From 3bddc7341e4b21d2c8f91d1e4cdb505735579375 Mon Sep 17 00:00:00 2001
From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com>
Date: Mon, 29 Jan 2024 07:24:38 +0000
Subject: [PATCH 1/2] Bump atomistics from 0.1.20 to 0.1.21

Bumps [atomistics](https://github.com/pyiron/atomistics) from 0.1.20 to 0.1.21.
- [Release notes](https://github.com/pyiron/atomistics/releases)
- [Commits](https://github.com/pyiron/atomistics/compare/atomistics-0.1.20...atomistics-0.1.21)

---
updated-dependencies:
- dependency-name: atomistics
  dependency-type: direct:development
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <support@github.com>
---
 setup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/setup.py b/setup.py
index 3a642ad2..4da4447d 100644
--- a/setup.py
+++ b/setup.py
@@ -39,7 +39,7 @@
     extras_require={
         "node_library": [
             'ase==3.22.1',
-            'atomistics==0.1.20',
+            'atomistics==0.1.21',
             'numpy==1.26.3',
             'phonopy==2.21.0',
             'pyiron_atomistics==0.4.7',

From a21b8a848d7deffc0f39209ea6de1648e7ff8a63 Mon Sep 17 00:00:00 2001
From: pyiron-runner <pyiron@mpie.de>
Date: Tue, 30 Jan 2024 18:22:08 +0000
Subject: [PATCH 2/2] Format black

---
 pyiron_workflow/__init__.py                   |  1 +
 pyiron_workflow/node.py                       |  6 +++---
 .../node_library/pyiron_atomistics.py         | 21 ++++++++++++-------
 pyiron_workflow/snippets/testcase.py          |  2 --
 4 files changed, 17 insertions(+), 13 deletions(-)

diff --git a/pyiron_workflow/__init__.py b/pyiron_workflow/__init__.py
index 4bdf2160..41231fb5 100644
--- a/pyiron_workflow/__init__.py
+++ b/pyiron_workflow/__init__.py
@@ -28,4 +28,5 @@
 - Ontological hinting for data channels in order to provide guided workflow design
 - GUI on top for code-lite/code-free visual scripting
 """
+
 from pyiron_workflow.workflow import Workflow
diff --git a/pyiron_workflow/node.py b/pyiron_workflow/node.py
index e30ebd0d..2a232f26 100644
--- a/pyiron_workflow/node.py
+++ b/pyiron_workflow/node.py
@@ -431,9 +431,9 @@ def run(
             )
 
         return self._run(
-            finished_callback=self._finish_run_and_emit_ran
-            if emit_ran_signal
-            else self._finish_run,
+            finished_callback=(
+                self._finish_run_and_emit_ran if emit_ran_signal else self._finish_run
+            ),
             force_local_execution=force_local_execution,
         )
 
diff --git a/pyiron_workflow/node_library/pyiron_atomistics.py b/pyiron_workflow/node_library/pyiron_atomistics.py
index 24669e94..8b660268 100644
--- a/pyiron_workflow/node_library/pyiron_atomistics.py
+++ b/pyiron_workflow/node_library/pyiron_atomistics.py
@@ -1,6 +1,7 @@
 """
 Nodes wrapping a subset of pyiron_atomistics functionality
 """
+
 from __future__ import annotations
 
 from typing import Literal, Optional
@@ -126,10 +127,12 @@ def CalcMd(
     n_ionic_steps: int = 1000,
     n_print: int = 100,
     temperature: int | float = 300.0,
-    pressure: float
-    | tuple[float, float, float]
-    | tuple[float, float, float, float, float, float]
-    | None = None,
+    pressure: (
+        float
+        | tuple[float, float, float]
+        | tuple[float, float, float, float, float, float]
+        | None
+    ) = None,
 ):
     def calc_md(job, n_ionic_steps, n_print, temperature, pressure):
         job.calc_md(
@@ -169,10 +172,12 @@ def CalcMin(
     job: AtomisticGenericJob,
     n_ionic_steps: int = 1000,
     n_print: int = 100,
-    pressure: float
-    | tuple[float, float, float]
-    | tuple[float, float, float, float, float, float]
-    | None = None,
+    pressure: (
+        float
+        | tuple[float, float, float]
+        | tuple[float, float, float, float, float, float]
+        | None
+    ) = None,
 ):
     def calc_min(job, n_ionic_steps, n_print, pressure):
         job.calc_minimize(
diff --git a/pyiron_workflow/snippets/testcase.py b/pyiron_workflow/snippets/testcase.py
index 5d7c2b2a..5be6b89a 100644
--- a/pyiron_workflow/snippets/testcase.py
+++ b/pyiron_workflow/snippets/testcase.py
@@ -3,7 +3,6 @@
 numpy arrays (if numpy is available).
 """
 
-
 from abc import ABC
 from contextlib import redirect_stdout
 import doctest
@@ -30,7 +29,6 @@
 
 
 class PyironTestCase(unittest.TestCase, ABC):
-
     """
     Base class for all pyiron unit tets.