featomic-torch 0.7.1__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 = '0.6.2'
+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/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 "0.7.1")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.1" 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 "0.7.1")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

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...3.31)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

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 "0.7.1")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.1" 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 "0.7.1")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

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...3.31)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

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 "0.7.1")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.1" 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 "0.7.1")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

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...3.31)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

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 "0.7.1")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.1" 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 "0.7.1")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

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...3.31)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

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 "0.7.1")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.1" 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 "0.7.1")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

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...3.31)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

featomic/torch/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 "0.7.1")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.1" 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 "0.7.1")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

featomic/torch/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...3.31)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

featomic/torch/{torch-2.2 → 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 "0.7.1")
+set(PACKAGE_VERSION "0.7.2")
 
 if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
   set(PACKAGE_VERSION_COMPATIBLE FALSE)
 else()
 
-  if("0.7.1" 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 "0.7.1")
+    set(CVF_VERSION_MAJOR "0.7.2")
     set(CVF_VERSION_MINOR "")
   endif()
 

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

@@ -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 2.9.1)
 set(BUILD_TORCH_MAJOR 2)
-set(BUILD_TORCH_MINOR 1)
+set(BUILD_TORCH_MINOR 9)
 
 find_package(Torch ${BUILD_TORCH_VERSION} REQUIRED)
 

featomic/torch/{torch-2.1 → 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...3.31)
+cmake_policy(VERSION 2.8.12...4.0)
 #----------------------------------------------------------------
 # Generated CMake target import file.
 #----------------------------------------------------------------

{featomic_torch-0.7.1.dist-info → featomic_torch-0.7.2.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: featomic-torch
-Version: 0.7.1
+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,<2.9
+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,>=0.6.2
+Requires-Dist: featomic<0.7,>=0.6.3
 Dynamic: author
 Dynamic: license-file
 Dynamic: requires-dist

