pyupgrade --py37-plus **/*.py + black

Author: janosh

atomate/common/firetasks/parse_outputs.py

@@ -53,9 +53,7 @@ def run_task(self, fw_spec):
 
         # parse the calc directory
         logger.info(
-            "PARSING DIRECTORY: {} USING DRONE: {}".format(
-                calc_dir, self["drone"].__class__.__name__
-            )
+            f"PARSING DIRECTORY: {calc_dir} USING DRONE: {self['drone'].__class__.__name__}".
         )
         # get the database connection
         db_file = env_chk(self.get("db_file"), fw_spec)

atomate/feff/firetasks/__init__.py

@@ -1,4 +1,3 @@
-
 from .glue_tasks import *
 from .parse_outputs import *
 from .run_calc import *

atomate/feff/fireworks/__init__.py

@@ -1,2 +1 @@
-
 from .core import *

atomate/feff/fireworks/core.py

@@ -33,7 +33,7 @@ def __init__(
         db_file=None,
         parents=None,
         metadata=None,
-        **kwargs
+        **kwargs,
     ):
         """
         Write the input set for FEFF-XAS spectroscopy, run FEFF and insert the absorption
@@ -63,7 +63,7 @@ def __init__(
             structure,
             edge=edge,
             radius=radius,
-            **override_default_feff_params
+            **override_default_feff_params,
         )
         spectrum_type = feff_input_set.__class__.__name__[2:-3]
 
@@ -90,8 +90,8 @@ def __init__(
         super().__init__(
             t,
             parents=parents,
-            name="{}-{}".format(structure.composition.reduced_formula, name),
-            **kwargs
+            name=f"{structure.composition.reduced_formula}-{name}",
+            **kwargs,
         )
 
 
@@ -114,7 +114,7 @@ def __init__(
         db_file=None,
         parents=None,
         metadata=None,
-        **kwargs
+        **kwargs,
     ):
         """
         Write the input set for FEFF-EELSS spectroscopy, run feff and insert the core-loss spectrum
@@ -154,7 +154,7 @@ def __init__(
             collection_angle,
             convergence_angle,
             user_eels_settings=user_eels_settings,
-            **override_default_feff_params
+            **override_default_feff_params,
         )
         spectrum_type = feff_input_set.__class__.__name__[2:-3]
 
@@ -181,8 +181,8 @@ def __init__(
         super().__init__(
             t,
             parents=parents,
-            name="{}-{}".format(structure.composition.reduced_formula, name),
-            **kwargs
+            name=f"{structure.composition.reduced_formula}-{name}",
+            **kwargs,
         )
 
 
@@ -203,7 +203,7 @@ def __init__(
         filepad_file=None,
         labels=None,
         metadata=None,
-        **kwargs
+        **kwargs,
     ):
         """
         Write the input set for FEFF-EXAFS spectroscopy with customized scattering paths, run feff,
@@ -237,7 +237,7 @@ def __init__(
             structure,
             edge=edge,
             radius=radius,
-            **override_default_feff_params
+            **override_default_feff_params,
         )
 
         t = [
@@ -260,6 +260,6 @@ def __init__(
         super().__init__(
             t,
             parents=parents,
-            name="{}-{}".format(structure.composition.reduced_formula, name),
-            **kwargs
+            name=f"{structure.composition.reduced_formula}-{name}",
+            **kwargs,
         )

atomate/feff/workflows/__init__.py

@@ -1,3 +1,2 @@
-
 from .core import *
 from .presets import *

atomate/feff/workflows/tests/test_exafs_scattering_paths.py

@@ -30,7 +30,7 @@ def setUp(self):
     def test_wflow_composition(self):
         self.assertEqual(len(self.wf_dict["fws"]), 2)
         ans = sorted(["FeO-EXAFS-K-0", "FeO-EXAFS Paths"])
-        self.assertEqual(ans, sorted([ft["name"] for ft in self.wf_dict["fws"]]))
+        self.assertEqual(ans, sorted(ft["name"] for ft in self.wf_dict["fws"]))
 
     def test_feff_input_sets(self):
         ans_fis_fw1 = {

atomate/lammps/firetasks/__init__.py

@@ -1,6 +1,4 @@
-
 # from .write_inputs import *
 # from .run_calc import *
 # from .parse_outputs import *
 # from .glue_tasks import *
-

atomate/lammps/fireworks/__init__.py

@@ -1,2 +1 @@
-
 # from .core import *

atomate/lammps/workflows/__init__.py

@@ -1,2 +1 @@
-
 # from .core import *

atomate/qchem/firetasks/run_calc.py

@@ -47,9 +47,7 @@ def run_task(self, fw_spec):
 
         logger.info(f"Running command: {cmd}")
         return_code = subprocess.call(cmd, shell=True)
-        logger.info(
-            "Command {} finished running with return code: {}".format(cmd, return_code)
-        )
+        logger.info(f"Command {cmd} finished running with return code: {return_code}")
 
 
 @explicit_serialize