Drop torch <2.3 and add support for torch 2.9

.github/workflows/build-wheels.yml

@@ -99,23 +99,15 @@ jobs:
     name: ${{ matrix.name }} (torch v${{ matrix.torch-version }})
     strategy:
       matrix:
-        torch-version: ['2.1', '2.2', '2.3', '2.4', '2.5', '2.6', '2.7', '2.8']
+        torch-version: ['2.3', '2.4', '2.5', '2.6', '2.7', '2.8', '2.9']
         arch: ['arm64', 'x86_64']
-        os: ['ubuntu-24.04', 'ubuntu-24.04-arm', 'macos-15-intel', 'macos-15', 'windows-2022']
+        os: ['ubuntu-24.04', 'ubuntu-24.04-arm', 'macos-15', 'windows-2022']
         exclude:
           # remove mismatched arch-os combinations
-          - {os: macos-15-intel, arch: arm64}
           - {os: windows-2022, arch: arm64}
           - {os: ubuntu-24.04, arch: arm64}
           - {os: macos-15, arch: x86_64}
           - {os: ubuntu-24.04-arm, arch: x86_64}
-          # arch x86_64 on macos is only supported for torch <2.3
-          - {os: macos-15-intel, arch: x86_64, torch-version: '2.3'}
-          - {os: macos-15-intel, arch: x86_64, torch-version: '2.4'}
-          - {os: macos-15-intel, arch: x86_64, torch-version: '2.5'}
-          - {os: macos-15-intel, arch: x86_64, torch-version: '2.6'}
-          - {os: macos-15-intel, arch: x86_64, torch-version: '2.7'}
-          - {os: macos-15-intel, arch: x86_64, torch-version: '2.8'}
         include:
           # add `cibw-arch` and `rust-target` to the different configurations
           - name: x86_64 Linux
@@ -128,11 +120,6 @@ jobs:
             arch: arm64
             rust-target: aarch64-unknown-linux-gnu
             cibw-arch: aarch64
-          - name: x86_64 macOS
-            os: macos-15-intel
-            arch: x86_64
-            rust-target: x86_64-apple-darwin
-            cibw-arch: x86_64
           - name: arm64 macOS
             os: macos-15
             arch: arm64
@@ -144,14 +131,13 @@ jobs:
             rust-target: x86_64-pc-windows-msvc
             cibw-arch: AMD64
           # add the right python version image for each torch version
-          - {torch-version: '2.1', cibw-python: 'cp311-*'}
-          - {torch-version: '2.2', cibw-python: 'cp312-*'}
           - {torch-version: '2.3', cibw-python: 'cp312-*'}
           - {torch-version: '2.4', cibw-python: 'cp312-*'}
           - {torch-version: '2.5', cibw-python: 'cp312-*'}
           - {torch-version: '2.6', cibw-python: 'cp312-*'}
           - {torch-version: '2.7', cibw-python: 'cp312-*'}
           - {torch-version: '2.8', cibw-python: 'cp312-*'}
+          - {torch-version: '2.9', cibw-python: 'cp312-*'}
     steps:
       - uses: actions/checkout@v4
         with:
@@ -233,9 +219,6 @@ jobs:
           - name: arm64 Linux
             os: ubuntu-24.04-arm
             arch: arm64
-          - name: x86_64 macOS
-            os: macos-15-intel
-            arch: x86_64
           - name: arm64 macOS
             os: macos-15
             arch: arm64

.github/workflows/torch-tests.yml

@@ -19,12 +19,12 @@ jobs:
       matrix:
         include:
           - os: ubuntu-24.04
-            torch-version: "2.1"
+            torch-version: "2.3"
             python-version: "3.10"
             cargo-test-flags: --release
 
           - os: ubuntu-24.04
-            torch-version: "2.8"
+            torch-version: "2.9"
             python-version: "3.13"
             cargo-test-flags: --release
             do-valgrind: true
@@ -33,18 +33,18 @@ jobs:
           - os: ubuntu-24.04
             container: ubuntu:22.04
             extra-name: ", cmake 3.22"
-            torch-version: "2.8"
+            torch-version: "2.9"
             python-version: "3.13"
             cargo-test-flags: ""
             cxx-flags: -fsanitize=undefined -fsanitize=address -fno-omit-frame-pointer -g
 
           - os: macos-15
-            torch-version: "2.8"
+            torch-version: "2.9"
             python-version: "3.13"
             cargo-test-flags: --release
 
           - os: windows-2022
-            torch-version: "2.8"
+            torch-version: "2.9"
             python-version: "3.13"
             cargo-test-flags: --release
 

featomic-torch/CHANGELOG.md

@@ -20,6 +20,7 @@ a changelog](https://keepachangelog.com/en/1.1.0/) format. This project follows
 ### Changed
 
 - We now require Python >= 3.10
+- Added support for torch v2.9, removed support for torch 2.1 and 2.2
 
 ## [Version 0.7.1](https://github.com/metatensor/featomic/releases/tag/featomic-torch-v0.7.1) - 2025-09-17
 

featomic-torch/CMakeLists.txt

@@ -110,7 +110,7 @@ endif()
 # fixed version in `cmake/FindCUDNN.cmake`
 set(CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake;${CMAKE_MODULE_PATH}")
 
-find_package(Torch 2.1 REQUIRED)
+find_package(Torch 2.3 REQUIRED)
 
 # ============================================================================ #
 # Setup metatensor_torch
@@ -122,7 +122,7 @@ find_package(Torch 2.1 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 "0.8.0")
+set(METATENSOR_TORCH_FETCH_VERSION "0.8.2")
 set(REQUIRED_METATENSOR_TORCH_VERSION "0.8")
 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=61d383ce958deafe0e3916088185527680c9118588722b17ec5c39cfbaa6da55
+        URL_HASH SHA256=0be618d0cdcfca86cd0c25f47d360b6a2410ebb09ece8d21f153e933ce64bb55
     )
 
     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 "0.1.4")
+set(METATOMIC_TORCH_FETCH_VERSION "0.1.7")
 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=385ec8b8515d674b6a9f093f724792b2469e7ea2365ca596f574b64e38494f94
+        URL_HASH SHA256=726f5711b70c4b8cc80d9bc6c3ce6f3449f31d20acc644ab68dab083aa4ea572
     )
 
     FetchContent_MakeAvailable(metatomic_torch)

featomic-torch/tests/utils/mod.rs

@@ -84,7 +84,7 @@ pub fn setup_pytorch(build_dir: PathBuf) -> PathBuf {
         .expect("failed to run python");
     assert!(status.success(), "failed to run `python -m pip install --upgrade pip`");
 
-    let torch_version = std::env::var("FEATOMIC_TORCH_TEST_VERSION").unwrap_or("2.8.*".into());
+    let torch_version = std::env::var("FEATOMIC_TORCH_TEST_VERSION").unwrap_or("2.9.*".into());
     let status = Command::new(&python)
         .arg("-m")
         .arg("pip")