{featomic_torch-0.7.1.dist-info → featomic_torch-0.7.2.dist-info}/RECORD

@@ -1,102 +1,91 @@
 featomic/torch/__init__.py,sha256=kseeHpjGIT26zaBFcyzdk829Vxi9d_7YpFRbm1SvH0s,943
-featomic/torch/_build_versions.py,sha256=THXajiN2hahKWE0g7fC0sefB44v42cIrqI--jY29R1A,129
+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=bExbtrK0oqVLADUmS0x9xE2ZLXb4vAOi8kBCQD9uUEQ,3115
+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-2.1/bin/featomic_torch.dll,sha256=GCGXqD6wvZ4hOFjjck48lQiRpzuVCF8VkdhQ4N313Es,461312
-featomic/torch/torch-2.1/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
-featomic/torch/torch-2.1/include/featomic/torch/autograd.hpp,sha256=dLed0atbDPt_iKoYwuTgkPbRn2_1LIQwoeDvHFYMfZA,2366
-featomic/torch/torch-2.1/include/featomic/torch/calculator.hpp,sha256=93kT5FfTMp8XR14_FN4pe5CpBkVf3pLBrpDebchw02I,4536
-featomic/torch/torch-2.1/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
-featomic/torch/torch-2.1/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
-featomic/torch/torch-2.1/lib/featomic_torch.lib,sha256=B7FwaflIxUZ5tIGU0HWvGySl32XSZN_COyGiexqRW9s,72764
-featomic/torch/torch-2.1/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=pGPgK4897S1bXw5qlMegAFrXK0CNJlwdqrpES2xz4uw,3760
-featomic/torch/torch-2.1/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=4fa69Gobo_O0W-LmRJRMbMFv_tRpGIj9UKSkzbaAnDU,1428
-featomic/torch/torch-2.1/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
-featomic/torch/torch-2.1/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=r_zDUCFfE7PzDUDO5FiU6KB8JbNEjEaesIcUTz5GHVI,4364
-featomic/torch/torch-2.2/bin/featomic_torch.dll,sha256=DtTrc3Xan2E37Qq2TNIFfFap0nCYzuZx7U0RlgH_yuk,464896
-featomic/torch/torch-2.2/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
-featomic/torch/torch-2.2/include/featomic/torch/autograd.hpp,sha256=dLed0atbDPt_iKoYwuTgkPbRn2_1LIQwoeDvHFYMfZA,2366
-featomic/torch/torch-2.2/include/featomic/torch/calculator.hpp,sha256=93kT5FfTMp8XR14_FN4pe5CpBkVf3pLBrpDebchw02I,4536
-featomic/torch/torch-2.2/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
-featomic/torch/torch-2.2/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
-featomic/torch/torch-2.2/lib/featomic_torch.lib,sha256=CYjfL4Y3WTyuZwmv-uGhiQng7otwVc0iYOANiSKB_r4,72792
-featomic/torch/torch-2.2/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=pGPgK4897S1bXw5qlMegAFrXK0CNJlwdqrpES2xz4uw,3760
-featomic/torch/torch-2.2/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=ek1sITsbfdyoXxFmgTQhtPClOQQveifeVoo7TJ1m-u4,1428
-featomic/torch/torch-2.2/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
-featomic/torch/torch-2.2/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=r_zDUCFfE7PzDUDO5FiU6KB8JbNEjEaesIcUTz5GHVI,4364
-featomic/torch/torch-2.3/bin/featomic_torch.dll,sha256=RcGHLHxGRYa9ResDHjJoqClta9OjdxgYni4kH3r7Cxs,464896
+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=B0T7-ahjoAwjJww4wjsUaxql09KboKK6vRolN6H3z88,72454
-featomic/torch/torch-2.3/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=pGPgK4897S1bXw5qlMegAFrXK0CNJlwdqrpES2xz4uw,3760
+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=r_zDUCFfE7PzDUDO5FiU6KB8JbNEjEaesIcUTz5GHVI,4364
-featomic/torch/torch-2.4/bin/featomic_torch.dll,sha256=1nFNguUKom5zOEsnbyumsDlIeG06YzcuFx7H-yiwjo0,483840
+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
 featomic/torch/torch-2.4/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
-featomic/torch/torch-2.4/lib/featomic_torch.lib,sha256=B0T7-ahjoAwjJww4wjsUaxql09KboKK6vRolN6H3z88,72454
-featomic/torch/torch-2.4/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=pGPgK4897S1bXw5qlMegAFrXK0CNJlwdqrpES2xz4uw,3760
+featomic/torch/torch-2.4/lib/featomic_torch.lib,sha256=mpSO852jB0jFhgAqGroskiTQTGyGZcyeS99RQ2Jkto8,72454
+featomic/torch/torch-2.4/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=lXBDkCLvaI2_8xaCieI_yhd3aWEaQ2N7Czn8YLJDGQM,3760
 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
-featomic/torch/torch-2.4/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=r_zDUCFfE7PzDUDO5FiU6KB8JbNEjEaesIcUTz5GHVI,4364
-featomic/torch/torch-2.5/bin/featomic_torch.dll,sha256=vKX8Ig0xcjB2UUbHSwQ_d-CWC2XZI0Zw8fN7LE2cdsA,483840
+featomic/torch/torch-2.4/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=qMR26A9GFjWJesG4HrxPYomz7hEgTvuqegK2RJzGrfY,4363
+featomic/torch/torch-2.5/bin/featomic_torch.dll,sha256=SRl0UBinnyr4CoQDOySwoNnJJ0hU17pPRhjth76Mps4,484352
 featomic/torch/torch-2.5/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
 featomic/torch/torch-2.5/include/featomic/torch/autograd.hpp,sha256=dLed0atbDPt_iKoYwuTgkPbRn2_1LIQwoeDvHFYMfZA,2366
 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
 featomic/torch/torch-2.5/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
-featomic/torch/torch-2.5/lib/featomic_torch.lib,sha256=B0T7-ahjoAwjJww4wjsUaxql09KboKK6vRolN6H3z88,72454
-featomic/torch/torch-2.5/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=pGPgK4897S1bXw5qlMegAFrXK0CNJlwdqrpES2xz4uw,3760
+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=r_zDUCFfE7PzDUDO5FiU6KB8JbNEjEaesIcUTz5GHVI,4364
-featomic/torch/torch-2.6/bin/featomic_torch.dll,sha256=Me-Bb0yP9UQtgrFa_zdPv0QFs9leW3JHmwPpBR2aD84,482816
+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=bo2oi0ymN-HUqE1ycC9SkheL6hFtDO-RUSv7yU0T4QU,72454
