[pre-commit.ci] pre-commit autoupdate

.pre-commit-config.yaml

@@ -23,7 +23,7 @@ repos:
     -   id: black-jupyter
 -   repo: https://github.com/astral-sh/ruff-pre-commit
     # Ruff version.
-    rev: v0.0.277
+    rev: v0.0.278
     hooks:
     - id: ruff
       args: ["--fix"]

dpdata/cp2k/output.py

@@ -327,9 +327,7 @@ def handle_single_xyz_frame(self, lines):
         atom_num = int(lines[0].strip("\n").strip())
         if len(lines) != atom_num + 2:
             raise RuntimeError(
-                "format error, atom_num=={}, {}!=atom_num+2".format(
-                    atom_num, len(lines)
-                )
+                f"format error, atom_num=={atom_num}, {len(lines)}!=atom_num+2"
             )
         data_format_line = lines[1].strip("\n").strip() + " "
         prop_pattern = re.compile(r"(?P<prop>\w+)\s*=\s*(?P<number>.*?)[, ]")

dpdata/system.py

@@ -797,17 +797,9 @@ def replace(self, initial_atom_type, end_atom_type, replace_num):
                 "Must use method replace() of the instance of class dpdata.System"
             )
         if type(replace_num) is not int:
-            raise ValueError(
-                "replace_num must be a integer. Now is {replace_num}".format(
-                    replace_num=replace_num
-                )
-            )
+            raise ValueError(f"replace_num must be a integer. Now is {replace_num}")
         if replace_num <= 0:
-            raise ValueError(
-                "replace_num must be larger than 0.Now is {replace_num}".format(
-                    replace_num=replace_num
-                )
-            )
+            raise ValueError(f"replace_num must be larger than 0.Now is {replace_num}")
 
         try:
             initial_atom_index = self.data["atom_names"].index(initial_atom_type)

dpdata/xyz/quip_gap_xyz.py

@@ -47,9 +47,7 @@ def handle_single_xyz_frame(lines):
         atom_num = int(lines[0].strip("\n").strip())
         if len(lines) != atom_num + 2:
             raise RuntimeError(
-                "format error, atom_num=={}, {}!=atom_num+2".format(
-                    atom_num, len(lines)
-                )
+                f"format error, atom_num=={atom_num}, {len(lines)}!=atom_num+2"
             )
         data_format_line = lines[1].strip("\n").strip() + " "
         field_value_pattern = re.compile(