featomic-torch 0.7.0__py3-none-win_amd64.whl → 0.7.2__py3-none-win_amd64.whl

featomic/torch/_build_versions.py

@@ -2,4 +2,4 @@
 
 
 # version of featomic used when compiling this package
-BUILD_FEATOMIC_VERSION = '0.6.1'
+BUILD_FEATOMIC_VERSION = '0.6.4'

featomic/torch/clebsch_gordan.py

@@ -6,7 +6,7 @@ from typing import Any
 import metatensor.torch
 import torch
 
-import featomic.utils
+import featomic.clebsch_gordan
 
 from .calculator_base import CalculatorModule
 from .system import System

featomic/torch/torch-2.3/include/featomic/torch/autograd.hpp

@@ -41,7 +41,7 @@ public:
         torch::Tensor all_positions,
         torch::Tensor all_cells,
         torch::IValue systems_start,
-        metatensor_torch::TorchTensorBlock block
+        metatensor_torch::TensorBlock block
     );
 
     /// Backward step: get the gradients of some quantity `A` w.r.t. the outputs

featomic/torch/torch-2.3/include/featomic/torch/calculator.hpp

@@ -100,7 +100,7 @@ public:
     }
 
     /// Run a calculation for the given `systems` using the given options.
-    metatensor_torch::TorchTensorMap compute(
+    metatensor_torch::TensorMap compute(
         std::vector<metatomic_torch::System> systems,
         TorchCalculatorOptions options = {}
     );
@@ -123,9 +123,9 @@ private:
 /// contain `"cell"` gradients.
 ///
 /// `forward_gradients` controls which gradients are left inside the TensorMap.
-metatensor_torch::TorchTensorMap FEATOMIC_TORCH_EXPORT register_autograd(
+metatensor_torch::TensorMap FEATOMIC_TORCH_EXPORT register_autograd(
     std::vector<metatomic_torch::System> systems,
-    metatensor_torch::TorchTensorMap precomputed,
+    metatensor_torch::TensorMap precomputed,
     std::vector<std::string> forward_gradients
 );
 

featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-config-version.cmake

@@ -10,13 +10,13 @@
 # The variable CVF_VERSION must be set before calling configure_file().
 
 
-set(PACKAGE_VERSION "0.7.0")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.0" MATCHES "^([0-9]+)\\.([0-9]+)")
+  if("0.7.2" MATCHES "^([0-9]+)\\.([0-9]+)")
     set(CVF_VERSION_MAJOR "${CMAKE_MATCH_1}")
     set(CVF_VERSION_MINOR "${CMAKE_MATCH_2}")
 
@@ -27,7 +27,7 @@ else()
       string(REGEX REPLACE "^0+" "" CVF_VERSION_MINOR "${CVF_VERSION_MINOR}")
     endif()
   else()
-    set(CVF_VERSION_MAJOR "0.7.0")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-config.cmake

@@ -5,7 +5,7 @@ set(REQUIRED_FEATOMIC_VERSION 0.6)
 find_package(featomic ${REQUIRED_FEATOMIC_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatensor_torch as the main CMakeLists.txt
-set(REQUIRED_METATENSOR_TORCH_VERSION 0.7.6)
+set(REQUIRED_METATENSOR_TORCH_VERSION 0.8.0)
 find_package(metatensor_torch ${REQUIRED_METATENSOR_TORCH_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatomic_torch as the main CMakeLists.txt

featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-targets.cmake

@@ -7,7 +7,7 @@ if(CMAKE_VERSION VERSION_LESS "2.8.12")
    message(FATAL_ERROR "CMake >= 2.8.12 required")
 endif()
 cmake_policy(PUSH)
-cmake_policy(VERSION 2.8.12...3.30)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

featomic/torch/torch-2.4/include/featomic/torch/autograd.hpp

@@ -41,7 +41,7 @@ public:
         torch::Tensor all_positions,
         torch::Tensor all_cells,
         torch::IValue systems_start,
-        metatensor_torch::TorchTensorBlock block
+        metatensor_torch::TensorBlock block
     );
 