-featomic/torch/torch-2.6/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=pGPgK4897S1bXw5qlMegAFrXK0CNJlwdqrpES2xz4uw,3760
+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
 featomic/torch/torch-2.6/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
-featomic/torch/torch-2.6/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=r_zDUCFfE7PzDUDO5FiU6KB8JbNEjEaesIcUTz5GHVI,4364
-featomic/torch/torch-2.7/bin/featomic_torch.dll,sha256=6dJV65IGtpRmPmSu2uPsFcqY34JbW4g8ZQ6BS1alTkk,542208
+featomic/torch/torch-2.6/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=qMR26A9GFjWJesG4HrxPYomz7hEgTvuqegK2RJzGrfY,4363
+featomic/torch/torch-2.7/bin/featomic_torch.dll,sha256=ZEV3yJR6bgKBmFjRexwlABwy6fNNRMIMaRUfSt9lqDo,542208
 featomic/torch/torch-2.7/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
 featomic/torch/torch-2.7/include/featomic/torch/autograd.hpp,sha256=dLed0atbDPt_iKoYwuTgkPbRn2_1LIQwoeDvHFYMfZA,2366
 featomic/torch/torch-2.7/include/featomic/torch/calculator.hpp,sha256=93kT5FfTMp8XR14_FN4pe5CpBkVf3pLBrpDebchw02I,4536
 featomic/torch/torch-2.7/include/featomic/torch/exports.h,sha256=ysH09O3xQjJ6eKOVlcJX_hct21DWjKEfOLJ9t4uVyQo,1231
 featomic/torch/torch-2.7/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
-featomic/torch/torch-2.7/lib/featomic_torch.lib,sha256=roNSDmGJjCieVnHwlK7ljOGpfyrspGHr-UUdv0hWE1M,72454
-featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=pGPgK4897S1bXw5qlMegAFrXK0CNJlwdqrpES2xz4uw,3760
+featomic/torch/torch-2.7/lib/featomic_torch.lib,sha256=bsjzvEavulX8-jrWONQ7dHtXC3vjPHViF9FH3AwfrB4,72454
+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
 featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
-featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=r_zDUCFfE7PzDUDO5FiU6KB8JbNEjEaesIcUTz5GHVI,4364
-featomic/torch/torch-2.8/bin/featomic_torch.dll,sha256=ZlJfZ1tOhWyehXtGf0hUJ_esHRV-aNq-RIhD0-8UYU8,566272
+featomic/torch/torch-2.7/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=qMR26A9GFjWJesG4HrxPYomz7hEgTvuqegK2RJzGrfY,4363
+featomic/torch/torch-2.8/bin/featomic_torch.dll,sha256=ZSl5inHFuM4pSFqJ6EyfEGbqN7AzKJEzF3So9b6Zwkg,566784
 featomic/torch/torch-2.8/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
 featomic/torch/torch-2.8/include/featomic/torch/autograd.hpp,sha256=dLed0atbDPt_iKoYwuTgkPbRn2_1LIQwoeDvHFYMfZA,2366
 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
 featomic/torch/torch-2.8/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
-featomic/torch/torch-2.8/lib/featomic_torch.lib,sha256=bo2oi0ymN-HUqE1ycC9SkheL6hFtDO-RUSv7yU0T4QU,72454
-featomic/torch/torch-2.8/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=pGPgK4897S1bXw5qlMegAFrXK0CNJlwdqrpES2xz4uw,3760
+featomic/torch/torch-2.8/lib/featomic_torch.lib,sha256=bsjzvEavulX8-jrWONQ7dHtXC3vjPHViF9FH3AwfrB4,72454
+featomic/torch/torch-2.8/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=lXBDkCLvaI2_8xaCieI_yhd3aWEaQ2N7Czn8YLJDGQM,3760
 featomic/torch/torch-2.8/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=VpwQLaAKIyTtD16rbZ_BJwjB8lwIMfW7Cg-MHTHxiYE,1428
 featomic/torch/torch-2.8/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
-featomic/torch/torch-2.8/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=r_zDUCFfE7PzDUDO5FiU6KB8JbNEjEaesIcUTz5GHVI,4364
-featomic_torch-0.7.1.dist-info/licenses/AUTHORS,sha256=ZRgnD7LtwoLGI7JzMOuCUuN29E4O7dPQWvIwAGix-DU,115
-featomic_torch-0.7.1.dist-info/licenses/LICENSE,sha256=OiYybUy-uWydIsPg8ZhOAG7SmQzG0uAvG0n7-RtNWts,1534
-featomic_torch-0.7.1.dist-info/METADATA,sha256=niQYY3a-ywaMWHgWRSRtjwNapkJXm8UVTqliKlhX6ng,1684
-featomic_torch-0.7.1.dist-info/WHEEL,sha256=BlXG8Qkq_mCTKpY-toCToAQAmGPE73xawTOhla8_4pE,98
-featomic_torch-0.7.1.dist-info/top_level.txt,sha256=I3OeQQ47Chc163yvQQ5r_M6DZgM3VUNGOMr_72psMc4,24
-featomic_torch-0.7.1.dist-info/RECORD,,
+featomic/torch/torch-2.8/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=qMR26A9GFjWJesG4HrxPYomz7hEgTvuqegK2RJzGrfY,4363
+featomic/torch/torch-2.9/bin/featomic_torch.dll,sha256=tAViHaf8NQYVy-cs_dKsRc58kTUqJ8WWLpgSss3kfCk,567296
+featomic/torch/torch-2.9/include/featomic/torch.hpp,sha256=SvyZvSptRxmtgSbmRlA2n3yTytZyziiur0KMb-GLMNg,258
+featomic/torch/torch-2.9/include/featomic/torch/autograd.hpp,sha256=dLed0atbDPt_iKoYwuTgkPbRn2_1LIQwoeDvHFYMfZA,2366
+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
+featomic/torch/torch-2.9/include/featomic/torch/system.hpp,sha256=wun75joGuZGwwxfT8jtL80lDrA6qL58f2BmRrM3wqwo,3693
+featomic/torch/torch-2.9/lib/featomic_torch.lib,sha256=bsjzvEavulX8-jrWONQ7dHtXC3vjPHViF9FH3AwfrB4,72454
+featomic/torch/torch-2.9/lib/cmake/featomic_torch/featomic_torch-config-version.cmake,sha256=lXBDkCLvaI2_8xaCieI_yhd3aWEaQ2N7Czn8YLJDGQM,3760
+featomic/torch/torch-2.9/lib/cmake/featomic_torch/featomic_torch-config.cmake,sha256=RQBSDLXulK0_1mYPR64jcdFXEAdiJKhjJiLmnShQibo,1428
+featomic/torch/torch-2.9/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake,sha256=TDR0xsDfzk_IyNblcGbgRASYRkJHRcX4RLFzz32bl_I,938
+featomic/torch/torch-2.9/lib/cmake/featomic_torch/featomic_torch-targets.cmake,sha256=qMR26A9GFjWJesG4HrxPYomz7hEgTvuqegK2RJzGrfY,4363
+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/torch-2.1/lib/cmake/featomic_torch/featomic_torch-config-version.cmake

