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

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dpgen/generator/run.py

@@ -126,7 +126,7 @@
 
 
 def _get_model_suffix(jdata) -> str:
-    """return the model suffix based on the backend"""
+    """Return the model suffix based on the backend"""
     backend = jdata.get("train_backend", "tensorflow")
     if backend == "tensorflow":
         suffix = ".pb"
@@ -193,7 +193,10 @@ def copy_model(numb_model, prv_iter_index, cur_iter_index, suffix=".pb"):
         prv_train_task = os.path.join(prv_train_path, train_task_fmt % ii)
         os.chdir(cur_train_path)
         os.symlink(os.path.relpath(prv_train_task), train_task_fmt % ii)
-        os.symlink(os.path.join(train_task_fmt % ii, "frozen_model%s" % suffix), "graph.%03d%s" % (ii, suffix))
+        os.symlink(
+            os.path.join(train_task_fmt % ii, "frozen_model%s" % suffix),
+            "graph.%03d%s" % (ii, suffix),
+        )
         os.chdir(cwd)
     with open(os.path.join(cur_train_path, "copied"), "w") as fp:
         None
@@ -657,7 +660,9 @@ def make_train(iter_index, jdata, mdata):
     )
     if copied_models is not None:
         for ii in range(len(copied_models)):
-            _link_old_models(work_path, [copied_models[ii]], ii, basename="init%s" % suffix)
+            _link_old_models(
+                work_path, [copied_models[ii]], ii, basename="init%s" % suffix
+            )
     # Copy user defined forward files
     symlink_user_forward_files(mdata=mdata, task_type="train", work_path=work_path)
     # HDF5 format for training data
@@ -811,11 +816,18 @@ def run_train(iter_index, jdata, mdata):
     elif training_init_frozen_model is not None or training_finetune_model is not None:
         forward_files.append(os.path.join("old", "init%s" % suffix))
 
-    backward_files = ["frozen_model%s" % suffix, "lcurve.out", "train.log", "checkpoint"]
+    backward_files = [
+        "frozen_model%s" % suffix,
+        "lcurve.out",
+        "train.log",
+        "checkpoint",
+    ]
     if suffix == ".pb":
-        backward_files += ["model.ckpt.meta",
-                           "model.ckpt.index",
-                           "model.ckpt.data-00000-of-00001"]
+        backward_files += [
+            "model.ckpt.meta",
+            "model.ckpt.index",
+            "model.ckpt.data-00000-of-00001",
+        ]
         if jdata.get("dp_compress", False):
             backward_files.append("frozen_model_compressed%s" % suffix)
 

dpgen/simplify/simplify.py

@@ -31,6 +31,7 @@
     record_iter,
 )
 from dpgen.generator.run import (
+    _get_model_suffix,
     data_system_fmt,
     fp_name,
     fp_task_fmt,
@@ -43,7 +44,6 @@
     run_train,
     train_name,
     train_task_fmt,
-    _get_model_suffix,
 )
 from dpgen.remote.decide_machine import convert_mdata
 from dpgen.util import expand_sys_str, load_file, normalize, sepline, setup_ele_temp