     /// Backward step: get the gradients of some quantity `A` w.r.t. the outputs

featomic/torch/torch-2.4/include/featomic/torch/calculator.hpp

@@ -100,7 +100,7 @@ public:
     }
 
     /// Run a calculation for the given `systems` using the given options.
-    metatensor_torch::TorchTensorMap compute(
+    metatensor_torch::TensorMap compute(
         std::vector<metatomic_torch::System> systems,
         TorchCalculatorOptions options = {}
     );
@@ -123,9 +123,9 @@ private:
 /// contain `"cell"` gradients.
 ///
 /// `forward_gradients` controls which gradients are left inside the TensorMap.
-metatensor_torch::TorchTensorMap FEATOMIC_TORCH_EXPORT register_autograd(
+metatensor_torch::TensorMap FEATOMIC_TORCH_EXPORT register_autograd(
     std::vector<metatomic_torch::System> systems,
-    metatensor_torch::TorchTensorMap precomputed,
+    metatensor_torch::TensorMap precomputed,
     std::vector<std::string> forward_gradients
 );
 

featomic/torch/torch-2.4/lib/cmake/featomic_torch/featomic_torch-config-version.cmake

@@ -10,13 +10,13 @@
 # The variable CVF_VERSION must be set before calling configure_file().
 
 
-set(PACKAGE_VERSION "0.7.0")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.0" MATCHES "^([0-9]+)\\.([0-9]+)")
+  if("0.7.2" MATCHES "^([0-9]+)\\.([0-9]+)")
     set(CVF_VERSION_MAJOR "${CMAKE_MATCH_1}")
     set(CVF_VERSION_MINOR "${CMAKE_MATCH_2}")
 
@@ -27,7 +27,7 @@ else()
       string(REGEX REPLACE "^0+" "" CVF_VERSION_MINOR "${CVF_VERSION_MINOR}")
     endif()
   else()
-    set(CVF_VERSION_MAJOR "0.7.0")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

featomic/torch/torch-2.4/lib/cmake/featomic_torch/featomic_torch-config.cmake

@@ -5,7 +5,7 @@ set(REQUIRED_FEATOMIC_VERSION 0.6)
 find_package(featomic ${REQUIRED_FEATOMIC_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatensor_torch as the main CMakeLists.txt
-set(REQUIRED_METATENSOR_TORCH_VERSION 0.7.6)
+set(REQUIRED_METATENSOR_TORCH_VERSION 0.8.0)
 find_package(metatensor_torch ${REQUIRED_METATENSOR_TORCH_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatomic_torch as the main CMakeLists.txt

featomic/torch/torch-2.4/lib/cmake/featomic_torch/featomic_torch-targets.cmake

@@ -7,7 +7,7 @@ if(CMAKE_VERSION VERSION_LESS "2.8.12")
    message(FATAL_ERROR "CMake >= 2.8.12 required")
 endif()
 cmake_policy(PUSH)
-cmake_policy(VERSION 2.8.12...3.30)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

featomic/torch/torch-2.5/include/featomic/torch/autograd.hpp

@@ -41,7 +41,7 @@ public:
         torch::Tensor all_positions,
         torch::Tensor all_cells,
         torch::IValue systems_start,
-        metatensor_torch::TorchTensorBlock block
+        metatensor_torch::TensorBlock block
     );
 
     /// Backward step: get the gradients of some quantity `A` w.r.t. the outputs

featomic/torch/torch-2.5/include/featomic/torch/calculator.hpp

@@ -100,7 +100,7 @@ public:
     }
 
     /// Run a calculation for the given `systems` using the given options.
-    metatensor_torch::TorchTensorMap compute(
+    metatensor_torch::TensorMap compute(
         std::vector<metatomic_torch::System> systems,
         TorchCalculatorOptions options = {}
     );
@@ -123,9 +123,9 @@ private:
 /// contain `"cell"` gradients.
 ///
 /// `forward_gradients` controls which gradients are left inside the TensorMap.
-metatensor_torch::TorchTensorMap FEATOMIC_TORCH_EXPORT register_autograd(
+metatensor_torch::TensorMap FEATOMIC_TORCH_EXPORT register_autograd(
     std::vector<metatomic_torch::System> systems,
-    metatensor_torch::TorchTensorMap precomputed,
+    metatensor_torch::TensorMap precomputed,
     std::vector<std::string> forward_gradients
 );
 

featomic/torch/torch-2.5/lib/cmake/featomic_torch/featomic_torch-config-version.cmake

@@ -10,13 +10,13 @@
 # The variable CVF_VERSION must be set before calling configure_file().
 
