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Units exchange #24

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Units exchange #24

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FNTwin
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@FNTwin FNTwin commented Nov 10, 2023

  • Added Pint as dependency
  • Removed units.py in favor of pint as it allows us to be more flexible with the units conversion
  • Fixed Dummy class for openMLIP tests

@FNTwin FNTwin requested a review from prtos as a code owner November 10, 2023 16:31
@FNTwin FNTwin mentioned this pull request Nov 10, 2023
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FNTwin commented Nov 10, 2023

Should be pretty straightforward PR as it doesn't change any API.

@FNTwin FNTwin marked this pull request as draft November 10, 2023 19:11
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FNTwin commented Nov 10, 2023

Draft until I test dependencies with other OpenDrugDiscovery packages

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FNTwin commented Nov 29, 2023

Edit on testing Pint dependencies with other OpenDrugDiscovery packages. QCElemental from the MolSSI suite has pint as dependency it seems

@FNTwin FNTwin closed this Jul 25, 2024
@FNTwin FNTwin deleted the units_exchange branch July 25, 2024 18:16
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