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Merged
Luthaf merged 2 commits into from
Jan 28, 2026
+32 −27
Merged

chore(pytorch): bump for 2.10 #143

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757b14c
chore(pytorch): bump for 2.10
HaoZeke Jan 23, 2026
b3c9559
Do not error on deprecated torch script
Luthaf Jan 28, 2026
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28 changes: 15 additions & 13 deletions .github/workflows/build-wheels.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -31,7 +31,7 @@ jobs:
matrix:
os: ['ubuntu-24.04', 'ubuntu-24.04-arm', 'macos-15-intel', 'macos-15', 'windows-2022']
arch: ['arm64', 'x86_64']
torch-version: ['2.1', '2.2', '2.3', '2.4', '2.5', '2.6', '2.7', '2.8', '2.9']
torch-version: ['2.1', '2.2', '2.3', '2.4', '2.5', '2.6', '2.7', '2.8', '2.9', '2.10']
exclude:
# remove mismatched arch-os combinations
- {os: macos-15-intel, arch: arm64}
Expand All @@ -47,6 +47,7 @@ jobs:
- {os: macos-15-intel, arch: x86_64, torch-version: '2.7'}
- {os: macos-15-intel, arch: x86_64, torch-version: '2.8'}
- {os: macos-15-intel, arch: x86_64, torch-version: '2.9'}
- {os: macos-15-intel, arch: x86_64, torch-version: '2.10'}
include:
# add `cibw-arch` and `rust-target` to the different configurations
- name: x86_64 Linux
Expand Down Expand Up @@ -84,6 +85,7 @@ jobs:
- {torch-version: '2.7', cibw-python: 'cp312-*'}
- {torch-version: '2.8', cibw-python: 'cp312-*'}
- {torch-version: '2.9', cibw-python: 'cp312-*'}
- {torch-version: '2.10', cibw-python: 'cp312-*'}
steps:
- uses: actions/checkout@v6
with:
Expand Down Expand Up @@ -311,16 +313,16 @@ jobs:
include:
- os: ubuntu-24.04
rust-target: x86_64-unknown-linux-gnu
torch-version: "2.9"
libtorch-url: https://download.pytorch.org/libtorch/cpu/libtorch-shared-with-deps-2.9.0%2Bcpu.zip
torch-version: "2.10"
libtorch-url: https://download.pytorch.org/libtorch/cpu/libtorch-shared-with-deps-2.10.0%2Bcpu.zip
- os: macos-15
rust-target: aarch64-apple-darwin
torch-version: "2.9"
libtorch-url: https://download.pytorch.org/libtorch/cpu/libtorch-macos-arm64-2.9.0.zip
torch-version: "2.10"
libtorch-url: https://download.pytorch.org/libtorch/cpu/libtorch-macos-arm64-2.10.0.zip
- os: windows-2022
rust-target: x86_64-pc-windows-msvc
torch-version: "2.9"
libtorch-url: https://download.pytorch.org/libtorch/cpu/libtorch-win-shared-with-deps-2.9.0%2Bcpu.zip
torch-version: "2.10"
libtorch-url: https://download.pytorch.org/libtorch/cpu/libtorch-win-shared-with-deps-2.10.0%2Bcpu.zip
steps:
- uses: actions/checkout@v6
with:
Expand All @@ -344,9 +346,9 @@ jobs:

- name: setup libmetatensor
run: |
curl -L -O https://github.com/metatensor/metatensor/releases/download/metatensor-core-v0.1.17/metatensor-core-cxx-0.1.17.tar.gz
tar xf metatensor-core-cxx-0.1.17.tar.gz
cmake -B build-metatensor -S metatensor-core-cxx-0.1.17 \
curl -L -O https://github.com/metatensor/metatensor/releases/download/metatensor-core-v0.1.19/metatensor-core-cxx-0.1.19.tar.gz
tar xf metatensor-core-cxx-0.1.19.tar.gz
cmake -B build-metatensor -S metatensor-core-cxx-0.1.19 \
-DMETATENSOR_INSTALL_BOTH_STATIC_SHARED=OFF \
-DCMAKE_INSTALL_PREFIX=$CMAKE_PREFIX_PATH \
-DCMAKE_BUILD_TYPE=Debug
Expand All @@ -355,9 +357,9 @@ jobs:

- name: setup libmetatensor-torch
run: |
curl -L -O https://github.com/metatensor/metatensor/releases/download/metatensor-torch-v0.8.2/metatensor-torch-cxx-0.8.2.tar.gz
tar xf metatensor-torch-cxx-0.8.2.tar.gz
cmake -B build-metatensor-torch -S metatensor-torch-cxx-0.8.2 \
curl -L -O https://github.com/metatensor/metatensor/releases/download/metatensor-torch-v0.8.4/metatensor-torch-cxx-0.8.4.tar.gz
tar xf metatensor-torch-cxx-0.8.4.tar.gz
cmake -B build-metatensor-torch -S metatensor-torch-cxx-0.8.4 \
-DCMAKE_INSTALL_PREFIX=$CMAKE_PREFIX_PATH \
-DCMAKE_BUILD_TYPE=Debug
cmake --build build-metatensor-torch --config Debug
Expand Down
8 changes: 4 additions & 4 deletions .github/workflows/torch-tests.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -23,16 +23,16 @@ jobs:
numpy-version-pin: "<2.0"
- os: ubuntu-24.04
python-version: "3.10"
torch-version: "2.9"
torch-version: "2.10"
- os: ubuntu-24.04
python-version: "3.13"
torch-version: "2.9"
torch-version: "2.10"
- os: macos-15
python-version: "3.13"
torch-version: "2.9"
torch-version: "2.10"
- os: windows-2022
python-version: "3.13"
torch-version: "2.9"
torch-version: "2.10"
steps:
- uses: actions/checkout@v6
with:
Expand Down
1 change: 1 addition & 0 deletions metatomic-torch/CHANGELOG.md
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Original file line number Diff line number Diff line change
Expand Up @@ -26,6 +26,7 @@ a changelog](https://keepachangelog.com/en/1.1.0/) format. This project follows