 
-set(PACKAGE_VERSION "0.7.0")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.0" MATCHES "^([0-9]+)\\.([0-9]+)")
+  if("0.7.2" MATCHES "^([0-9]+)\\.([0-9]+)")
     set(CVF_VERSION_MAJOR "${CMAKE_MATCH_1}")
     set(CVF_VERSION_MINOR "${CMAKE_MATCH_2}")
 
@@ -27,7 +27,7 @@ else()
       string(REGEX REPLACE "^0+" "" CVF_VERSION_MINOR "${CVF_VERSION_MINOR}")
     endif()
   else()
-    set(CVF_VERSION_MAJOR "0.7.0")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

featomic/torch/torch-2.5/lib/cmake/featomic_torch/featomic_torch-config.cmake

@@ -5,7 +5,7 @@ set(REQUIRED_FEATOMIC_VERSION 0.6)
 find_package(featomic ${REQUIRED_FEATOMIC_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatensor_torch as the main CMakeLists.txt
-set(REQUIRED_METATENSOR_TORCH_VERSION 0.7.6)
+set(REQUIRED_METATENSOR_TORCH_VERSION 0.8.0)
 find_package(metatensor_torch ${REQUIRED_METATENSOR_TORCH_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatomic_torch as the main CMakeLists.txt

featomic/torch/torch-2.5/lib/cmake/featomic_torch/featomic_torch-targets.cmake

@@ -7,7 +7,7 @@ if(CMAKE_VERSION VERSION_LESS "2.8.12")
    message(FATAL_ERROR "CMake >= 2.8.12 required")
 endif()
 cmake_policy(PUSH)
-cmake_policy(VERSION 2.8.12...3.30)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

featomic/torch/torch-2.6/include/featomic/torch/autograd.hpp

@@ -41,7 +41,7 @@ public:
         torch::Tensor all_positions,
         torch::Tensor all_cells,
         torch::IValue systems_start,
-        metatensor_torch::TorchTensorBlock block
+        metatensor_torch::TensorBlock block
     );
 
     /// Backward step: get the gradients of some quantity `A` w.r.t. the outputs

featomic/torch/torch-2.6/include/featomic/torch/calculator.hpp

@@ -100,7 +100,7 @@ public:
     }
 
     /// Run a calculation for the given `systems` using the given options.
-    metatensor_torch::TorchTensorMap compute(
+    metatensor_torch::TensorMap compute(
         std::vector<metatomic_torch::System> systems,
         TorchCalculatorOptions options = {}
     );
@@ -123,9 +123,9 @@ private:
 /// contain `"cell"` gradients.
 ///
 /// `forward_gradients` controls which gradients are left inside the TensorMap.
-metatensor_torch::TorchTensorMap FEATOMIC_TORCH_EXPORT register_autograd(
+metatensor_torch::TensorMap FEATOMIC_TORCH_EXPORT register_autograd(
     std::vector<metatomic_torch::System> systems,
-    metatensor_torch::TorchTensorMap precomputed,
+    metatensor_torch::TensorMap precomputed,
     std::vector<std::string> forward_gradients
 );
 

featomic/torch/torch-2.6/lib/cmake/featomic_torch/featomic_torch-config-version.cmake

@@ -10,13 +10,13 @@
 # The variable CVF_VERSION must be set before calling configure_file().
 
 
-set(PACKAGE_VERSION "0.7.0")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.0" MATCHES "^([0-9]+)\\.([0-9]+)")
+  if("0.7.2" MATCHES "^([0-9]+)\\.([0-9]+)")
     set(CVF_VERSION_MAJOR "${CMAKE_MATCH_1}")
     set(CVF_VERSION_MINOR "${CMAKE_MATCH_2}")
 
@@ -27,7 +27,7 @@ else()
       string(REGEX REPLACE "^0+" "" CVF_VERSION_MINOR "${CVF_VERSION_MINOR}")
     endif()
   else()
-    set(CVF_VERSION_MAJOR "0.7.0")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

featomic/torch/torch-2.6/lib/cmake/featomic_torch/featomic_torch-config.cmake

@@ -5,7 +5,7 @@ set(REQUIRED_FEATOMIC_VERSION 0.6)
 find_package(featomic ${REQUIRED_FEATOMIC_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatensor_torch as the main CMakeLists.txt
-set(REQUIRED_METATENSOR_TORCH_VERSION 0.7.6)
+set(REQUIRED_METATENSOR_TORCH_VERSION 0.8.0)
 find_package(metatensor_torch ${REQUIRED_METATENSOR_TORCH_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatomic_torch as the main CMakeLists.txt

featomic/torch/torch-2.6/lib/cmake/featomic_torch/featomic_torch-targets.cmake

@@ -7,7 +7,7 @@ if(CMAKE_VERSION VERSION_LESS "2.8.12")
    message(FATAL_ERROR "CMake >= 2.8.12 required")
 endif()
 cmake_policy(PUSH)
-cmake_policy(VERSION 2.8.12...3.30)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

featomic/torch/torch-2.7/include/featomic/torch/autograd.hpp

@@ -41,7 +41,7 @@ public:
         torch::Tensor all_positions,
         torch::Tensor all_cells,
         torch::IValue systems_start,
-        metatensor_torch::TorchTensorBlock block
+        metatensor_torch::TensorBlock block
     );
 
