[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

Author: pre-commit-ci[bot]

deepmd/entrypoints/eval_desc.py

@@ -126,12 +126,12 @@ def eval_desc(
         )
 
         # save descriptors
-        system_name = os.path.basename(system_path.rstrip('/'))
+        system_name = os.path.basename(system_path.rstrip("/"))
         desc_file = output_dir / f"{system_name}.npy"
         np.save(desc_file, descriptors)
-        
+
         log.info(f"# descriptors saved to {desc_file}")
         log.info(f"# descriptor shape: {descriptors.shape}")
         log.info("# ----------------------------------- ")
 
-    log.info("# eval_desc completed successfully")
+    log.info("# eval_desc completed successfully")

source/tests/universal/test_eval_desc.py

@@ -1,36 +1,42 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
-import unittest
-import tempfile
-import os
 import inspect
+import os
 import shutil
-from pathlib import Path
+import tempfile
+import unittest
 
-from deepmd.entrypoints.eval_desc import eval_desc
+from deepmd.common import (
+    expand_sys_str,
+)
 from deepmd.entrypoints import eval_desc as eval_desc_module
-from deepmd.common import expand_sys_str
+from deepmd.entrypoints.eval_desc import (
+    eval_desc,
+)
 
 
 class TestEvalDesc(unittest.TestCase):
     """Test the eval-desc CLI functionality."""
-    
+
     def test_eval_desc_function_signature(self) -> None:
         """Test that eval_desc function has the expected signature."""
         # Check that it's callable
         self.assertTrue(callable(eval_desc))
-        
+
         # Check that it accepts the expected parameters
         sig = inspect.signature(eval_desc)
-        expected_params = {'model', 'system', 'datafile', 'output', 'head'}
-        actual_params = set(sig.parameters.keys()) - {'kwargs'}
-        self.assertEqual(expected_params, actual_params, 
-                       f"Expected parameters {expected_params}, got {actual_params}")
-    
+        expected_params = {"model", "system", "datafile", "output", "head"}
+        actual_params = set(sig.parameters.keys()) - {"kwargs"}
+        self.assertEqual(
+            expected_params,
+            actual_params,
+            f"Expected parameters {expected_params}, got {actual_params}",
+        )
+
     def test_eval_desc_module_docstring(self) -> None:
         """Test that eval_desc module has proper documentation."""
         self.assertIsNotNone(eval_desc_module.__doc__)
         self.assertIn("descriptor", eval_desc_module.__doc__.lower())
-    
+
     def test_eval_desc_expansion_logic(self) -> None:
         """Test system expansion logic without requiring full deepmd."""
         # Create test directories
@@ -39,23 +45,23 @@ def test_eval_desc_expansion_logic(self) -> None:
             # Test that expand_sys_str is available and works
             result = expand_sys_str("nonexistent_path")
             self.assertIsInstance(result, list)
-            
+
             # Test with existing directory
             os.makedirs(os.path.join(test_dir, "system1"))
             result = expand_sys_str(os.path.join(test_dir, "system*"))
             self.assertIsInstance(result, list)
-            
+
         finally:
             shutil.rmtree(test_dir, ignore_errors=True)
-    
+
     def test_eval_desc_parameter_validation(self) -> None:
         """Test parameter validation without requiring model loading."""
         # Test with completely invalid inputs - should fail early
         test_dir = tempfile.mkdtemp()
         try:
             nonexistent = os.path.join(test_dir, "nonexistent")
             output = os.path.join(test_dir, "output")
-            
+
             # This should raise RuntimeError about not finding valid system
             # before trying to load the model
             with self.assertRaises(RuntimeError) as context:
@@ -65,13 +71,13 @@ def test_eval_desc_parameter_validation(self) -> None:
                     datafile=None,
                     output=output,
                 )
-            
+
             # Check that it's the expected error message
             self.assertIn("Did not find valid system", str(context.exception))
-            
+
         finally:
             shutil.rmtree(test_dir, ignore_errors=True)
 
 
 if __name__ == "__main__":
-    unittest.main()
+    unittest.main()