From fa2b92447a6934996aa3300b05fe3a5f3b4696e8 Mon Sep 17 00:00:00 2001
From: alin m elena <alin@elena.re>
Date: Fri, 1 May 2026 06:04:32 +0100
Subject: [PATCH] fix linting

---
 mace/calculators/mace_torchsim.py |  2 --
 mace/tools/finetuning_utils.py    | 15 ++++++++++++---
 mace/tools/model_script_utils.py  |  8 ++++++--
 tests/test_calculator.py          |  4 +---
 4 files changed, 19 insertions(+), 10 deletions(-)

diff --git a/mace/calculators/mace_torchsim.py b/mace/calculators/mace_torchsim.py
index ee178202a..03239ef45 100644
--- a/mace/calculators/mace_torchsim.py
+++ b/mace/calculators/mace_torchsim.py
@@ -195,8 +195,6 @@ def _resolve_head(head: Optional[Union[str, int]], available_heads: list) -> int
         return 0
 
     def _setup_compile(self, compile_mode: str) -> None:
-        import torch._dynamo as dynamo
-
         from mace.tools.compile import configure_autograd_for_compile, simplify
 
         if self._enable_oeq:
diff --git a/mace/tools/finetuning_utils.py b/mace/tools/finetuning_utils.py
index d4c805b45..0ec5c6e2e 100644
--- a/mace/tools/finetuning_utils.py
+++ b/mace/tools/finetuning_utils.py
@@ -236,7 +236,10 @@ def load_foundations_elements(
                     readout.linear_1.weight = torch.nn.Parameter(
                         model_readouts_one_linear_1_weight
                     )
-                    if readout.linear_1.bias is not None and readout.linear_1.bias.numel() > 0:
+                    if (
+                        readout.linear_1.bias is not None
+                        and readout.linear_1.bias.numel() > 0
+                    ):
                         model_readouts_one_linear_1_bias = (
                             model_foundations.readouts[i]
                             .linear_1.bias.view(-1)
@@ -259,7 +262,10 @@ def load_foundations_elements(
                         / ((shape_input_1) / (shape_output_1)) ** 0.5
                     )
                     # if it has biases transfer them too
-                    if readout.linear_mid.bias is not None and readout.linear_mid.bias.numel() > 0:
+                    if (
+                        readout.linear_mid.bias is not None
+                        and readout.linear_mid.bias.numel() > 0
+                    ):
                         readout.linear_mid.bias = torch.nn.Parameter(
                             model_foundations.readouts[i]
                             .linear_mid.bias.repeat(len(model_heads))
@@ -277,7 +283,10 @@ def load_foundations_elements(
                     readout.linear_2.weight = torch.nn.Parameter(
                         model_readouts_one_linear_2_weight
                     )
-                    if readout.linear_2.bias is not None and readout.linear_2.bias.numel() > 0:
+                    if (
+                        readout.linear_2.bias is not None
+                        and readout.linear_2.bias.numel() > 0
+                    ):
                         model_readouts_one_linear_2_bias = (
                             model_foundations.readouts[i]
                             .linear_2.bias.view(-1)
diff --git a/mace/tools/model_script_utils.py b/mace/tools/model_script_utils.py
index 4f2cf148c..0f1bd7819 100644
--- a/mace/tools/model_script_utils.py
+++ b/mace/tools/model_script_utils.py
@@ -32,8 +32,12 @@ def configure_model(
         args.compute_stress = True
 
     if compute_virials or compute_stress:
-        if args.error_table in ['PerAtomRMSE','PerAtomMAE','TotalRMSE', 'TotalMAE']:
-            args.error_table = "PerAtomRMSEstressvirials" if 'RMSE' in args.error_table else 'PerAtomMAEstressvirials'
+        if args.error_table in ["PerAtomRMSE", "PerAtomMAE", "TotalRMSE", "TotalMAE"]:
+            args.error_table = (
+                "PerAtomRMSEstressvirials"
+                if "RMSE" in args.error_table
+                else "PerAtomMAEstressvirials"
+            )
 
     output_args = {
         "energy": args.compute_energy,
diff --git a/tests/test_calculator.py b/tests/test_calculator.py
index 9390261a4..f7e33509d 100644
--- a/tests/test_calculator.py
+++ b/tests/test_calculator.py
@@ -856,9 +856,7 @@ def __init__(self, model_paths, device, default_dtype, **kwargs):
             self.kwargs = kwargs
 
     monkeypatch.setattr(foundations_models, "get_cache_dir", lambda: str(tmp_path))
-    monkeypatch.setattr(
-        foundations_models, "_urlretrieve_with_timeout", fake_download
-    )
+    monkeypatch.setattr(foundations_models, "_urlretrieve_with_timeout", fake_download)
     monkeypatch.setattr(foundations_models, "MACECalculator", DummyCalculator)
 
     kwargs = {"device": "cpu"}