vesin-torch: Add version 0.6.1

.github/workflows/build-vesin-torch.yml

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+# SPDX-FileCopyrightText: 2026 The RISE Project
+# SPDX-License-Identifier: MIT
+---
+# This workflow is based on the `build-torch-wheels` job of
+# https://github.com/Luthaf/vesin/blob/v0.6.1/.github/workflows/build-wheels.yml
+name: Build vesin-torch wheels (riscv64)
+
+on:
+  workflow_dispatch:
+    inputs:
+      version:
+        description: 'Version glob to (re)build; empty builds every version of docs/packages/vesin-torch.yaml not released yet'
+        required: false
+        default: ''
+  pull_request:
+    branches: [main]
+    paths:
+      - '.github/workflows/build-vesin-torch.yml'
+      - 'docs/packages/vesin-torch.yaml'
+  push:
+    branches: [main]
+    paths:
+      - '.github/workflows/build-vesin-torch.yml'
+      - 'docs/packages/vesin-torch.yaml'
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.head_ref || github.run_id }}
+  cancel-in-progress: true
+
+permissions:
+  contents: read  # to fetch code (actions/checkout)
+
+env:
+  MANYLINUX_RISCV64_IMAGE: quay.io/pypa/manylinux_2_39_riscv64
+  GPULITE_COMMIT: 6c221167aeca7e113ea6f27e9a2e12391bdb189a  # mts-v1.3.0, pinned in vesin/CMakeLists.txt
+  # Our registry only has the torch release the ladybug/torchaudio ports already built.
+  TORCH_VERSION: '2.13'
+
+jobs:
+  setup:
+    uses: $/.github/workflows/_setup.yml
+    with:
+      package: vesin-torch
+      version: ${{ inputs.version }}
+
+  build_wheels:
+    needs: [setup]
+    if: needs.setup.outputs.versions != '[]'
+    strategy:
+      fail-fast: false
+      matrix:
+        version: ${{ fromJSON(needs.setup.outputs.versions) }}
+    name: Build vesin-torch ${{ matrix.version }} py3-none-manylinux_riscv64
+    runs-on: ubuntu-24.04-riscv
+    timeout-minutes: 90
+
+    env:
+      VESIN_TORCH_VERSION: ${{ matrix.version }}
+
+    steps:
+      - name: Checkout vesin v${{ env.VESIN_TORCH_VERSION }}
+        uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1  # v7.0.1
+        with:
+          repository: Luthaf/vesin
+          ref: v${{ env.VESIN_TORCH_VERSION }}
+          persist-credentials: false
+
+      # setup.py's `universal_wheel` forces py3-none, so one build serves every
+      # interpreter. The wheel statically links gpulite (fetched by CMake) and
+      # dynamically links torch; none of their licences reach
+      # python/vesin_torch's pyproject.toml glob root, so upstream ships none.
+      - name: Stage the vesin and gpulite licences
+        run: |
+          cp LICENSE python/vesin_torch/LICENSE
+          curl -fsSL --retry 5 "https://raw.githubusercontent.com/metatensor/gpu-lite/${{ env.GPULITE_COMMIT }}/LICENSE" -o python/vesin_torch/LICENSE.gpulite
+
+      - uses: pypa/cibuildwheel@1828c10ab37f080699c7b81cea34097c684a7074  # v4.2.0
+        with:
+          package-dir: python/vesin_torch
+          output-dir: wheelhouse/
+          only: cp312-manylinux_riscv64
+        env:
+          CIBW_MANYLINUX_RISCV64_IMAGE: ${{ env.MANYLINUX_RISCV64_IMAGE }}
+          CIBW_BUILD_FRONTEND: build
+          # The build backend (python/vesin_torch/build-backend/backend.py) adds
+          # cmake + torch==<VESIN_TORCH_BUILD_WITH_TORCH_VERSION>.* as dynamic
+          # build-time requirements, resolved from our registry like upstream
+          # resolves them from download.pytorch.org.
+          VESIN_TORCH_BUILD_WITH_TORCH_VERSION: ${{ env.TORCH_VERSION }}
+          CIBW_ENVIRONMENT: >-
+            PIP_EXTRA_INDEX_URL=https://pypi.riseproject.dev/simple/
+            PIP_ONLY_BINARY=cmake,torch,numpy
+            VESIN_TORCH_BUILD_WITH_TORCH_VERSION=${{ env.TORCH_VERSION }}.*
+          # vesin_torch links libtorch/libc10 (provided by the torch wheel at
+          # runtime, loaded RTLD_GLOBAL before vesin_torch is), same as our
+          # torchaudio port; excluding them keeps auditwheel from vendoring them.
+          CIBW_REPAIR_WHEEL_COMMAND_LINUX: >-
+            auditwheel repair -w {dest_dir} {wheel}
+            --exclude libtorch.so
+            --exclude libtorch_cpu.so
+            --exclude libtorch_python.so
+            --exclude libtorch_global_deps.so
+            --exclude libc10.so
+            --exclude libgomp.so.1
+          # numpy is not a vesin-torch test dependency, but without it `import
+          # torch` warns "Failed to initialize NumPy", which the tests'
+          # `filterwarnings = ["error"]` turns into a collection error.
+          # Upstream gets numpy transitively through ase (tox optional_deps).
+          CIBW_TEST_REQUIRES: pytest numpy torch==${{ env.TORCH_VERSION }}.*
+          # {project} is the checkout root, not package-dir, since
+          # python/vesin_torch's CMakeLists.txt needs the sibling top-level
+          # vesin/ and vesin-torch/ (C++ library) directories.
+          # test_metatomic.py needs metatensor-torch/metatomic-torch, neither
+          # of which this registry carries; deselect it rather than the whole file.
+          CIBW_TEST_COMMAND: >-
+            python -c "import importlib.metadata as md;
+            assert {p.name for p in md.files('vesin_torch') if 'licenses' in str(p)} == {'LICENSE', 'LICENSE.gpulite'}" &&
+            python {project}/scripts/pytest-dont-rewrite-torch.py &&
+            pytest {project}/python/vesin_torch/tests --ignore={project}/python/vesin_torch/tests/test_metatomic.py
+
+      - uses: actions/upload-artifact@043fb46d1a93c77aae656e7c1c64a875d1fc6a0a  # v7.0.1
+        with:
+          name: vesin-torch-${{ env.VESIN_TORCH_VERSION }}-py3-none-manylinux_riscv64
+          path: wheelhouse/*.whl
+          if-no-files-found: error
+
+  publish:
+    name: Publish vesin-torch ${{ matrix.version }}
+    needs: [setup, build_wheels]
+    if: needs.setup.outputs.versions != '[]'
+    strategy:
+      fail-fast: false
+      matrix:
+        version: ${{ fromJSON(needs.setup.outputs.versions) }}
+    permissions:
+      contents: write
+      pull-requests: write
+    uses: $/.github/workflows/_publish-wheel.yml
+    secrets:
+      app-private-key: ${{ secrets.RISEPROJECT_APP_PRIVATE_KEY }}
+    with:
+      artifact-pattern: vesin-torch-${{ matrix.version }}-*-manylinux_riscv64

docs/packages/vesin-torch.yaml

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+package-name: vesin-torch
+source-code: https://github.com/Luthaf/vesin/
+license: BSD-3-Clause
+versions:
+- version: 0.6.1