featomic-torch 0.6.2__tar.gz → 0.7.1__tar.gz

{featomic_torch-0.6.2/featomic_torch.egg-info → featomic_torch-0.7.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: featomic-torch
-Version: 0.6.2
+Version: 0.7.1
 Summary: TorchScript bindings to featomic
 Author: Guillaume Fraux, Philip Loche, Sergei Kliavinek, Kevin Kazuki Huguenin-Dumittan, Davide Tisi, Alexander Goscinski
 License-Expression: BSD-3-Clause
@@ -26,8 +26,9 @@ Description-Content-Type: text/x-rst
 License-File: LICENSE
 License-File: AUTHORS
 Requires-Dist: torch>=2.1
-Requires-Dist: metatensor-torch<0.8,>=0.7.6
-Requires-Dist: featomic<0.7.0,>=0.6.0
+Requires-Dist: metatensor-torch<0.9,>=0.8.0
+Requires-Dist: metatomic-torch<0.2,>=0.1.4
+Requires-Dist: featomic<0.7,>=0.6.2
 Dynamic: author
 Dynamic: license-file
 Dynamic: requires-dist

{featomic_torch-0.6.2 → featomic_torch-0.7.1}/build-backend/backend.py

@@ -42,6 +42,7 @@ def get_requires_for_build_wheel(config_settings=None):
     return defaults + [
         "cmake",
         TORCH_DEP,
-        "metatensor-torch >=0.7.0,<0.8.0",
+        "metatensor-torch >=0.8.0,<0.9",
+        "metatomic-torch >=0.1.4,<0.2",
         FEATOMIC_DEP,
     ]

{featomic_torch-0.6.2 → featomic_torch-0.7.1}/featomic/torch/_c_lib.py

@@ -5,6 +5,7 @@ import sys
 from collections import namedtuple
 
 import metatensor.torch
+import metatomic.torch
 import torch
 
 import featomic
@@ -128,9 +129,10 @@ def _check_dll(path):
 
 
 def _load_library():
-    # Load featomic & metatensor-torch shared library in the process first, to ensure
-    # the featomic_torch shared library can find them
+    # Load shared library for dependencies in the process first, to ensure the
+    # featomic_torch shared library can find them
     metatensor.torch._c_lib._load_library()
+    metatomic.torch._c_lib._load_library()
 
     featomic._c_lib._get_library()
 

{featomic_torch-0.6.2 → featomic_torch-0.7.1}/featomic/torch/calculator_base.py

@@ -2,9 +2,7 @@ from typing import List, Optional, Union
 
 import torch
 from metatensor.torch import Labels, TensorMap
-from metatensor.torch.atomistic import NeighborListOptions
-
-from .system import System
+from metatomic.torch import NeighborListOptions, System
 
 
 CalculatorHolder = torch.classes.featomic.CalculatorHolder

{featomic_torch-0.6.2 → featomic_torch-0.7.1}/featomic/torch/system.py

@@ -2,7 +2,7 @@ from typing import List, Optional, Sequence, overload
 
 import numpy as np
 import torch
-from metatensor.torch.atomistic import System
+from metatomic.torch import System
 
 import featomic
 
@@ -31,9 +31,9 @@ def systems_to_torch(
     cell_requires_grad=None,
 ) -> List[System]:
     """
-    Convert a arbitrary system to metatensor's atomistic
-    :py:class:`metatensor.torch.atomistic.System`, putting all the data in
-    :py:class:`torch.Tensor` and making the overall object compatible with TorchScript.
+    Convert a arbitrary system to :py:class:`metatomic.torch.System`, putting all the
+    data in :py:class:`torch.Tensor` and making the overall object compatible with
+    TorchScript.
 
     :param system: any system supported by featomic. If this is an iterable of system,
         this function converts them all and returns a list of converted systems.

{featomic_torch-0.6.2 → featomic_torch-0.7.1/featomic_torch.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: featomic-torch
-Version: 0.6.2
+Version: 0.7.1
 Summary: TorchScript bindings to featomic
 Author: Guillaume Fraux, Philip Loche, Sergei Kliavinek, Kevin Kazuki Huguenin-Dumittan, Davide Tisi, Alexander Goscinski
 License-Expression: BSD-3-Clause
@@ -26,8 +26,9 @@ Description-Content-Type: text/x-rst
 License-File: LICENSE
 License-File: AUTHORS
 Requires-Dist: torch>=2.1
-Requires-Dist: metatensor-torch<0.8,>=0.7.6
-Requires-Dist: featomic<0.7.0,>=0.6.0
+Requires-Dist: metatensor-torch<0.9,>=0.8.0
+Requires-Dist: metatomic-torch<0.2,>=0.1.4
+Requires-Dist: featomic<0.7,>=0.6.2
 Dynamic: author
 Dynamic: license-file
 Dynamic: requires-dist

{featomic_torch-0.6.2 → featomic_torch-0.7.1}/featomic_torch.egg-info/SOURCES.txt

@@ -2,7 +2,7 @@ AUTHORS
 LICENSE
 MANIFEST.in
 README.rst
-featomic-torch-cxx-0.6.2.tar.gz
+featomic-torch-cxx-0.7.1.tar.gz
 git_version_info
 pyproject.toml
 setup.py

featomic_torch-0.7.1/featomic_torch.egg-info/requires.txt

@@ -0,0 +1,4 @@
+torch>=2.1
+metatensor-torch<0.9,>=0.8.0
+metatomic-torch<0.2,>=0.1.4
+featomic<0.7,>=0.6.2

featomic_torch-0.7.1/git_version_info

@@ -0,0 +1,2 @@
+0
+git.7187e5e

{featomic_torch-0.6.2 → featomic_torch-0.7.1}/setup.py

@@ -36,6 +36,7 @@ class cmake_ext(build_ext):
     def run(self):
         import metatensor
         import metatensor.torch
+        import metatomic.torch
         import torch
 
         import featomic
@@ -51,6 +52,7 @@ class cmake_ext(build_ext):
             featomic.utils.cmake_prefix_path,
             metatensor.utils.cmake_prefix_path,
             metatensor.torch.utils.cmake_prefix_path,
+            metatomic.torch.utils.cmake_prefix_path,
             torch.utils.cmake_prefix_path,
         ]
 
@@ -344,7 +346,8 @@ if __name__ == "__main__":
 
     install_requires = [
         f"torch {torch_version}",
-        "metatensor-torch >=0.7.6,<0.8",
+        "metatensor-torch >=0.8.0,<0.9",
+        "metatomic-torch >=0.1.4,<0.2",
     ]
 
     # when packaging a sdist for release, we should never use local dependencies
@@ -354,7 +357,7 @@ if __name__ == "__main__":
         install_requires.append(f"featomic @ file://{FEATOMIC_PYTHON_SRC}")
     else:
         # we are building from a sdist/installing from a wheel
-        install_requires.append("featomic >=0.6.0,<0.7.0")
+        install_requires.append("featomic >=0.6.2,<0.7")
 
     setup(
         version=version,

featomic_torch-0.6.2/featomic_torch.egg-info/requires.txt

@@ -1,3 +0,0 @@
-torch>=2.1
-metatensor-torch<0.8,>=0.7.6
-featomic<0.7.0,>=0.6.0

featomic_torch-0.6.2/git_version_info

@@ -1,2 +0,0 @@
-0
-git.0a393b3