Merge pull request #389 from ACEsuit/develop

add GitPython to deps
ACEsuit · Apr 23, 2024 · ea296c6 · ea296c6
2 parents 64d8b35 + e6d1630
commit ea296c6
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Showing 2 changed files with 11 additions and 10 deletions.
diff --git a/mace/tools/scripts_utils.py b/mace/tools/scripts_utils.py
@@ -130,7 +130,7 @@ def print_git_commit():
         return commit
     except Exception as e:  # pylint: disable=W0703
         logging.info(f"Error accessing Git repository: {e}")
-        return None
+        return "None"
 
 
 def extract_config_mace_model(model: torch.nn.Module) -> Dict[str, Any]:
@@ -211,9 +211,9 @@ def convert_from_json_format(dict_input):
         dict_input["interaction_cls"]
         == "<class 'mace.modules.blocks.RealAgnosticResidualInteractionBlock'>"
     ):
-        dict_output[
-            "interaction_cls"
-        ] = modules.blocks.RealAgnosticResidualInteractionBlock
+        dict_output["interaction_cls"] = (
+            modules.blocks.RealAgnosticResidualInteractionBlock
+        )
     if (
         dict_input["interaction_cls"]
         == "<class 'mace.modules.blocks.RealAgnosticInteractionBlock'>"
@@ -223,16 +223,16 @@ def convert_from_json_format(dict_input):
         dict_input["interaction_cls_first"]
         == "<class 'mace.modules.blocks.RealAgnosticResidualInteractionBlock'>"
     ):
-        dict_output[
-            "interaction_cls_first"
-        ] = modules.blocks.RealAgnosticResidualInteractionBlock
+        dict_output["interaction_cls_first"] = (
+            modules.blocks.RealAgnosticResidualInteractionBlock
+        )
     if (
         dict_input["interaction_cls_first"]
         == "<class 'mace.modules.blocks.RealAgnosticInteractionBlock'>"
     ):
-        dict_output[
-            "interaction_cls_first"
-        ] = modules.blocks.RealAgnosticInteractionBlock
+        dict_output["interaction_cls_first"] = (
+            modules.blocks.RealAgnosticInteractionBlock
+        )
     dict_output["r_max"] = float(dict_input["r_max"])
     dict_output["num_bessel"] = int(dict_input["num_bessel"])
     dict_output["num_polynomial_cutoff"] = float(dict_input["num_polynomial_cutoff"])

diff --git a/setup.cfg b/setup.cfg
@@ -26,6 +26,7 @@ install_requires =
     torchmetrics
     python-hostlist
     configargparse
+    GitPython
     # for plotting:
     matplotlib
     pandas