     /// Backward step: get the gradients of some quantity `A` w.r.t. the outputs

featomic/torch/torch-2.7/include/featomic/torch/calculator.hpp

@@ -100,7 +100,7 @@ public:
     }
 
     /// Run a calculation for the given `systems` using the given options.
-    metatensor_torch::TorchTensorMap compute(
+    metatensor_torch::TensorMap compute(
         std::vector<metatomic_torch::System> systems,
         TorchCalculatorOptions options = {}
     );
@@ -123,9 +123,9 @@ private:
 /// contain `"cell"` gradients.
 ///
 /// `forward_gradients` controls which gradients are left inside the TensorMap.
-metatensor_torch::TorchTensorMap FEATOMIC_TORCH_EXPORT register_autograd(
+metatensor_torch::TensorMap FEATOMIC_TORCH_EXPORT register_autograd(
     std::vector<metatomic_torch::System> systems,
-    metatensor_torch::TorchTensorMap precomputed,
+    metatensor_torch::TensorMap precomputed,
     std::vector<std::string> forward_gradients
 );
 

featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-config-version.cmake

@@ -10,13 +10,13 @@
 # The variable CVF_VERSION must be set before calling configure_file().
 
 
-set(PACKAGE_VERSION "0.7.0")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.0" MATCHES "^([0-9]+)\\.([0-9]+)")
+  if("0.7.2" MATCHES "^([0-9]+)\\.([0-9]+)")
     set(CVF_VERSION_MAJOR "${CMAKE_MATCH_1}")
     set(CVF_VERSION_MINOR "${CMAKE_MATCH_2}")
 
@@ -27,7 +27,7 @@ else()
       string(REGEX REPLACE "^0+" "" CVF_VERSION_MINOR "${CVF_VERSION_MINOR}")
     endif()
   else()
-    set(CVF_VERSION_MAJOR "0.7.0")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-config.cmake

@@ -5,7 +5,7 @@ set(REQUIRED_FEATOMIC_VERSION 0.6)
 find_package(featomic ${REQUIRED_FEATOMIC_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatensor_torch as the main CMakeLists.txt
-set(REQUIRED_METATENSOR_TORCH_VERSION 0.7.6)
+set(REQUIRED_METATENSOR_TORCH_VERSION 0.8.0)
 find_package(metatensor_torch ${REQUIRED_METATENSOR_TORCH_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatomic_torch as the main CMakeLists.txt
@@ -14,7 +14,7 @@ find_package(metatomic_torch ${REQUIRED_METATOMIC_TORCH_VERSION} CONFIG REQUIRED
 
 # We can only load metatensorfeatomic_torch with the same minor version of Torch
 # that was used to compile it (and is stored in BUILD_TORCH_VERSION)
-set(BUILD_TORCH_VERSION 2.7.0)
+set(BUILD_TORCH_VERSION 2.7.1)
 set(BUILD_TORCH_MAJOR 2)
 set(BUILD_TORCH_MINOR 7)
 

featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-targets.cmake

@@ -7,7 +7,7 @@ if(CMAKE_VERSION VERSION_LESS "2.8.12")
    message(FATAL_ERROR "CMake >= 2.8.12 required")
 endif()
 cmake_policy(PUSH)
-cmake_policy(VERSION 2.8.12...3.30)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

featomic/torch/{torch-2.2 → torch-2.8}/include/featomic/torch/autograd.hpp

@@ -41,7 +41,7 @@ public:
         torch::Tensor all_positions,
         torch::Tensor all_cells,
         torch::IValue systems_start,
-        metatensor_torch::TorchTensorBlock block
+        metatensor_torch::TensorBlock block
     );
 
     /// Backward step: get the gradients of some quantity `A` w.r.t. the outputs

featomic/torch/{torch-2.2 → torch-2.8}/include/featomic/torch/calculator.hpp

@@ -100,7 +100,7 @@ public:
     }
 
     /// Run a calculation for the given `systems` using the given options.
-    metatensor_torch::TorchTensorMap compute(
+    metatensor_torch::TensorMap compute(
         std::vector<metatomic_torch::System> systems,
         TorchCalculatorOptions options = {}
     );
@@ -123,9 +123,9 @@ private:
 /// contain `"cell"` gradients.
 ///
 /// `forward_gradients` controls which gradients are left inside the TensorMap.
-metatensor_torch::TorchTensorMap FEATOMIC_TORCH_EXPORT register_autograd(
+metatensor_torch::TensorMap FEATOMIC_TORCH_EXPORT register_autograd(
     std::vector<metatomic_torch::System> systems,
-    metatensor_torch::TorchTensorMap precomputed,
+    metatensor_torch::TensorMap precomputed,
     std::vector<std::string> forward_gradients
 );
 

featomic/torch/{torch-2.2 → torch-2.8}/lib/cmake/featomic_torch/featomic_torch-config-version.cmake

