Testing complex numbers about qcelemental HOT 7 CLOSED

@loriab's suggested change seems like it would work. Looks like the relevant code is here. Could you give it a shot?

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Yup, that did it!

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Awesome, please do make a PR to get this in.

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maybe:

if expected.dtype == np.complex:
    dtype = np.complex
else:
    dtype = np.float
xptd, cptd = np.array(expected, dtype=dtype), np.array(computed, dtype=dtype)

something like that should both better handle complex case and still do the expected coercion.

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Note that with #85, provided one has msgpack installed (which we could make a req'd dep for psi4, while staying optional for qcel), all numpy arrays stay as their native type upon serialization, so complex should be fine and not a json repr issue needing addressing here or in pydantic.

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I reply a bit late. I have updated QCElemental to v0.6.1 and installed MsgPack in my dev environment. I still see the ComplexWarning, is there something more I should do on my end?

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@loriab any additional hints on how to fix this?

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