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adapt for numpy v2 #338

Merged
merged 10 commits into from
Jun 21, 2024
Merged

adapt for numpy v2 #338

merged 10 commits into from
Jun 21, 2024

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loriab
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@loriab loriab commented Jun 18, 2024 •
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  • Ok, this fixes up qcel for numpy v2. But poetry won't actually let me specify the loosest constraints (use pint v0.24 if numpy v2), so pyproject.toml a little more restrictive than reality.
  • also adds chg/mult to Molecule repr -- that's for eyes so should be harmless. moved to add chgmult to Molecule repr #340

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  • Code base linted
  • Ready to go

@berquist berquist mentioned this pull request Jun 18, 2024
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@loriab loriab mentioned this pull request Jun 19, 2024
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Lnaden
Lnaden approved these changes Jun 21, 2024
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Looks good to me!

@loriab loriab merged commit 5b87192 into MolSSI:master Jun 21, 2024
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@loriab loriab deleted the npv2 branch June 21, 2024 13:08
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@Lnaden Lnaden Lnaden approved these changes

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