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[WIP] Settings model with both pydantic 1 and 2 support #16

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[WIP] Settings model with both pydantic 1 and 2 support #16

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5f20e50
pydantic 2 "support" -- still using v1 syntax
ijpulidos Nov 28, 2023
a3637ba
Support for both pydantic 1 and 2. Import.
ijpulidos Nov 28, 2023
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6 changes: 5 additions & 1 deletion feflow/settings/nonequilibrium_cycling.py
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Expand Up @@ -7,7 +7,11 @@
from typing import Optional
from gufe.settings import Settings
from openff.units import unit
from pydantic import root_validator
# Support for both pydantic 1 and 2
try:
from pydantic.v1 import root_validator
except ImportError:
from pydantic import root_validator
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I think this is what we're doing too everywhere. If we wanted to migrate to v2 only, we'd have to chase upstream to check if anything is v1 only. I haven't had time to check, but I'd guess that OpenFF + QCStack might be a place where there's significant usage of pydantic (and I have no idea if they've prioritised this).

from openfe.protocols.openmm_utils.omm_settings import SystemSettings, SolvationSettings
from openfe.protocols.openmm_rfe.equil_rfe_settings import AlchemicalSettings

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