metatensor · Luthaf · Jun 25, 2026 · Jun 25, 2026 · Jun 25, 2026
diff --git a/docs/requirements.txt b/docs/requirements.txt
@@ -11,8 +11,8 @@ myst-parser     # markdown => rst translation, used in extensions/featomic_json_
 # dependencies for the tutorials
 --extra-index-url https://download.pytorch.org/whl/cpu
 metatensor-operations >=0.5.0,<0.6
-metatensor-torch >=0.9.0,<0.10
-metatomic-torch >= 0.1.12,<0.2
+metatensor-torch >=0.10.0,<0.11
+metatomic-torch >= 0.1.15,<0.2
 torch
 chemfiles
 matplotlib

diff --git a/featomic-torch/CHANGELOG.md b/featomic-torch/CHANGELOG.md
@@ -17,6 +17,12 @@ a changelog](https://keepachangelog.com/en/1.1.0/) format. This project follows
 ### Removed
 -->
 
+## [Version 0.7.5](https://github.com/metatensor/featomic/releases/tag/featomic-torch-v0.7.5) - 2026-06-25
+
+### Changed
+
+- The code is now compatible with metatensor-torch v0.10
+
 ## [Version 0.7.4](https://github.com/metatensor/featomic/releases/tag/featomic-torch-v0.7.4) - 2026-05-15
 
 ### Changed

diff --git a/featomic-torch/CMakeLists.txt b/featomic-torch/CMakeLists.txt
@@ -81,7 +81,7 @@ function(check_compatible_versions _dependency_ _actual_ _requested_)
 endfunction()
 
 
-set(REQUIRED_FEATOMIC_VERSION "0.6.6")
+set(REQUIRED_FEATOMIC_VERSION "0.6.7")
 if (NOT "$ENV{FEATOMIC_NO_LOCAL_DEPS}" STREQUAL "1")
     # If building a dev version, we also need to update the
     # REQUIRED_FEATOMIC_VERSION in the same way we update the
@@ -122,8 +122,8 @@ find_package(Torch 2.3 REQUIRED)
 #
 # When updating METATENSOR_TORCH_FETCH_VERSION, you will also have to update the
 # SHA256 sum of the file in `FetchContent_Declare`.
-set(METATENSOR_TORCH_FETCH_VERSION "0.9.0")
-set(REQUIRED_METATENSOR_TORCH_VERSION "0.9")
+set(METATENSOR_TORCH_FETCH_VERSION "0.10.0")
+set(REQUIRED_METATENSOR_TORCH_VERSION "0.10")
 if (FEATOMIC_FETCH_METATENSOR_TORCH)
     message(STATUS "Fetching metatensor-torch from github")
 
@@ -132,7 +132,7 @@ if (FEATOMIC_FETCH_METATENSOR_TORCH)
     FetchContent_Declare(
         metatensor_torch
         URL      ${URL_ROOT}/metatensor-torch-v${METATENSOR_TORCH_FETCH_VERSION}/metatensor-torch-cxx-${METATENSOR_TORCH_FETCH_VERSION}.tar.gz
-        URL_HASH SHA256=4e31c235447b6bc14c7703c640e2f35409813c2f159a32b8d23386ad4a5abd57
+        URL_HASH SHA256=a0a25e061ae4fbf2a563e9fcceed68ac79b4d857e4c9803a1614d301dc3fdfcd
     )
 
     FetchContent_MakeAvailable(metatensor_torch)
@@ -150,7 +150,7 @@ endif()
 #
 # When updating METATOMIC_TORCH_FETCH_VERSION, you will also have to update the
 # SHA256 sum of the file in `FetchContent_Declare`.
-set(METATOMIC_TORCH_FETCH_VERSION "0.1.12")
+set(METATOMIC_TORCH_FETCH_VERSION "0.1.15")
 set(REQUIRED_METATOMIC_TORCH_VERSION "0.1")
 if (FEATOMIC_FETCH_METATENSOR_TORCH)
     message(STATUS "Fetching metatomic-torch from github")
@@ -160,7 +160,7 @@ if (FEATOMIC_FETCH_METATENSOR_TORCH)
     FetchContent_Declare(
         metatomic_torch
         URL      ${URL_ROOT}/metatomic-torch-v${METATOMIC_TORCH_FETCH_VERSION}/metatomic-torch-cxx-${METATOMIC_TORCH_FETCH_VERSION}.tar.gz
-        URL_HASH SHA256=d9e587c7ce3d9d6338ed5f6da119e2a3b29698381886f36a53603523c0499542
+        URL_HASH SHA256=2fa4c94144164168834a90ff195ed7d788959c9d9ffd3ea4a85e2f470925c708
     )
 