@@ -1,85 +0,0 @@
-# This is a basic version file for the Config-mode of find_package().
-# It is used by write_basic_package_version_file() as input file for configure_file()
-# to create a version-file which can be installed along a config.cmake file.
-#
-# The created file sets PACKAGE_VERSION_EXACT if the current version string and
-# the requested version string are exactly the same and it sets
-# PACKAGE_VERSION_COMPATIBLE if the current version is >= requested version,
-# but only if the requested major and minor versions are the same as the current
-# one.
-# The variable CVF_VERSION must be set before calling configure_file().
-
-
-set(PACKAGE_VERSION "0.7.1")
-
-if(PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION)
-  set(PACKAGE_VERSION_COMPATIBLE FALSE)
-else()
-
-  if("0.7.1" MATCHES "^([0-9]+)\\.([0-9]+)")
-    set(CVF_VERSION_MAJOR "${CMAKE_MATCH_1}")
-    set(CVF_VERSION_MINOR "${CMAKE_MATCH_2}")
-
-    if(NOT CVF_VERSION_MAJOR VERSION_EQUAL 0)
-      string(REGEX REPLACE "^0+" "" CVF_VERSION_MAJOR "${CVF_VERSION_MAJOR}")
-    endif()
-    if(NOT CVF_VERSION_MINOR VERSION_EQUAL 0)
-      string(REGEX REPLACE "^0+" "" CVF_VERSION_MINOR "${CVF_VERSION_MINOR}")
-    endif()
-  else()
-    set(CVF_VERSION_MAJOR "0.7.1")
-    set(CVF_VERSION_MINOR "")
-  endif()
-
-  if(PACKAGE_FIND_VERSION_RANGE)
-    # both endpoints of the range must have the expected major and minor versions
-    math (EXPR CVF_VERSION_MINOR_NEXT "${CVF_VERSION_MINOR} + 1")
-    if (NOT (PACKAGE_FIND_VERSION_MIN_MAJOR STREQUAL CVF_VERSION_MAJOR
-          AND PACKAGE_FIND_VERSION_MIN_MINOR STREQUAL CVF_VERSION_MINOR)
-        OR ((PACKAGE_FIND_VERSION_RANGE_MAX STREQUAL "INCLUDE"
-            AND NOT (PACKAGE_FIND_VERSION_MAX_MAJOR STREQUAL CVF_VERSION_MAJOR
-              AND PACKAGE_FIND_VERSION_MAX_MINOR STREQUAL CVF_VERSION_MINOR))
-          OR (PACKAGE_FIND_VERSION_RANGE_MAX STREQUAL "EXCLUDE"
-            AND NOT PACKAGE_FIND_VERSION_MAX VERSION_LESS_EQUAL ${CVF_VERSION_MAJOR}.${CVF_VERSION_MINOR_NEXT})))
-      set(PACKAGE_VERSION_COMPATIBLE FALSE)
-    elseif(PACKAGE_FIND_VERSION_MIN_MAJOR STREQUAL CVF_VERSION_MAJOR
-        AND PACKAGE_FIND_VERSION_MIN_MINOR STREQUAL CVF_VERSION_MINOR
-        AND ((PACKAGE_FIND_VERSION_RANGE_MAX STREQUAL "INCLUDE" AND PACKAGE_VERSION VERSION_LESS_EQUAL PACKAGE_FIND_VERSION_MAX)
-        OR (PACKAGE_FIND_VERSION_RANGE_MAX STREQUAL "EXCLUDE" AND PACKAGE_VERSION VERSION_LESS PACKAGE_FIND_VERSION_MAX)))
-      set(PACKAGE_VERSION_COMPATIBLE TRUE)
-    else()
-      set(PACKAGE_VERSION_COMPATIBLE FALSE)
-    endif()
-  else()
-    if(NOT PACKAGE_FIND_VERSION_MAJOR VERSION_EQUAL 0)
-      string(REGEX REPLACE "^0+" "" PACKAGE_FIND_VERSION_MAJOR "${PACKAGE_FIND_VERSION_MAJOR}")
-    endif()
-    if(NOT PACKAGE_FIND_VERSION_MINOR VERSION_EQUAL 0)
-      string(REGEX REPLACE "^0+" "" PACKAGE_FIND_VERSION_MINOR "${PACKAGE_FIND_VERSION_MINOR}")
-    endif()
-
-    if((PACKAGE_FIND_VERSION_MAJOR STREQUAL CVF_VERSION_MAJOR) AND
-        (PACKAGE_FIND_VERSION_MINOR STREQUAL CVF_VERSION_MINOR))
-      set(PACKAGE_VERSION_COMPATIBLE TRUE)
-    else()
-      set(PACKAGE_VERSION_COMPATIBLE FALSE)
-    endif()
-
-    if(PACKAGE_FIND_VERSION STREQUAL PACKAGE_VERSION)
-      set(PACKAGE_VERSION_EXACT TRUE)
-    endif()
-  endif()
-endif()
-
-
-# if the installed or the using project don't have CMAKE_SIZEOF_VOID_P set, ignore it:
-if("${CMAKE_SIZEOF_VOID_P}" STREQUAL "" OR "8" STREQUAL "")
-  return()
-endif()
-
-# check that the installed version has the same 32/64bit-ness as the one which is currently searching:
-if(NOT CMAKE_SIZEOF_VOID_P STREQUAL "8")
-  math(EXPR installedBits "8 * 8")
-  set(PACKAGE_VERSION "${PACKAGE_VERSION} (${installedBits}bit)")
-  set(PACKAGE_VERSION_UNSUITABLE TRUE)
-endif()

