separate mace, chgnet

Author: HojeChun

pyproject.toml

@@ -12,15 +12,12 @@ readme = "README.md"
 license = { text = "MIT" }
 dependencies = [
     "ase>=3.23.0",
-    "numpy >=1.26.4",
     "pymatgen>=2023.3.10",
     "rdkit",
     "scikit-learn",
     "scipy",
     "torch >= 2.2.0",
     "tqdm",
-    "mace-torch >=0.3.4, <=0.3.14",
-    "chgnet==0.3.5",
     "e3fp",
     "nglview",
     "ipykernel",
@@ -47,6 +44,14 @@ dev = [
     "pytest",
     "pytest-cov"
 ]
+default = [
+    "mace-torch >=0.3.4, <=0.3.14",
+    "chgnet==0.3.5",
+    "numpy >=1.26.4, <2",
+]
+others = [
+    "numpy >=2",
+]
 
 [project.urls]
 Homepage = "https://github.mit.edu/MLMat/NeuralForceField/"