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Update forging how-to to Qiskit Nature 0.5 #449

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Nov 6, 2023
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@garrison garrison commented Nov 6, 2023

This was overlooked in #83. It is now causing CI errors in the docs workflow (see #448), now that a Qiskit version without PauliTable has been released.

@garrison garrison added documentation Improvements or additions to documentation forging labels Nov 6, 2023

.. jupyter-execute::
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This cell really, really wants to spit something to stderr, and the only way I could figure out not to have it cause the sphinx build to fail was to put this line here.

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Interesting, what is it printing out?

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Here's the warning:

UserWarning: Since PySCF-2.3, B3LYP (and B3P86) are changed to the VWN-RPA variant, corresponding to the original definition by Stephens et al. (issue 1480) and the same as the B3LYP functional in Gaussian. To restore the VWN5 definition, you can put the setting "B3LYP_WITH_VWN5 = True" in pyscf_conf.py

This is also showing up in some Qiskit Nature notebooks, such as at https://qiskit.org/ecosystem/nature/migration/0.5_c_electronic_structure.html.

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Pull Request Test Coverage Report for Build 6776019268

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage remained the same at 92.377%

Totals Coverage Status
Change from base Build 6738062377: 0.0%
Covered Lines: 2957
Relevant Lines: 3201

💛 - Coveralls

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Looks good, thank you!

@garrison garrison merged commit 0ed06fe into main Nov 6, 2023
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@garrison garrison deleted the update-forging-howto branch November 6, 2023 22:34
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3 participants