     FetchContent_MakeAvailable(metatomic_torch)

diff --git a/featomic-torch/VERSION b/featomic-torch/VERSION
@@ -1 +1 @@
-0.7.4
+0.7.5
diff --git a/featomic-torch/tests/cmake-project/CMakeLists.txt b/featomic-torch/tests/cmake-project/CMakeLists.txt
@@ -6,7 +6,7 @@ project(featomic-torch-test-cmake-project CXX)
 # We need to update the REQUIRED_FEATOMIC_VERSION in the same way we update the
 # featomic version for dev builds
 include(../../cmake/dev-versions.cmake)
-set(REQUIRED_FEATOMIC_TORCH_VERSION "0.7.4")
+set(REQUIRED_FEATOMIC_TORCH_VERSION "0.7.5")
 create_development_version("${REQUIRED_FEATOMIC_TORCH_VERSION}" FEATOMIC_TORCH_FULL_VERSION "featomic-torch-v")
 string(REGEX REPLACE "([0-9]*)\\.([0-9]*).*" "\\1.\\2" REQUIRED_FEATOMIC_TORCH_VERSION ${FEATOMIC_TORCH_FULL_VERSION})
 find_package(featomic_torch ${REQUIRED_FEATOMIC_TORCH_VERSION} REQUIRED)

diff --git a/featomic/CHANGELOG.md b/featomic/CHANGELOG.md
@@ -17,6 +17,13 @@ a changelog](https://keepachangelog.com/en/1.1.0/) format. This project follows
 ### Removed
 -->
 
+## [Version 0.6.7](https://github.com/metatensor/featomic/releases/tag/featomic-v0.6.7) - 2026-06-25
+
+### Added
+
+- `spherical_to_cartesian` python function, doing the inverse of
+  `cartesian_to_spherical`.
+
 ## [Version 0.6.6](https://github.com/metatensor/featomic/releases/tag/featomic-v0.6.6) - 2026-05-15
 
 ### Changed

diff --git a/featomic/CMakeLists.txt b/featomic/CMakeLists.txt
@@ -246,7 +246,7 @@ endif()
 #
 # When updating METATENSOR_FETCH_VERSION, you will also have to update the
 # SHA256 sum of the file in `FetchContent_Declare`.
-set(METATENSOR_FETCH_VERSION "0.2.0")
+set(METATENSOR_FETCH_VERSION "0.2.2")
 set(METATENSOR_REQUIRED_VERSION "0.2")
 if (FEATOMIC_FETCH_METATENSOR)
     message(STATUS "Fetching metatensor-core from github")
@@ -256,7 +256,7 @@ if (FEATOMIC_FETCH_METATENSOR)
     FetchContent_Declare(
         metatensor
         URL      ${URL_ROOT}/metatensor-core-v${METATENSOR_FETCH_VERSION}/metatensor-core-cxx-${METATENSOR_FETCH_VERSION}.tar.gz
-        URL_HASH SHA256=809a799b1c8d58b7ede3868d6ebe4123924ba31e4637481f9ca5c8a0ed14be17
+        URL_HASH SHA256=a104512516c8761080075e3ba7c023fcc1bb3430df7c67b25bded359a729e2ff
     )
 
     FetchContent_MakeAvailable(metatensor)

diff --git a/featomic/Cargo.toml b/featomic/Cargo.toml
@@ -1,6 +1,6 @@
 [package]
 name = "featomic"
-version = "0.6.6"
+version = "0.6.7"
 authors = ["Guillaume Fraux <guillaume.fraux@epfl.ch>"]
 edition = "2021"
 rust-version = "1.74"

diff --git a/featomic/include/featomic.hpp b/featomic/include/featomic.hpp
@@ -635,7 +635,7 @@ class Calculator {
             options.as_featomic_calculation_options_t()
         ));
 
