From fd329eed8d8125f31b9d776a9e8fd14861a58b04 Mon Sep 17 00:00:00 2001
From: Stefan Doerr <stefdoerr@gmail.com>
Date: Tue, 3 Dec 2024 13:35:54 +0200
Subject: [PATCH] skip test if nnpops is not installed

---
 tests/test_cfconv.py | 21 ++++++++++++++++-----
 1 file changed, 16 insertions(+), 5 deletions(-)

diff --git a/tests/test_cfconv.py b/tests/test_cfconv.py
index 20b3576a9..d21c7edf7 100644
--- a/tests/test_cfconv.py
+++ b/tests/test_cfconv.py
@@ -4,14 +4,16 @@
 
 import pytest
 from pytest import mark
-import torch as pt
-from torchmdnet.models.torchmd_gn import CFConv as RefCFConv
-from torchmdnet.models.utils import OptimizedDistance, GaussianSmearing, ShiftedSoftplus
 
-from NNPOps.CFConv import CFConv
-from NNPOps.CFConvNeighbors import CFConvNeighbors
+try:
+    import NNPOps
 
+    nnpops_available = True
+except ImportError:
+    nnpops_available = False
 
+
+@pytest.mark.skipif(not nnpops_available, reason="NNPOps not available")
 @mark.parametrize("device", ["cpu", "cuda"])
 @mark.parametrize(
     ["num_atoms", "num_filters", "num_rbfs"],
@@ -19,6 +21,15 @@
 )
 @mark.parametrize("cutoff_upper", [5.0, 10.0])
 def test_cfconv(device, num_atoms, num_filters, num_rbfs, cutoff_upper):
+    import torch as pt
+    from torchmdnet.models.torchmd_gn import CFConv as RefCFConv
+    from torchmdnet.models.utils import (
+        OptimizedDistance,
+        GaussianSmearing,
+        ShiftedSoftplus,
+    )
+    from NNPOps.CFConv import CFConv
+    from NNPOps.CFConvNeighbors import CFConvNeighbors
 
     if not pt.cuda.is_available() and device == "cuda":
         pytest.skip("No GPU")