featomic/torch/torch-2.2/include/featomic/torch/autograd.hpp

@@ -1,58 +0,0 @@
-// IWYU pragma: private; include "featomic/torch.hpp"
-
-#ifndef FEATOMIC_TORCH_AUTOGRAD_HPP
-#define FEATOMIC_TORCH_AUTOGRAD_HPP
-
-#include <ATen/core/ivalue.h>
-#include <torch/autograd.h>
-
-#include <metatensor/torch.hpp>
-
-#include "featomic/torch/exports.h"
-
-namespace featomic_torch {
-
-/// Custom torch::autograd::Function integrating featomic with torch autograd.
-///
-/// This is a bit more complex than your typical autograd because there is some
-/// impedance mismatch between featomic and torch. Most of it should be taken
-/// care of by the `compute` function below.
-class FEATOMIC_TORCH_EXPORT FeatomicAutograd: public torch::autograd::Function<FeatomicAutograd> {
-public:
-    /// Register a pseudo node in Torch's computational graph going from
-    /// `all_positions` and `all_cell` to the values in `block`; using the
-    /// pre-computed gradients in `block`.
-    ///
-    /// If `all_positions.requires_grad` is True, `block` must have a
-    /// `"positions"` gradient; and `systems_start` should contain the index of
-    /// the first atom of each system in `all_positions`.
-    ///
-    /// If `all_cells.requires_grad` is True, `block` must have a `"cell"`
-    /// gradient, and the block samples must contain a `"stucture"` dimension.
-    ///
-    /// This function returns a vector with one element corresponding to
-    /// `block.values`, which should be left unused. It is only there to make
-    /// sure torch registers a `grad_fn` for the tensors stored inside the
-    /// TensorBlock (the values in the TensorBlock are references to the ones
-    /// returned by this function, so when a `grad_fn` is added to one, it is
-    /// also added to the other).
-    static std::vector<torch::Tensor> forward(
-        torch::autograd::AutogradContext *ctx,
-        torch::Tensor all_positions,
-        torch::Tensor all_cells,
-        torch::IValue systems_start,
-        metatensor_torch::TensorBlock block
-    );
-
-    /// Backward step: get the gradients of some quantity `A` w.r.t. the outputs
-    /// of `forward`; and compute the gradients of the same quantity `A` w.r.t.
-    /// the inputs of `forward` (i.e. cell and positions).
-    static std::vector<torch::Tensor> backward(
-        torch::autograd::AutogradContext *ctx,
-        std::vector<torch::Tensor> grad_outputs
-    );
-};
-
-}
-
-#endif

featomic/torch/torch-2.2/include/featomic/torch/calculator.hpp

@@ -1,134 +0,0 @@
-#ifndef FEATOMIC_TORCH_CALCULATOR_HPP
-#define FEATOMIC_TORCH_CALCULATOR_HPP
-
-#include <torch/script.h>
-
-#include <featomic.hpp>
-#include <metatensor/torch.hpp>
-#include <metatomic/torch.hpp>
-
-#include "featomic/torch/exports.h"
-
-namespace featomic_torch {
-class FeatomicAutograd;
-
-class CalculatorHolder;
-using TorchCalculator = torch::intrusive_ptr<CalculatorHolder>;
-
-class CalculatorOptionsHolder;
-using TorchCalculatorOptions = torch::intrusive_ptr<CalculatorOptionsHolder>;
-
-/// Options for a single calculation
-class FEATOMIC_TORCH_EXPORT CalculatorOptionsHolder: public torch::CustomClassHolder {
-public:
-    /// get the current selected samples
-    torch::IValue selected_samples() const {
-        return selected_samples_;
-    }
-    /// Set the selected samples to `selection`.
-    ///
-    /// The `IValue` can be `None` (no selection), an instance of
-    /// `metatensor_torch::TorchLabels`, or an instance of
-    /// `metatensor_torch::TorchTensorMap`.
-    void set_selected_samples(torch::IValue selection);
-
-    /// Get the selected samples in the format used by featomic
-    featomic::LabelsSelection selected_samples_featomic() const;
-
-    /// get the current selected properties
-    torch::IValue selected_properties() const {
-        return selected_properties_;
-    }
-    /// Set the selected properties to `selection`.
-    ///
-    /// The `IValue` can be `None` (no selection), an instance of
-    /// `metatensor_torch::TorchLabels`, or an instance of
-    /// `metatensor_torch::TorchTensorMap`.
-    void set_selected_properties(torch::IValue selection);
-
-    /// Get the selected properties in the format used by featomic
-    featomic::LabelsSelection selected_properties_featomic() const;
-
-    /// get the current selected keys
-    torch::IValue selected_keys() const {
-        return selected_keys_;
-    }
-
-    /// Set the selected properties to `selection`.
-    ///
-    /// The `IValue` can be `None` (no selection), or an instance of
-    /// `metatensor_torch::TorchLabels`.
-    void set_selected_keys(torch::IValue selection);
-
-    /// which gradients to keep in the output of a calculation
-    std::vector<std::string> gradients;
-
-private:
-    torch::IValue selected_samples_;
-    torch::IValue selected_properties_;
-    torch::IValue selected_keys_;
-};
-
-/// Custom class holder to store, serialize and load featomic calculators
-/// inside Torch(Script) modules.
-class FEATOMIC_TORCH_EXPORT CalculatorHolder: public torch::CustomClassHolder {
-public:
-    /// Create a new calculator with the given `name` and JSON `parameters`
-    CalculatorHolder(std::string name, std::string parameters):
-        c_name_(std::move(name)),
-        calculator_(c_name_, std::move(parameters))
-    {}
-
-    /// Get the name of this calculator
-    std::string name() const {
-        return calculator_.name();
-    }
-
-    /// Get the name used to register this calculator
-    std::string c_name() const {
-        return c_name_;
-    }
-
-    /// Get the parameters of this calculator
-    std::string parameters() const {
-        return calculator_.parameters();
-    }
-
-    /// Get all radial cutoffs used by this `Calculator`'s neighbors lists
-    std::vector<double> cutoffs() const {
-        return calculator_.cutoffs();
-    }
-
-    /// Run a calculation for the given `systems` using the given options.
-    metatensor_torch::TensorMap compute(
-        std::vector<metatomic_torch::System> systems,
-        TorchCalculatorOptions options = {}
-    );
-
-private:
-    std::string c_name_;
-    featomic::Calculator calculator_;
-};
-
-
-/// Register autograd nodes between `system.positions` and `system.cell` for
-/// each of the systems and the values in the `precomputed` TensorMap.
-///
-/// This is an advanced function must users should not need to use.
-///
-/// The autograd nodes `backward()` function will use the gradients already
-/// stored in `precomputed`, meaning that if any of the system's positions
-/// `requires_grad`, `precomputed` must contain `"positions"` gradients.
-/// Similarly, if any of the system's cell `requires_grad`, `precomputed` must
-/// contain `"cell"` gradients.
-///
-/// `forward_gradients` controls which gradients are left inside the TensorMap.
-metatensor_torch::TensorMap FEATOMIC_TORCH_EXPORT register_autograd(
-    std::vector<metatomic_torch::System> systems,
-    metatensor_torch::TensorMap precomputed,
-    std::vector<std::string> forward_gradients
-);
-
-}
-
-#endif