-        return metatensor::TensorMap(descriptor);
+        return metatensor::TensorMap::unsafe_from_ptr(descriptor);
     }
 
     /// Runs a calculation for multiple `systems`
@@ -669,7 +669,7 @@ class Calculator {
             options.as_featomic_calculation_options_t()
         ));
 
-        return metatensor::TensorMap(descriptor);
+        return metatensor::TensorMap::unsafe_from_ptr(descriptor);
     }
 
     /// Get the underlying pointer to a `featomic_calculator_t`.

diff --git a/featomic/tests/cmake-project/CMakeLists.txt b/featomic/tests/cmake-project/CMakeLists.txt
@@ -5,7 +5,7 @@ project(featomic-test-cmake-project C CXX)
 # We need to update the REQUIRED_FEATOMIC_VERSION in the same way we update the
 # featomic version for dev builds
 include(../../cmake/dev-versions.cmake)
-set(REQUIRED_FEATOMIC_VERSION "0.6.6")
+set(REQUIRED_FEATOMIC_VERSION "0.6.7")
 create_development_version("${REQUIRED_FEATOMIC_VERSION}" FEATOMIC_FULL_VERSION "featomic-v")
 string(REGEX REPLACE "([0-9]*)\\.([0-9]*).*" "\\1.\\2" REQUIRED_FEATOMIC_VERSION ${FEATOMIC_FULL_VERSION})
 find_package(featomic ${REQUIRED_FEATOMIC_VERSION} REQUIRED)

diff --git a/python/featomic/build-backend/backend.py b/python/featomic/build-backend/backend.py
@@ -11,5 +11,5 @@ def get_requires_for_build_wheel(config_settings=None):
     defaults = build_meta.get_requires_for_build_wheel(config_settings)
     return defaults + [
         "cmake",
-        "metatensor-core >=0.2.0,<0.3",
+        "metatensor-core >=0.2.2,<0.3",
     ]
diff --git a/python/featomic/featomic/clebsch_gordan/_backend.py b/python/featomic/featomic/clebsch_gordan/_backend.py
@@ -53,5 +53,3 @@ class TorchDType:
 Array = Union[np.ndarray, TorchTensor]
 DType = Union[np.dtype, TorchDType]
 Device = Union[str, TorchDevice]
-
-BACKEND_IS_METATENSOR_TORCH = False
diff --git a/python/featomic/featomic/clebsch_gordan/_coefficients.py b/python/featomic/featomic/clebsch_gordan/_coefficients.py
@@ -11,7 +11,6 @@
 
 from . import _dispatch
 from ._backend import (
-    BACKEND_IS_METATENSOR_TORCH,
     Array,
     Device,
     DType,
@@ -84,11 +83,7 @@ def calculate_cg_coefficients(
 
         complex_like = torch.empty(0, dtype=complex_dtype, device=device)
         real_like = torch.empty(0, dtype=dtype, device=device)
-        if BACKEND_IS_METATENSOR_TORCH:
-            labels_values_like = torch.empty(0, dtype=torch.int32, device=device)
-        else:
-            # we are using metatensor-core with torch arrays
-            labels_values_like = np.empty(0, dtype=np.int32)
+        labels_values_like = torch.empty(0, dtype=torch.int32, device=device)
     else:
         assert arrays_backend == "numpy"
         if dtype == np.float32:
@@ -110,7 +105,6 @@ def calculate_cg_coefficients(
     cg_coeff_dict = _build_dense_cg_coeff_dict(
         lambda_max,
         complex_like,
-        labels_values_like,
         arrays_backend=arrays_backend,
         dtype=dtype,
         device=device,
@@ -137,7 +131,6 @@ def calculate_cg_coefficients(
 def _build_dense_cg_coeff_dict(
     lambda_max: int,
     complex_like: Array,
-    labels_values_like: Array,
     arrays_backend: str,
     dtype: DType,
     device: Device,
@@ -575,9 +568,12 @@ def _cg_couple_dense(
     l1 = (array.shape[1] - 1) // 2
     l2 = (array.shape[2] - 1) // 2
 
