update pyproject.toml and requirements.txt to adapt dgl-2.x

materialsvirtuallab · May 9, 2024 · e368af2 · e368af2
1 parent ff0433e
commit e368af2
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diff --git a/pyproject.toml b/pyproject.toml
@@ -50,10 +50,11 @@ classifiers = [
 ]
 dependencies = [
     "ase",
-    "dgl",
+    "dgl>=2.0.0",
     "pymatgen",
     "pytorch_lightning",
-    "torch",
+    "torch<=2.2.1",
+    "pydantic"
 ]
 version = "1.0.0"
 

diff --git a/requirements.txt b/requirements.txt
@@ -1,6 +1,7 @@
-dgl==1.1.3
+dgl==2.2.0
 torch==2.2.1
 pytorch_lightning==2.0.9
 pymatgen==2024.3.1
 ase==3.22.1
+pydantic
 boto3