Update logger for singlepoint

janus_core/cli.py

@@ -160,7 +160,7 @@ def singlepoint(
         device=device,
         read_kwargs=read_kwargs,
         calc_kwargs=calc_kwargs,
-        log_file=log_file,
+        log_kwargs={"filename": log_file, "filemode": "a"},
     )
     s_point.run_single_point(
         properties=properties, write_results=True, write_kwargs=write_kwargs
@@ -242,7 +242,7 @@ def geomopt(  # pylint: disable=too-many-arguments,too-many-locals
         device=device,
         read_kwargs=read_kwargs,
         calc_kwargs=calc_kwargs,
-        log_file=log_file,
+        log_kwargs={"filename": log_file, "filemode": "w"},
     )
 
     opt_kwargs = {"trajectory": traj_file} if traj_file else None

janus_core/single_point.py

@@ -16,7 +16,6 @@
     Devices,
     MaybeList,
     MaybeSequence,
-    PathLike,
 )
 from janus_core.log import config_logger
 from janus_core.mlip_calculators import choose_calculator
@@ -46,8 +45,8 @@ class SinglePoint:
         Keyword arguments to pass to ase.io.read. Default is {}.
     calc_kwargs : Optional[dict[str, Any]]
         Keyword arguments to pass to the selected calculator. Default is {}.
-    log_file : Optional[PathLike]
-        Name of log file if writing logs. Default is None.
+    log_kwargs : Optional[dict[str, any]]
+            Keyword arguments to pass to `config_logger`. Default is {}.
 
     Attributes
     ----------
@@ -83,7 +82,7 @@ def __init__(
         device: Devices = "cpu",
         read_kwargs: Optional[ASEReadArgs] = None,
         calc_kwargs: Optional[dict[str, Any]] = None,
-        log_file: Optional[PathLike] = None,
+        log_kwargs: Optional[dict[str, any]] = None,
     ) -> None:
         """
         Read the structure being simulated and attach an MLIP calculator.
@@ -108,8 +107,8 @@ def __init__(
             Keyword arguments to pass to ase.io.read. Default is {}.
         calc_kwargs : Optional[dict[str, Any]]
             Keyword arguments to pass to the selected calculator. Default is {}.
-        log_file : Optional[PathLike]
-            Name of log file if writing logs. Default is None.
+        log_kwargs : Optional[dict[str, any]]
+            Keyword arguments to pass to `config_logger`. Default is {}.
         """
         if struct and struct_path:
             raise ValueError(
@@ -123,10 +122,15 @@ def __init__(
                 "or a path to the structure file (`struct_path`)"
             )
 
-        self.logger = config_logger(name=__name__, filename=log_file)
-
         read_kwargs = read_kwargs if read_kwargs else {}
         calc_kwargs = calc_kwargs if calc_kwargs else {}
+        log_kwargs = log_kwargs if log_kwargs else {}
+
+        if log_kwargs and "filename" not in log_kwargs:
+            raise ValueError("'filename' must be included in `log_kwargs`")
+
+        log_kwargs.setdefault("name", __name__)
+        self.logger = config_logger(**log_kwargs)
 
         self.architecture = architecture
         self.device = device