Fix issue #82

emle/models/_mace.py

@@ -34,8 +34,8 @@
 from typing import List, Dict, Optional
 
 from ._emle import EMLE as _EMLE
-from ._emle import _has_nnpops
 from ._utils import _get_neighbor_pairs
+from ._utils import _has_neighbor_pairs
 
 from torch import Tensor
 
@@ -172,8 +172,10 @@ def __init__(
             )
         if not _has_e3nn:
             raise ImportError("e3nn is required to compile the MACEmodel.")
-        if not _has_nnpops:
-            raise ImportError("NNPOps is required to use the MACEEMLE model.")
+        if not _has_neighbor_pairs:
+            raise ImportError(
+                "NNPOps.neighbors.getNeighborPairs is required to use the MACEEMLE model."
+            )
 
         if device is not None:
             if not isinstance(device, _torch.device):
@@ -805,8 +807,10 @@ def __init__(
             )
         if not _has_e3nn:
             raise ImportError("e3nn is required to compile the MACEmodel.")
-        if not _has_nnpops:
-            raise ImportError("NNPOps is required to use the MACEEMLE model.")
+        if not _has_neighbor_pairs:
+            raise ImportError(
+                "NNPOps.neighbors.getNeighborPairs is required to use the MACEEMLE model."
+            )
 
         if device is not None:
             if not isinstance(device, _torch.device):

emle/models/_utils.py

@@ -32,9 +32,11 @@
 from typing import Optional, Tuple
 
 try:
-    import NNPOps.neighbors.getNeighborPairs as _getNeighborPairs
+    from NNPOps.neighbors import getNeighborPairs as _getNeighborPairs
+
+    _has_neighbor_pairs = True
 except:
-    pass
+    _has_neighbor_pairs = False
 
 
 _DEPRECATED_ALPHA_MODES = {"species": "fixed", "reference": "flexible"}