From ff9b71a0b4eccc48f3dad7e99e665e65d2843624 Mon Sep 17 00:00:00 2001 From: Alyssa Travitz Date: Tue, 2 Jun 2026 14:05:40 -0700 Subject: [PATCH 1/3] bump pydantic pin --- environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index fffb4b14..c71dc5d3 100644 --- a/environment.yml +++ b/environment.yml @@ -14,7 +14,7 @@ dependencies: - pip - pooch >= 1.9.0 # min needed for https://github.com/fatiando/pooch/issues/502 - py3dmol # opt - - pydantic >=2.0, <2.12 + - pydantic ==2.13 - pytest - pytest-cov - pytest-xdist From e42d44f7e8a8355bfe575482a44627ce23c4acaf Mon Sep 17 00:00:00 2001 From: Alyssa Travitz Date: Tue, 2 Jun 2026 14:08:57 -0700 Subject: [PATCH 2/3] remove serialize_as_any --- gufe/vendor/openff/interchange/pydantic.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/gufe/vendor/openff/interchange/pydantic.py b/gufe/vendor/openff/interchange/pydantic.py index 88853fd8..52d70f89 100644 --- a/gufe/vendor/openff/interchange/pydantic.py +++ b/gufe/vendor/openff/interchange/pydantic.py @@ -15,7 +15,7 @@ class _BaseModel(BaseModel): ) def model_dump(self, **kwargs) -> dict[str, Any]: - return super().model_dump(serialize_as_any=True, **kwargs) + return super().model_dump(**kwargs) def model_dump_json(self, **kwargs) -> str: - return super().model_dump_json(serialize_as_any=True, **kwargs) + return super().model_dump_json(**kwargs) From 3d4b4df48d844cbd748d2555b53779d857545635 Mon Sep 17 00:00:00 2001 From: Alyssa Travitz Date: Fri, 5 Jun 2026 09:59:48 -0700 Subject: [PATCH 3/3] update env to point to openff dev repos --- environment.yml | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index c71dc5d3..cc1b461d 100644 --- a/environment.yml +++ b/environment.yml @@ -7,7 +7,7 @@ dependencies: - msgpack-python - networkx - numpy - - openff-toolkit-base >=0.15.1 +# - openff-toolkit-base >=0.15.1 - openff-units >=0.3.1 - openmm - pint @@ -22,3 +22,6 @@ dependencies: - typing-extensions - ipywidgets # opt - zstandard + - pip: + - git+https://github.com/openforcefield/openff-units@define-pydantic-schema + - git+https://github.com/openforcefield/openff-toolkit@main