@@ -10,13 +10,13 @@
 # The variable CVF_VERSION must be set before calling configure_file().
 
 
-set(PACKAGE_VERSION "0.7.0")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.0" MATCHES "^([0-9]+)\\.([0-9]+)")
+  if("0.7.2" MATCHES "^([0-9]+)\\.([0-9]+)")
     set(CVF_VERSION_MAJOR "${CMAKE_MATCH_1}")
     set(CVF_VERSION_MINOR "${CMAKE_MATCH_2}")
 
@@ -27,7 +27,7 @@ else()
       string(REGEX REPLACE "^0+" "" CVF_VERSION_MINOR "${CVF_VERSION_MINOR}")
     endif()
   else()
-    set(CVF_VERSION_MAJOR "0.7.0")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

featomic/torch/{torch-2.1 → torch-2.8}/lib/cmake/featomic_torch/featomic_torch-config.cmake

@@ -5,7 +5,7 @@ set(REQUIRED_FEATOMIC_VERSION 0.6)
 find_package(featomic ${REQUIRED_FEATOMIC_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatensor_torch as the main CMakeLists.txt
-set(REQUIRED_METATENSOR_TORCH_VERSION 0.7.6)
+set(REQUIRED_METATENSOR_TORCH_VERSION 0.8.0)
 find_package(metatensor_torch ${REQUIRED_METATENSOR_TORCH_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatomic_torch as the main CMakeLists.txt
@@ -14,9 +14,9 @@ find_package(metatomic_torch ${REQUIRED_METATOMIC_TORCH_VERSION} CONFIG REQUIRED
 
 # We can only load metatensorfeatomic_torch with the same minor version of Torch
 # that was used to compile it (and is stored in BUILD_TORCH_VERSION)
-set(BUILD_TORCH_VERSION 2.1.2)
+set(BUILD_TORCH_VERSION 2.8.0)
 set(BUILD_TORCH_MAJOR 2)
-set(BUILD_TORCH_MINOR 1)
+set(BUILD_TORCH_MINOR 8)
 
 find_package(Torch ${BUILD_TORCH_VERSION} REQUIRED)
 

featomic/torch/{torch-2.1 → torch-2.8}/lib/cmake/featomic_torch/featomic_torch-targets.cmake

@@ -7,7 +7,7 @@ if(CMAKE_VERSION VERSION_LESS "2.8.12")
    message(FATAL_ERROR "CMake >= 2.8.12 required")
 endif()
 cmake_policy(PUSH)
-cmake_policy(VERSION 2.8.12...3.30)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

featomic/torch/{torch-2.1 → torch-2.9}/include/featomic/torch/autograd.hpp

@@ -41,7 +41,7 @@ public:
         torch::Tensor all_positions,
         torch::Tensor all_cells,
         torch::IValue systems_start,
-        metatensor_torch::TorchTensorBlock block
+        metatensor_torch::TensorBlock block
     );
 
     /// Backward step: get the gradients of some quantity `A` w.r.t. the outputs

featomic/torch/{torch-2.1 → torch-2.9}/include/featomic/torch/calculator.hpp

@@ -100,7 +100,7 @@ public:
     }
 
     /// Run a calculation for the given `systems` using the given options.
-    metatensor_torch::TorchTensorMap compute(
+    metatensor_torch::TensorMap compute(
         std::vector<metatomic_torch::System> systems,
         TorchCalculatorOptions options = {}
     );
@@ -123,9 +123,9 @@ private:
 /// contain `"cell"` gradients.
 ///
 /// `forward_gradients` controls which gradients are left inside the TensorMap.
-metatensor_torch::TorchTensorMap FEATOMIC_TORCH_EXPORT register_autograd(
+metatensor_torch::TensorMap FEATOMIC_TORCH_EXPORT register_autograd(
     std::vector<metatomic_torch::System> systems,
-    metatensor_torch::TorchTensorMap precomputed,
+    metatensor_torch::TensorMap precomputed,
     std::vector<std::string> forward_gradients
 );
 

featomic/torch/{torch-2.1 → torch-2.9}/lib/cmake/featomic_torch/featomic_torch-config-version.cmake

@@ -10,13 +10,13 @@
 # The variable CVF_VERSION must be set before calling configure_file().
 
