temporary sympy fix

atomistic-machine-learning · Aug 28, 2024 · 646c2ce · 646c2ce
1 parent 4048479
commit 646c2ce
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Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/pyproject.toml b/pyproject.toml
@@ -22,7 +22,7 @@ license = { file="LICENSE" }
 requires-python = ">=3.10"
 dependencies = [
     "numpy>=2.0.0",
-    "sympy",
+    "sympy<=1.12",
     "ase>=3.21",
     "h5py",
     "pyyaml",
@@ -36,8 +36,8 @@ dependencies = [
     "dirsync",
     "torch-ema",
     "matscipy>=1.1.0",
-    "tensorboard",
-    "tensorboardX",
+    "tensorboard>=2.17.1",
+    "tensorboardX>=2.6.2.2",
     "tqdm",
     "pre-commit",
     "black",

diff --git a/src/schnetpack/nn/ops/so3.py b/src/schnetpack/nn/ops/so3.py
@@ -54,8 +54,8 @@ def generate_clebsch_gordan(lmax: int) -> torch.Tensor:
     """
     lidx, midx = sh_indices(lmax)
     cg = torch.zeros((lidx.shape[0], lidx.shape[0], lidx.shape[0]))
-    lidx = lidx
-    midx = midx
+    lidx = lidx.numpy()
+    midx = midx.numpy()
     for c1, (l1, m1) in enumerate(zip(lidx, midx)):
         for c2, (l2, m2) in enumerate(zip(lidx, midx)):
             for c3, (l3, m3) in enumerate(zip(lidx, midx)):