featomic/torch/torch-2.2/include/featomic/torch/exports.h

@@ -1,43 +0,0 @@
-
-#ifndef FEATOMIC_TORCH_EXPORT_H
-#define FEATOMIC_TORCH_EXPORT_H
-
-#ifdef FEATOMIC_TORCH_STATIC_DEFINE
-#  define FEATOMIC_TORCH_EXPORT
-#  define FEATOMIC_TORCH_NO_EXPORT
-#else
-#  ifndef FEATOMIC_TORCH_EXPORT
-#    ifdef featomic_torch_EXPORTS
-        /* We are building this library */
-#      define FEATOMIC_TORCH_EXPORT __declspec(dllexport)
-#    else
-        /* We are using this library */
-#      define FEATOMIC_TORCH_EXPORT __declspec(dllimport)
-#    endif
-#  endif
-
-#  ifndef FEATOMIC_TORCH_NO_EXPORT
-#    define FEATOMIC_TORCH_NO_EXPORT 
-#  endif
-#endif
-
-#ifndef FEATOMIC_TORCH_DEPRECATED
-#  define FEATOMIC_TORCH_DEPRECATED __declspec(deprecated)
-#endif
-
-#ifndef FEATOMIC_TORCH_DEPRECATED_EXPORT
-#  define FEATOMIC_TORCH_DEPRECATED_EXPORT FEATOMIC_TORCH_EXPORT FEATOMIC_TORCH_DEPRECATED
-#endif
-
-#ifndef FEATOMIC_TORCH_DEPRECATED_NO_EXPORT
-#  define FEATOMIC_TORCH_DEPRECATED_NO_EXPORT FEATOMIC_TORCH_NO_EXPORT FEATOMIC_TORCH_DEPRECATED
-#endif
-
-/* NOLINTNEXTLINE(readability-avoid-unconditional-preprocessor-if) */
-#if 0 /* DEFINE_NO_DEPRECATED */
-#  ifndef FEATOMIC_TORCH_NO_DEPRECATED
-#    define FEATOMIC_TORCH_NO_DEPRECATED
-#  endif
-#endif
-
-#endif /* FEATOMIC_TORCH_EXPORT_H */

