simplify dict construction in lobster read_saved_json(), LobsterTaskD…

…ocument.from_directory

.pre-commit-config.yaml

@@ -2,7 +2,7 @@ default_language_version:
   python: python3
 repos:
 - repo: https://github.com/charliermarsh/ruff-pre-commit
-  rev: v0.2.1
+  rev: v0.2.2
   hooks:
   - id: ruff
     args: [--fix]

src/atomate2/cp2k/sets/base.py

@@ -216,7 +216,7 @@ def get_input_set(
         Cp2kInput
             A Cp2k input set.
         """
-        structure, prev_input, cp2k_output = self._get_previous(structure, prev_dir)
+        structure, prev_input, _cp2k_output = self._get_previous(structure, prev_dir)
 
         input_updates = self.get_input_updates(
             structure,

src/atomate2/lobster/schemas.py

@@ -806,10 +806,8 @@ def from_directory(
             "dos_comparison": True,
             "n_bins": 256,
             "bva_comp": True,
+            **(calc_quality_kwargs or {}),
         }
-        if calc_quality_kwargs:
-            for args, values in calc_quality_kwargs.items():
-                calc_quality_kwargs_default[args] = values
 
         calc_quality_summary = CalcQualitySummary.from_directory(
             dir_name,
@@ -1319,16 +1317,12 @@ def read_saved_json(
         Returns a dictionary with lobster task json data corresponding to query.
     """
     with gzip.open(filename, "rb") as file:
-        lobster_data = {}
-        objects = ijson.items(file, "item", use_float=True)
-        for obj in objects:
-            if query is None:
-                for field, data in obj.items():
-                    lobster_data[field] = data
-            elif query in obj:
-                for field, data in obj.items():
-                    lobster_data[field] = data
-                break
+        lobster_data = {
+            field: data
+            for obj in ijson.items(file, "item", use_float=True)
+            for field, data in obj.items()
+            if query is None or query in obj
+        }
         if not lobster_data:
             raise ValueError(
                 "Please recheck the query argument. "

src/atomate2/utils/file_client.py

@@ -465,7 +465,7 @@ def gunzip(
             path.unlink()
         else:
             ssh = self.get_ssh(host)
-            _, stdout, _ = ssh.exec_command(f"gunzip -f {path!s}")
+            _stdin, _stdout, _stderr = ssh.exec_command(f"gunzip -f {path!s}")
 
     def close(self) -> None:
         """Close all connections."""