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Test errors on Fedora rawhide #185

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susilehtola opened this issue Jan 8, 2020 · 2 comments
Open

Test errors on Fedora rawhide #185

susilehtola opened this issue Jan 8, 2020 · 2 comments

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@susilehtola
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QCElemental has been finally approved as a Fedora package, so that I can update Psi4 to the 1.3 series.

Unfortunately, there are some test errors in the build, all of them arising from the same line

==================================== ERRORS ====================================
_____________ ERROR collecting qcelemental/molutil/test_molutil.py _____________
qcelemental/molutil/test_molutil.py:73: in <module>
    chiral = qcel.models.Molecule.from_data(
qcelemental/models/molecule.py:759: in from_data
    input_dict = to_schema(mol_dict["qm"], dtype=2)
qcelemental/molparse/to_schema.py:48: in to_schema
    geom = geom * constants.conversion_factor(molrec["units"], units)
qcelemental/physical_constants/context.py:258: in conversion_factor
    base_unit = self.ureg.parse_expression(base_unit)
qcelemental/physical_constants/context.py:157: in ureg
    self._ureg = build_units_registry(self)
qcelemental/physical_constants/ureg.py:162: in build_units_registry
    ureg.enable_contexts(c1, c2, c3, c4, c5)
/usr/lib/python3.8/site-packages/pint/registry.py:1108: in enable_contexts
    for (src, dst), func in ctx.funcs.items():
E   RuntimeError: dictionary keys changed during iteration
@susilehtola
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build.log
root.log

@loriab
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loriab commented Jan 8, 2020

Great, thanks for working for it. I know that pint issue, #176. Fortunately, it's fixed in pint 0.10, released a few days ago. Though I fear it won't be that easy with Fedora ...

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