From 14740216546a2127e4d3f65795bb5ce98366fb88 Mon Sep 17 00:00:00 2001 From: Rhys Goodall Date: Sat, 18 Oct 2025 09:52:21 -0400 Subject: [PATCH 1/2] wip: try pin some changed versions. --- pyproject.toml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/pyproject.toml b/pyproject.toml index 1fa82d12..a9356ffd 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -58,8 +58,10 @@ docs = [ "autodoc_pydantic==2.2.0", "furo==2024.8.6", "ipython==8.34.0", + "ipykernel==6.30.1", "jsonschema[format]", "jupyterlab==4.3.4", + "jupyter-core==5.8.1", "jupytext==1.16.7", "myst_parser==4.0.0", "nbsphinx>=0.9.7", From 108e8937e0d48c55bf0c83d0646a3007be3c6fc9 Mon Sep 17 00:00:00 2001 From: Rhys Goodall Date: Sat, 18 Oct 2025 15:47:36 -0400 Subject: [PATCH 2/2] fix: fix fairchem test issue hidden by hf token fault --- tests/models/test_fairchem.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/tests/models/test_fairchem.py b/tests/models/test_fairchem.py index bac01aa0..f445a987 100644 --- a/tests/models/test_fairchem.py +++ b/tests/models/test_fairchem.py @@ -219,16 +219,16 @@ def test_empty_batch_error() -> None: @pytest.mark.skipif( get_token() is None, reason="Requires HuggingFace authentication for UMA model access" ) -def test_load_from_checkpoint_path(device: torch.device, dtype: torch.dtype) -> None: +def test_load_from_checkpoint_path() -> None: """Test loading model from a saved checkpoint file path.""" checkpoint_path = pretrained_checkpoint_path_from_name("uma-s-1") loaded_model = FairChemModel( - model=str(checkpoint_path), task_name="omat", cpu=device.type == "cpu" + model=str(checkpoint_path), task_name="omat", cpu=DEVICE == "cpu" ) # Verify the loaded model works system = bulk("Si", "diamond", a=5.43) - state = ts.io.atoms_to_state([system], device=device, dtype=dtype) + state = ts.io.atoms_to_state([system], device=DEVICE, dtype=DTYPE) results = loaded_model(state) assert "energy" in results