 
-set(PACKAGE_VERSION "0.7.0")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.0" MATCHES "^([0-9]+)\\.([0-9]+)")
+  if("0.7.2" MATCHES "^([0-9]+)\\.([0-9]+)")
     set(CVF_VERSION_MAJOR "${CMAKE_MATCH_1}")
     set(CVF_VERSION_MINOR "${CMAKE_MATCH_2}")
 
@@ -27,7 +27,7 @@ else()
       string(REGEX REPLACE "^0+" "" CVF_VERSION_MINOR "${CVF_VERSION_MINOR}")
     endif()
   else()
-    set(CVF_VERSION_MAJOR "0.7.0")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

featomic/torch/{torch-2.2 → torch-2.9}/lib/cmake/featomic_torch/featomic_torch-config.cmake

@@ -5,7 +5,7 @@ set(REQUIRED_FEATOMIC_VERSION 0.6)
 find_package(featomic ${REQUIRED_FEATOMIC_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatensor_torch as the main CMakeLists.txt
-set(REQUIRED_METATENSOR_TORCH_VERSION 0.7.6)
+set(REQUIRED_METATENSOR_TORCH_VERSION 0.8.0)
 find_package(metatensor_torch ${REQUIRED_METATENSOR_TORCH_VERSION} CONFIG REQUIRED)
 
 # use the same version for metatomic_torch as the main CMakeLists.txt
@@ -14,9 +14,9 @@ find_package(metatomic_torch ${REQUIRED_METATOMIC_TORCH_VERSION} CONFIG REQUIRED
 
 # We can only load metatensorfeatomic_torch with the same minor version of Torch
 # that was used to compile it (and is stored in BUILD_TORCH_VERSION)
-set(BUILD_TORCH_VERSION 2.2.2)
+set(BUILD_TORCH_VERSION 2.9.1)
 set(BUILD_TORCH_MAJOR 2)
-set(BUILD_TORCH_MINOR 2)
+set(BUILD_TORCH_MINOR 9)
 
 find_package(Torch ${BUILD_TORCH_VERSION} REQUIRED)
 

featomic/torch/{torch-2.2 → torch-2.9}/lib/cmake/featomic_torch/featomic_torch-targets.cmake

@@ -7,7 +7,7 @@ if(CMAKE_VERSION VERSION_LESS "2.8.12")
    message(FATAL_ERROR "CMake >= 2.8.12 required")
 endif()
 cmake_policy(PUSH)
-cmake_policy(VERSION 2.8.12...3.30)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

{featomic_torch-0.7.0.dist-info → featomic_torch-0.7.2.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: featomic-torch
-Version: 0.7.0
+Version: 0.7.2
 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
@@ -21,14 +21,14 @@ Classifier: Topic :: Scientific/Engineering :: Chemistry
 Classifier: Topic :: Scientific/Engineering :: Physics
 Classifier: Topic :: Software Development :: Libraries
 Classifier: Topic :: Software Development :: Libraries :: Python Modules
-Requires-Python: >=3.9
+Requires-Python: >=3.10
 Description-Content-Type: text/x-rst
 License-File: LICENSE
 License-File: AUTHORS
-Requires-Dist: torch >=2.1,<2.8
-Requires-Dist: metatensor-torch<0.8,>=0.7.6
-Requires-Dist: metatomic-torch<0.2,>=0.1.1
-Requires-Dist: featomic<0.7.0,>=0.6.0
+Requires-Dist: torch >=2.3,<2.10
+Requires-Dist: metatensor-torch<0.9,>=0.8.0
+Requires-Dist: metatomic-torch<0.2,>=0.1.4
+Requires-Dist: featomic<0.7,>=0.6.3
 Dynamic: author
 Dynamic: license-file
 Dynamic: requires-dist

