From e6d1630228d9d1ad4750a55430104c081d02182a Mon Sep 17 00:00:00 2001
From: Ilyes Batatia <48651863+ilyes319@users.noreply.github.com>
Date: Tue, 23 Apr 2024 14:23:53 +0100
Subject: [PATCH] add GitPython to deps

---
 mace/tools/scripts_utils.py | 20 ++++++++++----------
 setup.cfg                   |  1 +
 2 files changed, 11 insertions(+), 10 deletions(-)

diff --git a/mace/tools/scripts_utils.py b/mace/tools/scripts_utils.py
index e72bfbb3..756627ad 100644
--- 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
index 843ac260..6ed557ed 100644
--- a/setup.cfg
+++ b/setup.cfg
@@ -26,6 +26,7 @@ install_requires =
     torchmetrics
     python-hostlist
     configargparse
+    GitPython
     # for plotting:
     matplotlib
     pandas