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Fix some Pydantic V2 deprecations #2234

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Fix some Pydantic V2 deprecations #2234

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75977d4
Fix some Pydantic V2 deprecations
mattwthompson Sep 11, 2026
8064b17
Explicitly have Pydantic 2 installed
mattwthompson Sep 12, 2026
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1 change: 1 addition & 0 deletions devtools/conda-envs/examples.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -31,6 +31,7 @@ dependencies:
- toml
- bson
- msgpack-python
- pydantic =2
- qcelemental
- qcportal >=0.50
- qcengine
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2 changes: 1 addition & 1 deletion devtools/conda-envs/test_env.yaml
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Expand Up @@ -35,7 +35,7 @@ dependencies:
- toml
- bson
- msgpack-python
- pydantic
- pydantic =2
- qcelemental
- qcportal >=0.50
- qcengine
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2 changes: 1 addition & 1 deletion devtools/conda-envs/test_env_no_openeye.yaml
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Expand Up @@ -32,7 +32,7 @@ dependencies:
- toml
- bson
- msgpack-python
- pydantic
- pydantic =2
- qcelemental
- qcportal >=0.50
- qcengine
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4 changes: 2 additions & 2 deletions examples/QCArchive_interface/QCarchive_interface.ipynb
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Expand Up @@ -562,7 +562,7 @@
}
],
"source": [
"entry.dict()"
"entry.model_dump()"
]
},
{
Expand Down Expand Up @@ -590,7 +590,7 @@
"molecule_from_entry = Molecule.from_qcschema(entry)\n",
"\n",
"# we could have also used the dictionary representation of the object\n",
"molecule_from_dict = Molecule.from_qcschema(entry.dict())\n",
"molecule_from_dict = Molecule.from_qcschema(entry.model_dump())\n",
"\n",
"assert molecule_from_entry == molecule_from_dict\n",
"\n",
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2 changes: 1 addition & 1 deletion openff/toolkit/_tests/test_molecule.py
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Expand Up @@ -3296,7 +3296,7 @@ def test_qcschema_molecule_record_round_trip_from_to_from(self):
"Molecule roundtrip to/from_qcschema failed",
)

mol_dict = off_qcschema.dict()
mol_dict = off_qcschema.model_dump()
del mol_dict["extras"]["canonical_isomeric_explicit_hydrogen_mapped_smiles"]
del mol_dict["identifiers"]["canonical_isomeric_explicit_hydrogen_mapped_smiles"]
with pytest.raises(MissingCMILESError):
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2 changes: 1 addition & 1 deletion openff/toolkit/topology/molecule.py
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Expand Up @@ -4705,7 +4705,7 @@ def from_qcschema(
# Process input as dict; convert if necessary
if not isinstance(qca_object, dict):
try:
qca_object = qca_object.dict()
qca_object = qca_object.model_dump()
except AttributeError:
raise AttributeError(
f"The input object (type {type(qca_object)=} "
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