featomic/torch/torch-2.2/include/featomic/torch/system.hpp

@@ -1,112 +0,0 @@
-#ifndef FEATOMIC_TORCH_SYSTEM_HPP
-#define FEATOMIC_TORCH_SYSTEM_HPP
-
-#include <vector>
-#include <map>
-
-#include <torch/script.h>
-
-#include <featomic.hpp>
-#include <metatomic/torch.hpp>
-
-#include "featomic/torch/exports.h"
-
-namespace featomic_torch {
-
-/// Implementation of `featomic::System` using `metatomic_torch::System` as
-/// backing memory for all the data.
-///
-/// This can either be used with the Rust neighbor list implementation; or a set
-/// of pre-computed neighbor lists can be added to the system.
-class FEATOMIC_TORCH_EXPORT SystemAdapter final: public featomic::System {
-public:
-    /// Create a `SystemAdapter` wrapping an existing `metatomic_torch::System`
-    SystemAdapter(metatomic_torch::System system);
-
-    ~SystemAdapter() override = default;
-
-    /// `SystemAdapter` is copy-constructible
-    SystemAdapter(const SystemAdapter&) = default;
-    /// `SystemAdapter` is move-constructible
-    SystemAdapter(SystemAdapter&&) = default;
-
-    /// `SystemAdapter` can be copy-assigned
-    SystemAdapter& operator=(const SystemAdapter&) = default;
-    /// `SystemAdapter` can be move-assigned
-    SystemAdapter& operator=(SystemAdapter&&) = default;
-
-    /*========================================================================*/
-    /*            Functions to implement featomic::System                    */
-    /*========================================================================*/
-
-    /// @private
-    uintptr_t size() const override {
-        return static_cast<uintptr_t>(types_.size(0));
-    }
-
-    /// @private
-    const int32_t* types() const override {
-        return types_.data_ptr<int32_t>();
-    }
-
-    /// @private
-    const double* positions() const override {
-        return positions_.data_ptr<double>();
-    }
-
-    /// @private
-    CellMatrix cell() const override {
-        auto* data = cell_.data_ptr<double>();
-        return CellMatrix{{
-            {{data[0], data[1], data[2]}},
-            {{data[3], data[4], data[5]}},
-            {{data[6], data[7], data[8]}},
-        }};
-    }
-
-    /// @private
-    void compute_neighbors(double cutoff) override;
-
-    /// @private
-    const std::vector<featomic_pair_t>& pairs() const override;
-
-    /// @private
-    const std::vector<featomic_pair_t>& pairs_containing(uintptr_t atom) const override;
-
-    /*========================================================================*/
-    /*                 Functions to re-use pre-computed pairs                 */
-    /*========================================================================*/
-
-    /// Should we copy data to featomic internal data structure and compute the
-    /// neighbor list there? This is set to `true` by default, or `false` if
-    /// a neighbor list has been added with `set_precomputed_pairs`.
-    bool use_native_system() const;
-
-private:
-    // the origin of all the data
-    metatomic_torch::System system_;
-
-    /// atomic types tensor, contiguous and on CPU
-    torch::Tensor types_;
-    /// positions tensor, contiguous, on CPU and with dtype=float64
-    torch::Tensor positions_;
-    /// cell tensor, contiguous, on CPU and with dtype=float64
-    torch::Tensor cell_;
-
-
-    struct PrecomputedPairs {
-        std::vector<featomic_pair_t> pairs_;
-        std::vector<std::vector<featomic_pair_t>> pairs_by_atom_;
-    };
-
-    void set_precomputed_pairs(double cutoff, std::vector<featomic_pair_t> pairs);
-
-    // all precomputed pairs we know about
-    std::map<double, PrecomputedPairs> precomputed_pairs_;
-    // last custom requested by `compute_neighbors`
-    double last_cutoff_ = -1.0;
-};
-
-}
-
-#endif

featomic/torch/torch-2.2/include/featomic/torch.hpp

@@ -1,10 +0,0 @@
-#ifndef FEATOMIC_TORCH_HPP
-#define FEATOMIC_TORCH_HPP
-
-#include "featomic/torch/exports.h" // IWYU pragma: export
-
-#include "featomic/torch/system.hpp" // IWYU pragma: export
-#include "featomic/torch/calculator.hpp" // IWYU pragma: export
-
-
-#endif

featomic/torch/torch-2.2/lib/cmake/featomic_torch/featomic_torch-config.cmake

@@ -1,32 +0,0 @@
-include(CMakeFindDependencyMacro)
-
-# use the same version for featomic as the main CMakeLists.txt
-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 0.8.0)
-find_package(metatensor_torch ${REQUIRED_METATENSOR_TORCH_VERSION} CONFIG REQUIRED)
-
-# use the same version for metatomic_torch as the main CMakeLists.txt
-set(REQUIRED_METATOMIC_TORCH_VERSION 0.1)
-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_MAJOR 2)
-set(BUILD_TORCH_MINOR 2)
-
-find_package(Torch ${BUILD_TORCH_VERSION} REQUIRED)
-
-if (NOT "${BUILD_TORCH_MAJOR}" STREQUAL "${Torch_VERSION_MAJOR}")
-    message(FATAL_ERROR "found incompatible torch version: featomic-torch was built against v${BUILD_TORCH_VERSION} but we found v${Torch_VERSION}")
-endif()
-
-if (NOT "${BUILD_TORCH_MINOR}" STREQUAL "${Torch_VERSION_MINOR}")
-    message(FATAL_ERROR "found incompatible torch version: featomic-torch was built against v${BUILD_TORCH_VERSION} but we found v${Torch_VERSION}")
-endif()
-
-
-include(${CMAKE_CURRENT_LIST_DIR}/featomic_torch-targets.cmake)

featomic/torch/torch-2.2/lib/cmake/featomic_torch/featomic_torch-targets-release.cmake

@@ -1,19 +0,0 @@
-#----------------------------------------------------------------
-# Generated CMake target import file for configuration "Release".
-#----------------------------------------------------------------
-
-# Commands may need to know the format version.
-set(CMAKE_IMPORT_FILE_VERSION 1)
-
-# Import target "featomic_torch" for configuration "Release"
-set_property(TARGET featomic_torch APPEND PROPERTY IMPORTED_CONFIGURATIONS RELEASE)
-set_target_properties(featomic_torch PROPERTIES
-  IMPORTED_IMPLIB_RELEASE "${_IMPORT_PREFIX}/lib/featomic_torch.lib"
-  IMPORTED_LOCATION_RELEASE "${_IMPORT_PREFIX}/bin/featomic_torch.dll"
-  )
-
-list(APPEND _cmake_import_check_targets featomic_torch )
-list(APPEND _cmake_import_check_files_for_featomic_torch "${_IMPORT_PREFIX}/lib/featomic_torch.lib" "${_IMPORT_PREFIX}/bin/featomic_torch.dll" )
-
-# Commands beyond this point should not need to know the version.
-set(CMAKE_IMPORT_FILE_VERSION)

