manual ruff fixes

custodian/vasp/handlers.py

@@ -16,6 +16,7 @@
 import warnings
 from collections import Counter
 from math import prod
+from typing import ClassVar
 
 import numpy as np
 from monty.dev import deprecated
@@ -804,7 +805,7 @@ class AliasingErrorHandler(ErrorHandler):
 
     is_monitor = True
 
-    error_msgs = {
+    error_msgs: ClassVar = {
         "aliasing": ["WARNING: small aliasing (wrap around) errors must be expected"],
         "aliasing_incar": ["Your FFT grids (NGX,NGY,NGZ) are not sufficient for an accurate"],
     }

custodian/vasp/jobs.py

@@ -315,6 +315,7 @@ def double_relaxation_run(
                 wall-time handler which will write a read-only STOPCAR to
                 prevent VASP from deleting it once it finishes. Defaults to
                 False.
+            directory (str): Directory where the job was run. Defaults to './'.
 
         Returns:
             List of two jobs corresponding to an AFLOW style run.
@@ -382,12 +383,8 @@ def metagga_opt_run(
         metaGGA = incar.get("METAGGA", "SCAN")
 
         # Pre optimize WAVECAR and structure using regular GGA
-        pre_opt_settings = [
-            {
-                "dict": "INCAR",
-                "action": {"_set": {"METAGGA": None, "LWAVE": True, "NSW": 0}},
-            }
-        ]
+        new_settings = {"METAGGA": None, "LWAVE": True, "NSW": 0}
+        pre_opt_settings = [{"dict": "INCAR", "action": {"_set": new_settings}}]
         jobs = [
             VaspJob(
                 vasp_cmd,
@@ -460,6 +457,7 @@ def full_opt_run(
             half_kpts_first_relax (bool): Whether to halve the kpoint grid
                 for the first relaxation. Speeds up difficult convergence
                 considerably. Defaults to False.
+            directory (str): Directory where the job was run. Defaults to './'.
             **vasp_job_kwargs: Passthrough kwargs to VaspJob. See
                 :class:`custodian.vasp.jobs.VaspJob`.
 
@@ -558,6 +556,7 @@ def constrained_opt_run(
                 which is more robust but can be a bit slow. The code does fall
                 back on the bisection when bfgs gives a nonsensical result,
                 e.g., negative lattice params.
+            directory (str): Directory where the job was run. Defaults to './'.
             **vasp_job_kwargs: Passthrough kwargs to VaspJob. See
                 :class:`custodian.vasp.jobs.VaspJob`.
 

docs/_themes/flask_theme_support.py

@@ -1,5 +1,7 @@
 """flasky extensions. flasky pygments style based on tango style."""
 
+from typing import ClassVar
+
 from pygments.style import Style
 from pygments.token import (
     Comment,
@@ -23,7 +25,7 @@ class FlaskyStyle(Style):
     background_color = "#f8f8f8"
     default_style = ""
 
-    styles = {
+    styles: ClassVar = {
         # No corresponding class for the following:
         # Text:                     "", # class:  ''
         Whitespace: "underline #f8f8f8",  # class: 'w'

tasks.py

@@ -13,7 +13,7 @@
 
 from custodian import __version__ as CURRENT_VER
 
-NEW_VER = datetime.datetime.today().strftime("%Y.%-m.%-d")
+NEW_VER = datetime.datetime.now(tz=datetime.timezone.utc).strftime("%Y.%-m.%-d")
 
 
 @task

tests/gaussian/test_jobs.py

@@ -67,8 +67,8 @@ def test_better_guess(self):
             self.output_file,
             self.stderr_file,
             self.backup,
-            True,
-            self.directory,
+            cart_coords=True,
+            directory=self.directory,
         )
         jobs = list(job_gen)
         assert len(jobs) == 1, "One job should be generated under normal conditions."