featomic_torch-0.7.2.dist-info/RECORD

@@ -0,0 +1,91 @@
+featomic/torch/__init__.py,sha256=kseeHpjGIT26zaBFcyzdk829Vxi9d_7YpFRbm1SvH0s,943
+featomic/torch/_build_versions.py,sha256=4B14hEq8nr4hZjeJzK2bsHVI8DF73tGndNeg0GZYtqU,129
+featomic/torch/_c_lib.py,sha256=I8TtUKVce_SviClBMoUH8RFyDsCp-MBIBxre-Mly2gY,4643
+featomic/torch/calculator_base.py,sha256=JpdYUyviO0kJGYo1TrfyJemRyUl46ga9wgXk17UaNnE,6987
+featomic/torch/calculators.py,sha256=0nR85JfjqvyIZacwcmRlyniR-9SAukJTLAFugFR0gaQ,2040
+featomic/torch/clebsch_gordan.py,sha256=0ztLbnMB2OwjYGj641lBKZmVP2sodOZoFOBc6UK1B_g,3124
+featomic/torch/system.py,sha256=0META2Q3JVQ2EhJFDmtK8DQmmVxnKktI1mNipfdkCjg,2887
+featomic/torch/utils.py,sha256=2Dh8B4UqD2rH49KVGe_98TPhfrESjDQMT8fdIKWmZzo,416
+featomic/torch/torch-2.3/bin/featomic_torch.dll,sha256=59rlbExdrtGBw5viaFHBmkfSSS89PJEc4IkFZZo0xJI,464896
+featomic/torch/torch-2.3/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
+featomic/torch/torch-2.3/include/featomic/torch/autograd.hpp,sha256=dLed0atbDPt_iKoYwuTgkPbRn2_1LIQwoeDvHFYMfZA,2366
+featomic/torch/torch-2.3/include/featomic/torch/calculator.hpp,sha256=93kT5FfTMp8XR14_FN4pe5CpBkVf3pLBrpDebchw02I,4536
+featomic/torch/torch-2.3/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
+featomic/torch/torch-2.3/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
+featomic/torch/torch-2.3/lib/featomic_torch.lib,sha256=mpSO852jB0jFhgAqGroskiTQTGyGZcyeS99RQ2Jkto8,72454
+featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=lXBDkCLvaI2_8xaCieI_yhd3aWEaQ2N7Czn8YLJDGQM,3760
+featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=Bd9Y6bq572HjQzM6ucUiMLCKzbzDmVj4e7QVnz3oHp8,1428
+featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
+featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=qMR26A9GFjWJesG4HrxPYomz7hEgTvuqegK2RJzGrfY,4363
+featomic/torch/torch-2.4/bin/featomic_torch.dll,sha256=RMel19ZIsNaY1ZLLxcBOk7OrGe-JysJvg3i6tdYye7I,483840
+featomic/torch/torch-2.4/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
+featomic/torch/torch-2.4/include/featomic/torch/autograd.hpp,sha256=dLed0atbDPt_iKoYwuTgkPbRn2_1LIQwoeDvHFYMfZA,2366
+featomic/torch/torch-2.4/include/featomic/torch/calculator.hpp,sha256=93kT5FfTMp8XR14_FN4pe5CpBkVf3pLBrpDebchw02I,4536
+featomic/torch/torch-2.4/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
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+featomic/torch/torch-2.4/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=ngrU96QgHyvnB6uFqqiWx6MYSWL0aMy23sasMsv67Jc,1428
+featomic/torch/torch-2.4/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
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+featomic/torch/torch-2.5/bin/featomic_torch.dll,sha256=SRl0UBinnyr4CoQDOySwoNnJJ0hU17pPRhjth76Mps4,484352
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+featomic/torch/torch-2.5/include/featomic/torch/calculator.hpp,sha256=93kT5FfTMp8XR14_FN4pe5CpBkVf3pLBrpDebchw02I,4536
+featomic/torch/torch-2.5/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
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+featomic/torch/torch-2.5/lib/featomic_torch.lib,sha256=mpSO852jB0jFhgAqGroskiTQTGyGZcyeS99RQ2Jkto8,72454
+featomic/torch/torch-2.5/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=lXBDkCLvaI2_8xaCieI_yhd3aWEaQ2N7Czn8YLJDGQM,3760
+featomic/torch/torch-2.5/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=SVCmqZC_52jZM3IeWaqEfftL7iXm5I8iGhOcN82QZxM,1428
+featomic/torch/torch-2.5/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
+featomic/torch/torch-2.5/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=qMR26A9GFjWJesG4HrxPYomz7hEgTvuqegK2RJzGrfY,4363
+featomic/torch/torch-2.6/bin/featomic_torch.dll,sha256=HDUSHakA8Rczc5IVLv3HjLDbZXw4GdwWLk3Pkpu5F1k,483328
+featomic/torch/torch-2.6/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
+featomic/torch/torch-2.6/include/featomic/torch/autograd.hpp,sha256=dLed0atbDPt_iKoYwuTgkPbRn2_1LIQwoeDvHFYMfZA,2366
+featomic/torch/torch-2.6/include/featomic/torch/calculator.hpp,sha256=93kT5FfTMp8XR14_FN4pe5CpBkVf3pLBrpDebchw02I,4536
+featomic/torch/torch-2.6/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
+featomic/torch/torch-2.6/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
+featomic/torch/torch-2.6/lib/featomic_torch.lib,sha256=bsjzvEavulX8-jrWONQ7dHtXC3vjPHViF9FH3AwfrB4,72454
+featomic/torch/torch-2.6/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=lXBDkCLvaI2_8xaCieI_yhd3aWEaQ2N7Czn8YLJDGQM,3760
+featomic/torch/torch-2.6/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=kQP4kmQ0z7-vaJOnODQvqCpr1ihdzQ-hx8yv7Puhjxc,1428
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+featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=lXBDkCLvaI2_8xaCieI_yhd3aWEaQ2N7Czn8YLJDGQM,3760
+featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=_DyPSw0pZ82CQVjKgIXEKZmpSiEvuGTlQsZamHasBuU,1428
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+featomic/torch/torch-2.8/bin/featomic_torch.dll,sha256=ZSl5inHFuM4pSFqJ6EyfEGbqN7AzKJEzF3So9b6Zwkg,566784
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+featomic/torch/torch-2.8/include/featomic/torch/calculator.hpp,sha256=93kT5FfTMp8XR14_FN4pe5CpBkVf3pLBrpDebchw02I,4536
+featomic/torch/torch-2.8/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
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+featomic/torch/torch-2.8/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=lXBDkCLvaI2_8xaCieI_yhd3aWEaQ2N7Czn8YLJDGQM,3760
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+featomic/torch/torch-2.9/include/featomic/torch/calculator.hpp,sha256=93kT5FfTMp8XR14_FN4pe5CpBkVf3pLBrpDebchw02I,4536
+featomic/torch/torch-2.9/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
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+featomic_torch-0.7.2.dist-info/licenses/AUTHORS,sha256=ZRgnD7LtwoLGI7JzMOuCUuN29E4O7dPQWvIwAGix-DU,115
+featomic_torch-0.7.2.dist-info/licenses/LICENSE,sha256=OiYybUy-uWydIsPg8ZhOAG7SmQzG0uAvG0n7-RtNWts,1534
+featomic_torch-0.7.2.dist-info/METADATA,sha256=4ttsBFA5aum8-cZS2wlnCZaQJq5h7-ktyF22c4P7Lro,1686
+featomic_torch-0.7.2.dist-info/WHEEL,sha256=BlXG8Qkq_mCTKpY-toCToAQAmGPE73xawTOhla8_4pE,98
+featomic_torch-0.7.2.dist-info/top_level.txt,sha256=I3OeQQ47Chc163yvQQ5r_M6DZgM3VUNGOMr_72psMc4,24
+featomic_torch-0.7.2.dist-info/RECORD,,

