple @timokau @bcdarwin got a second to review? Clean eval, build is clean locally & via nixpkgs-review pr 83447.

[bcdarwin]

commit/PR should refer to python3Packages

[bcdarwin]

If pyscf can't be added to checkInputs for some reason, probably worth noting. (Indeed, consider adding a comment explaining why it's removed from the dependencies?)

[drewrisinger]

I tried packaging pyscf in #78872, and myself & jonringer ended up deciding that it's being too difficult/ugly to package (issue mostly coming down to pyscf tests being very slow, failures difficult to diagnose, and long list of disabled tests that is hard to maintain). I can add note to that effect in code.

[bcdarwin]

Looks fine to me, will try to build later.

[timokau]

How will that work at runtime? Imagine you're a user that just installed this package from nixpkgs and expects it to work. Will there be unexpected crashes? If so, we should patch in a proper error message explaining the situation.

[drewrisinger]

Good point. I'd be fine adding error message on import. Will try to patch in.

[drewrisinger]

Let's see if we can actually build it now via borg after #84124...
@GrahamcOfBorg build python37Packages.qiskit-aqua
@GrahamcOfBorg build python38Packages.qiskit-aqua
Took everyone's code review suggestions into account, and added an ugly-ish description of why pyscf #78872 isn't included, along with an ImportWarning when someone would try to use the appropriate chemistry section of this package.

[timokau]

Looks like the aarch64 build is failing. Please restrict meta.platforms to x86-linux.

[drewrisinger]

@GrahamcOfBorg build python37Packages.qiskit-aqua python38Packages.qiskit-aqua
Left python3Packages.pyscf discussions "unresolved" above, even though they're actually resolved, as future notes for anyone who finds this issue linked in description.

Traced failing build to pythonPackages.qiskit-aer which had original unfree dependency and so couldn't test against aarch64 on ofborg. Left notes about what the issue is; fully resolving it would require packaging https://github.com/beltoforion/muparserx, which I'll leave for another day.

[timokau]

Looks good, thanks!