metatensor · GardevoirX · May 4, 2026 · May 4, 2026 · May 4, 2026 · May 4, 2026
diff --git a/python/metatomic_ase/src/metatomic_ase/_neighbors.py b/python/metatomic_ase/src/metatomic_ase/_neighbors.py
@@ -134,6 +134,7 @@ def _compute_requested_neighbors_nvalchemi(systems, requested_options):
                 options.engine_cutoff("angstrom"),
                 cell=system.cell,
                 pbc=system.pbc,
+                max_neighbors=16384,
                 return_neighbor_list=True,
             )
             D = (

diff --git a/python/metatomic_torch/MANIFEST.in b/python/metatomic_torch/MANIFEST.in
@@ -8,3 +8,5 @@ include git_version_info
 include metatomic-torch-*.tar.gz
 
 recursive-include build-backend *.py
+
+recursive-include metatomic/torch/data *.npz
diff --git a/python/metatomic_torch/metatomic/torch/data/dftd3_parameters.npz b/python/metatomic_torch/metatomic/torch/data/dftd3_parameters.npz
diff --git a/python/metatomic_torch/metatomic/torch/dftd3.py b/python/metatomic_torch/metatomic/torch/dftd3.py
diff --git a/python/metatomic_torch/pyproject.toml b/python/metatomic_torch/pyproject.toml
@@ -62,6 +62,7 @@ filterwarnings = [
     "ignore:`torch.jit.script` is deprecated. Please switch to `torch.compile` or `torch.export`:DeprecationWarning",
     "ignore:`torch.jit.save` is deprecated. Please switch to `torch.export`:DeprecationWarning",
     "ignore:`torch.jit.load` is deprecated. Please switch to `torch.export`:DeprecationWarning",
+    "ignore:`torch.jit.script_method` is not supported in Python 3.14+:DeprecationWarning",
     "ignore:`torch.jit.script` is not supported in Python 3.14+:DeprecationWarning",
     "ignore:`torch.jit.save` is not supported in Python 3.14+:DeprecationWarning",
     "ignore:`torch.jit.load` is not supported in Python 3.14+:DeprecationWarning",

diff --git a/python/metatomic_torch/setup.py b/python/metatomic_torch/setup.py
@@ -350,6 +350,7 @@ def create_version_number(version):
                 "metatomic/torch/torch-*/bin/*",
                 "metatomic/torch/torch-*/lib/*",
                 "metatomic/torch/torch-*/include/*",
-            ]
+                "metatomic/torch/data/*",
+            ],
         },
     )
Original file line number	Diff line number	Diff line change
Expand Up		@@ -8,3 +8,5 @@ include git_version_info
		include metatomic-torch-*.tar.gz

		recursive-include build-backend *.py

		recursive-include metatomic/torch/data *.npz