{featomic_torch-0.7.0.dist-info → featomic_torch-0.7.2.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: setuptools (80.8.0)
+Generator: setuptools (80.9.0)
 Root-Is-Purelib: false
 Tag: py3-none-win_amd64
 

featomic_torch-0.7.0.dist-info/RECORD

@@ -1,91 +0,0 @@
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-featomic/torch/_build_versions.py,sha256=FVxiQiWlUfCzJAHfu-Z0XC34oo22M5bhdTJnP7WBoK0,129
-featomic/torch/_c_lib.py,sha256=I8TtUKVce_SviClBMoUH8RFyDsCp-MBIBxre-Mly2gY,4643
-featomic/torch/calculator_base.py,sha256=JpdYUyviO0kJGYo1TrfyJemRyUl46ga9wgXk17UaNnE,6987
-featomic/torch/calculators.py,sha256=0nR85JfjqvyIZacwcmRlyniR-9SAukJTLAFugFR0gaQ,2040
-featomic/torch/clebsch_gordan.py,sha256=bExbtrK0oqVLADUmS0x9xE2ZLXb4vAOi8kBCQD9uUEQ,3115
-featomic/torch/system.py,sha256=0META2Q3JVQ2EhJFDmtK8DQmmVxnKktI1mNipfdkCjg,2887
-featomic/torch/utils.py,sha256=2Dh8B4UqD2rH49KVGe_98TPhfrESjDQMT8fdIKWmZzo,416
-featomic/torch/torch-2.1/bin/featomic_torch.dll,sha256=VBr-bM27ky0eHyyi3HH03gyt-NtEJiPmrsqBE4-8W-8,438272
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