[pre-commit.ci] auto fixes from pre-commit.com hooks

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deepmodeling · Dec 4, 2024 · ad714ed · ad714ed
1 parent 7ead6b8
commit ad714ed
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Showing 3 changed files with 20 additions and 11 deletions.
diff --git a/dpgen/auto_test/Gamma.py b/dpgen/auto_test/Gamma.py
@@ -472,12 +472,15 @@ def _compute_lower(self, output_file, all_tasks, all_res):
                 )
 
                 miller_index = loadfn(os.path.join(ii, "miller.json"))
-                ptr_data += "%-25s     %7.2f   %7.3f    %8.3f %8.3f\n" % (  # noqa: UP031
-                    str(miller_index) + "-" + structure_dir + ":",
-                    int(ii[-4:]) / self.n_steps,
-                    sfe,
-                    epa,
-                    equi_epa_slab,
+                ptr_data += (
+                    "%-25s     %7.2f   %7.3f    %8.3f %8.3f\n"
+                    % (  # noqa: UP031
+                        str(miller_index) + "-" + structure_dir + ":",
+                        int(ii[-4:]) / self.n_steps,
+                        sfe,
+                        epa,
+                        equi_epa_slab,
+                    )
                 )
                 res_data[int(ii[-4:]) / self.n_steps] = [sfe, epa, equi_epa]
 

diff --git a/dpgen/auto_test/Interstitial.py b/dpgen/auto_test/Interstitial.py
@@ -283,7 +283,8 @@ def make_confs(self, path_to_work, path_to_equi, refine=False):
                     os.chdir(cwd)
 
                     output_task2 = os.path.join(
-                        path_to_work, "task.%06d" % (len(dss) + 1)  # noqa: UP031
+                        path_to_work,
+                        "task.%06d" % (len(dss) + 1),  # noqa: UP031
                     )
                     os.makedirs(output_task2, exist_ok=True)
                     os.chdir(output_task2)
@@ -305,7 +306,8 @@ def make_confs(self, path_to_work, path_to_equi, refine=False):
                     os.chdir(cwd)
 
                     output_task3 = os.path.join(
-                        path_to_work, "task.%06d" % (len(dss) + 2)  # noqa: UP031
+                        path_to_work,
+                        "task.%06d" % (len(dss) + 2),  # noqa: UP031
                     )
                     os.makedirs(output_task3, exist_ok=True)
                     os.chdir(output_task3)
@@ -346,7 +348,8 @@ def make_confs(self, path_to_work, path_to_equi, refine=False):
                                 replace_label = idx
 
                     output_task4 = os.path.join(
-                        path_to_work, "task.%06d" % (len(dss) + 3)  # noqa: UP031
+                        path_to_work,
+                        "task.%06d" % (len(dss) + 3),  # noqa: UP031
                     )
                     os.makedirs(output_task4, exist_ok=True)
                     os.chdir(output_task4)
@@ -380,7 +383,8 @@ def make_confs(self, path_to_work, path_to_equi, refine=False):
                     os.chdir(cwd)
 
                     output_task5 = os.path.join(
-                        path_to_work, "task.%06d" % (len(dss) + 4)  # noqa: UP031
+                        path_to_work,
+                        "task.%06d" % (len(dss) + 4),  # noqa: UP031
                     )
                     os.makedirs(output_task5, exist_ok=True)
                     os.chdir(output_task5)
@@ -414,7 +418,8 @@ def make_confs(self, path_to_work, path_to_equi, refine=False):
                     os.chdir(cwd)
 
                     output_task6 = os.path.join(
-                        path_to_work, "task.%06d" % (len(dss) + 5)  # noqa: UP031
+                        path_to_work,
+                        "task.%06d" % (len(dss) + 5),  # noqa: UP031
                     )
                     os.makedirs(output_task6, exist_ok=True)
                     os.chdir(output_task6)

diff --git a/tests/generator/test_post_fp.py b/tests/generator/test_post_fp.py
@@ -263,6 +263,7 @@ def setUp(self):
             "iter.000000/02.fp/data.000", fmt="deepmd/raw"
         )
 
+
 class TestPostCP2K(unittest.TestCase, CompLabeledSys):
     def setUp(self):
         self.places = 5