featomic/torch/torch-2.2/lib/cmake/featomic_torch/featomic_torch-targets.cmake

@@ -1,108 +0,0 @@
-# Generated by CMake
-
-if("${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}" LESS 2.8)
-   message(FATAL_ERROR "CMake >= 2.8.12 required")
-endif()
-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...3.31)
-#----------------------------------------------------------------
-# Generated CMake target import file.
-#----------------------------------------------------------------
-
-# Commands may need to know the format version.
-set(CMAKE_IMPORT_FILE_VERSION 1)
-
-# Protect against multiple inclusion, which would fail when already imported targets are added once more.
-set(_cmake_targets_defined "")
-set(_cmake_targets_not_defined "")
-set(_cmake_expected_targets "")
-foreach(_cmake_expected_target IN ITEMS featomic_torch)
-  list(APPEND _cmake_expected_targets "${_cmake_expected_target}")
-  if(TARGET "${_cmake_expected_target}")
-    list(APPEND _cmake_targets_defined "${_cmake_expected_target}")
-  else()
-    list(APPEND _cmake_targets_not_defined "${_cmake_expected_target}")
-  endif()
-endforeach()
-unset(_cmake_expected_target)
-if(_cmake_targets_defined STREQUAL _cmake_expected_targets)
-  unset(_cmake_targets_defined)
-  unset(_cmake_targets_not_defined)
-  unset(_cmake_expected_targets)
-  unset(CMAKE_IMPORT_FILE_VERSION)
-  cmake_policy(POP)
-  return()
-endif()
-if(NOT _cmake_targets_defined STREQUAL "")
-  string(REPLACE ";" ", " _cmake_targets_defined_text "${_cmake_targets_defined}")
-  string(REPLACE ";" ", " _cmake_targets_not_defined_text "${_cmake_targets_not_defined}")
-  message(FATAL_ERROR "Some (but not all) targets in this export set were already defined.\nTargets Defined: ${_cmake_targets_defined_text}\nTargets not yet defined: ${_cmake_targets_not_defined_text}\n")
-endif()
-unset(_cmake_targets_defined)
-unset(_cmake_targets_not_defined)
-unset(_cmake_expected_targets)
-
-
-# Compute the installation prefix relative to this file.
-get_filename_component(_IMPORT_PREFIX "${CMAKE_CURRENT_LIST_FILE}" PATH)
-get_filename_component(_IMPORT_PREFIX "${_IMPORT_PREFIX}" PATH)
-get_filename_component(_IMPORT_PREFIX "${_IMPORT_PREFIX}" PATH)
-get_filename_component(_IMPORT_PREFIX "${_IMPORT_PREFIX}" PATH)
-if(_IMPORT_PREFIX STREQUAL "/")
-  set(_IMPORT_PREFIX "")
-endif()
-
-# Create imported target featomic_torch
-add_library(featomic_torch SHARED IMPORTED)
-
-set_target_properties(featomic_torch PROPERTIES
-  INTERFACE_COMPILE_FEATURES "cxx_std_17"
-  INTERFACE_INCLUDE_DIRECTORIES "${_IMPORT_PREFIX}/include"
-  INTERFACE_LINK_LIBRARIES "torch;metatomic_torch;metatensor_torch;featomic::shared"
-)
-
-# Load information for each installed configuration.
-file(GLOB _cmake_config_files "${CMAKE_CURRENT_LIST_DIR}/featomic_torch-targets-*.cmake")
-foreach(_cmake_config_file IN LISTS _cmake_config_files)
-  include("${_cmake_config_file}")
-endforeach()
-unset(_cmake_config_file)
-unset(_cmake_config_files)
-
-# Cleanup temporary variables.
-set(_IMPORT_PREFIX)
-
-# Loop over all imported files and verify that they actually exist
-foreach(_cmake_target IN LISTS _cmake_import_check_targets)
-  if(CMAKE_VERSION VERSION_LESS "3.28"
-      OR NOT DEFINED _cmake_import_check_xcframework_for_${_cmake_target}
-      OR NOT IS_DIRECTORY "${_cmake_import_check_xcframework_for_${_cmake_target}}")
-    foreach(_cmake_file IN LISTS "_cmake_import_check_files_for_${_cmake_target}")
-      if(NOT EXISTS "${_cmake_file}")
-        message(FATAL_ERROR "The imported target \"${_cmake_target}\" references the file
-   \"${_cmake_file}\"
-but this file does not exist.  Possible reasons include:
-* The file was deleted, renamed, or moved to another location.
-* An install or uninstall procedure did not complete successfully.
-* The installation package was faulty and contained
-   \"${CMAKE_CURRENT_LIST_FILE}\"
-but not all the files it references.
-")
-      endif()
-    endforeach()
-  endif()
-  unset(_cmake_file)
-  unset("_cmake_import_check_files_for_${_cmake_target}")
-endforeach()
-unset(_cmake_target)
-unset(_cmake_import_check_targets)
-
-# This file does not depend on other imported targets which have
-# been exported from the same project but in a separate export set.
-
-# Commands beyond this point should not need to know the version.
-set(CMAKE_IMPORT_FILE_VERSION)
-cmake_policy(POP)