-    cg_l1l2lam = (-1) ** (l1 + l2 + o3_lambda) * cg_coefficients.block(
-        {"l1": l1, "l2": l2, "lambda": o3_lambda}
-    ).values
+    key = Labels(
+        ["l1", "l2", "lambda"],
+        _dispatch.int_array_like([[l1, l2, o3_lambda]], cg_coefficients.keys.values),
+    )
+
+    cg_l1l2lam = (-1) ** (l1 + l2 + o3_lambda) * cg_coefficients.block(key).values
 
     return _dispatch.tensordot(array, cg_l1l2lam[0, ..., 0], axes=([2, 1], [1, 0]))
 

diff --git a/python/featomic/pyproject.toml b/python/featomic/pyproject.toml
@@ -25,7 +25,7 @@ classifiers = [
 ]
 
 dependencies = [
-    "metatensor-core >=0.2.0,<0.3",
+    "metatensor-core >=0.2.2,<0.3",
     "metatensor-operations >=0.5.0,<0.6",
     "wigners",
 ]

diff --git a/python/featomic_torch/build-backend/backend.py b/python/featomic_torch/build-backend/backend.py
@@ -23,7 +23,7 @@
     FEATOMIC_DEP = f"featomic @ {FEATOMIC_SRC.as_uri()}"
 else:
     # we are building from a sdist
-    FEATOMIC_DEP = "featomic >=0.6.6,<0.7"
+    FEATOMIC_DEP = "featomic >=0.6.7,<0.7"
 
 FORCED_TORCH_VERSION = os.environ.get("FEATOMIC_TORCH_BUILD_WITH_TORCH_VERSION")
 if FORCED_TORCH_VERSION is not None:
@@ -43,7 +43,7 @@ def get_requires_for_build_wheel(config_settings=None):
     return defaults + [
         "cmake",
         TORCH_DEP,
-        "metatensor-torch >=0.9.0,<0.10",
-        "metatomic-torch >=0.1.12,<0.2",
+        "metatensor-torch >=0.10.0,<0.11",
+        "metatomic-torch >=0.1.15,<0.2",
         FEATOMIC_DEP,
     ]
diff --git a/python/featomic_torch/featomic/torch/clebsch_gordan.py b/python/featomic_torch/featomic/torch/clebsch_gordan.py
@@ -23,8 +23,6 @@
 # This module only exposes a handful of things, defined here. Any changes here MUST also
 # be made to the `featomic/clebsch_gordan/_backend.py` file, which is used in
 # non-TorchScript mode.
-module.__dict__["BACKEND_IS_METATENSOR_TORCH"] = True
-
 module.__dict__["Labels"] = metatensor.torch.Labels
 module.__dict__["TensorBlock"] = metatensor.torch.TensorBlock
 module.__dict__["TensorMap"] = metatensor.torch.TensorMap

diff --git a/python/featomic_torch/setup.py b/python/featomic_torch/setup.py
@@ -346,8 +346,8 @@ def create_version_number(version):
 
     install_requires = [
         f"torch {torch_version}",
-        "metatensor-torch >=0.9.0,<0.10",
-        "metatomic-torch >=0.1.12,<0.2",
+        "metatensor-torch >=0.10.0,<0.11",
+        "metatomic-torch >=0.1.15,<0.2",
     ]
 
     # when packaging a sdist for release, we should never use local dependencies

diff --git a/tox.ini b/tox.ini
@@ -21,11 +21,11 @@ lint-folders = "{toxinidir}/python" "{toxinidir}/setup.py"
 # we need to manually install dependencies for featomic, since tox will install
 # the fresh wheel with `--no-deps` after building it.
 metatensor-core-requirement =
-    metatensor-core >=0.2.0,<0.3
+    metatensor-core >=0.2.2,<0.3
 
 metatensor-torch-requirement =
-    metatensor-torch >=0.9.0,<0.10
-    metatomic-torch >=0.1.12,<0.2
+    metatensor-torch >=0.10.0,<0.11
+    metatomic-torch >=0.1.15,<0.2
 
 build-single-wheel = --no-deps --no-build-isolation --check-build-dependencies
 warning_options =