### Added

- Added support for torch v2.10
- Added support for loading TorchScript extensions from deepmd-kit (#98)

## [Version 0.1.6](https://github.com/metatensor/metatomic/releases/tag/metatomic-torch-v0.1.6) - 2025-11-14
Expand Down
2 changes: 2 additions & 0 deletions pyproject.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -64,6 +64,8 @@ filterwarnings = [
"ignore:ast.Str is deprecated and will be removed in Python 3.14:DeprecationWarning",
"ignore:Attribute s is deprecated and will be removed in Python 3.14:DeprecationWarning",
"ignore:ast.NameConstant is deprecated and will be removed in Python 3.14:DeprecationWarning",
"ignore:`torch.jit.script` is deprecated. Please switch to `torch.compile` or `torch.export`:DeprecationWarning",
"ignore:`torch.jit.save` is deprecated. Please switch to `torch.export`:DeprecationWarning",
]

### ======================================================================== ###
Expand Down
20 changes: 10 additions & 10 deletions tox.ini
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Original file line number Diff line number Diff line change
Expand Up @@ -57,7 +57,7 @@ description =
deps =
{[testenv]packaging_deps}
{[testenv]metatensor_deps}
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.9}.*
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.10}.*

commands =
pip wheel python/metatomic_torch {[testenv]build_single_wheel} --wheel-dir {envtmpdir}/dist
Expand All @@ -73,7 +73,7 @@ package = skip
deps =
cmake
{[testenv]metatensor_deps}
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.9}.*
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.10}.*

commands =
# configure cmake
Expand All @@ -82,7 +82,7 @@ commands =
-DCMAKE_EXPORT_COMPILE_COMMANDS=ON \
-DCMAKE_PREFIX_PATH={env_site_packages_dir}/metatensor/;\
{env_site_packages_dir}/torch/;\
{env_site_packages_dir}/metatensor/torch/torch-{env:METATOMIC_TESTS_TORCH_VERSION:2.9}/ \
{env_site_packages_dir}/metatensor/torch/torch-{env:METATOMIC_TESTS_TORCH_VERSION:2.10}/ \
-DMETATOMIC_TORCH_TESTS=ON

# build code with cmake
Expand All @@ -97,7 +97,7 @@ package = skip
deps =
cmake
{[testenv]metatensor_deps}
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.9}.*
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.10}.*

commands =
# configure, build and install metatomic-torch
Expand All @@ -106,7 +106,7 @@ commands =
-DCMAKE_INSTALL_PREFIX={env_dir}/usr/ \
-DCMAKE_PREFIX_PATH={env_site_packages_dir}/metatensor/;\
{env_site_packages_dir}/torch/;\
{env_site_packages_dir}/metatensor/torch/torch-{env:METATOMIC_TESTS_TORCH_VERSION:2.9}/ \
{env_site_packages_dir}/metatensor/torch/torch-{env:METATOMIC_TESTS_TORCH_VERSION:2.10}/ \
-DCMAKE_BUILD_WITH_INSTALL_RPATH=ON \
-DCMAKE_INSTALL_RPATH_USE_LINK_PATH=ON
cmake --build {env_dir}/build-metatomic-torch --config Debug --parallel --target install
Expand All @@ -116,7 +116,7 @@ commands =
-DCMAKE_BUILD_TYPE=Debug \
-DCMAKE_PREFIX_PATH={env_site_packages_dir}/metatensor/;\
{env_site_packages_dir}/torch/;\
{env_site_packages_dir}/metatensor/torch/torch-{env:METATOMIC_TESTS_TORCH_VERSION:2.9}/;\
{env_site_packages_dir}/metatensor/torch/torch-{env:METATOMIC_TESTS_TORCH_VERSION:2.10}/;\
{env_dir}/usr/ \
-DUSE_CMAKE_SUBDIRECTORY=OFF

Expand All @@ -128,7 +128,7 @@ commands =
-DCMAKE_BUILD_TYPE=Debug \
-DCMAKE_PREFIX_PATH={env_site_packages_dir}/metatensor/;\
{env_site_packages_dir}/torch/;\
{env_site_packages_dir}/metatensor/torch/torch-{env:METATOMIC_TESTS_TORCH_VERSION:2.9}/ \
{env_site_packages_dir}/metatensor/torch/torch-{env:METATOMIC_TESTS_TORCH_VERSION:2.10}/ \
-DUSE_CMAKE_SUBDIRECTORY=ON

cmake --build {env_dir}/build-subdirectory --config Debug --parallel
Expand All @@ -143,7 +143,7 @@ description = Run the tests of the metatomic-torch Python package
deps =
{[testenv]testing_deps}
{[testenv]metatensor_deps}
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.9}.*
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.10}.*
numpy {env:METATOMIC_TESTS_NUMPY_VERSION_PIN}
vesin
ase
Expand All @@ -170,7 +170,7 @@ description = Run the doctests defined in any metatomic package
deps =
{[testenv]testing_deps}

torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.9}.*
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.10}.*
numpy {env:METATOMIC_TESTS_NUMPY_VERSION_PIN}
vesin
ase
Expand Down Expand Up @@ -227,7 +227,7 @@ deps =
sphinxcontrib-details-directive # hide some information by default in HTML

# required for autodoc
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.9}.*
torch=={env:METATOMIC_TESTS_TORCH_VERSION:2.10}.*

# required for examples
ase
Expand Down
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