luhenry · Oct 14, 2026
diff --git a/.github/workflows/build-tblite.yml b/.github/workflows/build-tblite.yml
@@ -0,0 +1,194 @@
+# SPDX-FileCopyrightText: 2026 The RISE Project
+# SPDX-License-Identifier: MIT
+---
+# This workflow is based on the `sdist` and `wheels` jobs of
+# https://github.com/tblite/tblite/blob/v0.7.0/.github/workflows/wheel.yml
+name: Build tblite wheels (riscv64)
+
+on:
+  workflow_dispatch:
+    inputs:
+      version:
+        description: 'Version glob to (re)build; empty builds every version of docs/packages/tblite.yaml not released yet'
+        required: false
+        default: ''
+  pull_request:
+    branches: [main]
+    paths:
+      - '.github/workflows/build-tblite.yml'
+      - 'docs/packages/tblite.yaml'
+  push:
+    branches: [main]
+    paths:
+      - '.github/workflows/build-tblite.yml'
+      - 'docs/packages/tblite.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
+
+jobs:
+  setup:
+    uses: $/.github/workflows/_setup.yml
+    with:
+      package: tblite
+      version: ${{ inputs.version }}
+
+  build_sdist:
+    needs: [setup]
+    if: needs.setup.outputs.versions != '[]'
+    strategy:
+      fail-fast: false
+      matrix:
+        version: ${{ fromJSON(needs.setup.outputs.versions) }}
+    name: Build tblite ${{ matrix.version }} sdist
+    runs-on: ubuntu-latest
+
+    env:
+      TBLITE_VERSION: ${{ matrix.version }}
+
+    steps:
+      - name: Checkout tblite v${{ env.TBLITE_VERSION }}
+        uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1  # v7.0.1
+        with:
+          repository: tblite/tblite
+          ref: v${{ env.TBLITE_VERSION }}
+          persist-credentials: false
+
+      - uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1  # v7.0.1
+        with:
+          path: python-wheels
+          persist-credentials: false
+
+      # Replaces upstream's micromamba python-env.yaml with the same build tools from PyPI.
+      - name: Install Python
+        uses: astral-sh/setup-uv@20cfd1bf945f4377ade1205e4dbc17946fc9a30d  # v10.0.1
+        with:
+          python-version: '3.12'
+          activate-environment: true
+          enable-cache: false
+
+      - name: Install LAPACK
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y liblapack-dev
+
+      - name: Reorganize repository
+        run: |
+          git config user.email ""
+          git config user.name "dummy"
+          git am python-wheels/patches/tblite/${{ env.TBLITE_VERSION }}/*.patch
+          git subtree add --prefix python/subprojects/tblite . HEAD
+
+      - name: Build sdist
+        run: |
+          uv pip install build meson-python 'meson!=1.8.0' ninja cffi numpy setuptools
+          python -m build python/ --sdist --outdir dist -n -Cdist-args="--include-subprojects"
+
+      - uses: actions/upload-artifact@043fb46d1a93c77aae656e7c1c64a875d1fc6a0a  # v7.0.1
+        with:
+          name: tblite-${{ env.TBLITE_VERSION }}-sdist
+          path: dist/*.tar.gz
+          if-no-files-found: error
+
+  build_wheels:
+    needs: [setup, build_sdist]
+    if: needs.setup.outputs.versions != '[]'
+    name: Build tblite ${{ matrix.version }} ${{ matrix.python }}-manylinux_riscv64
+    runs-on: ubuntu-24.04-riscv
+    timeout-minutes: 180
+    strategy:
+      fail-fast: false
+      matrix:
+        version: ${{ fromJSON(needs.setup.outputs.versions) }}
+        python: ["cp312", "cp313", "cp314", "cp314t"]
+
+    env:
+      TBLITE_VERSION: ${{ matrix.version }}
+
+    steps:
+      - name: Download sdist
+        uses: actions/download-artifact@3e5f45b2cfb9172054b4087a40e8e0b5a5461e7c  # v8.0.1
+        with:
+          name: tblite-${{ env.TBLITE_VERSION }}-sdist
+          path: dist/
+
+      - id: sdist_path
+        run: echo "path=$(echo dist/*.tar.gz)" >> "$GITHUB_OUTPUT"
+
+      - name: Build wheels
+        uses: pypa/cibuildwheel@1828c10ab37f080699c7b81cea34097c684a7074  # v4.2.0
+        with:
+          package-dir: ${{ steps.sdist_path.outputs.path }}
+          output-dir: wheelhouse/
+          only: ${{ matrix.python }}-manylinux_riscv64
+        env:
+          CIBW_MANYLINUX_RISCV64_IMAGE: ${{ env.MANYLINUX_RISCV64_IMAGE }}
+          CIBW_CONFIG_SETTINGS: setup-args="-Dtblite:openmp=false"
+          CIBW_REPAIR_WHEEL_COMMAND_LINUX: 'auditwheel repair -w {dest_dir} {wheel} --exclude libgomp.so.1'
+          CIBW_BEFORE_ALL_LINUX: yum install -y lapack-devel
+          CIBW_ENVIRONMENT: >-
+            PIP_EXTRA_INDEX_URL=https://pypi.riseproject.dev/simple/
+            PIP_ONLY_BINARY=numpy
+          # Upstream's wheel smoke test plus the `pytest --pyargs tblite` run of its build.yml.
+          CIBW_TEST_REQUIRES: pytest ase
+          CIBW_TEST_COMMAND: >-
+            python -c "import tblite.interface" &&
+            pytest --pyargs tblite -v &&
+            python -c "import importlib.metadata as m; names = [p.name for p in m.files('tblite')]; assert 'LICENSE.lapack' in names and 'COPYING.LESSER' in names, names"
+
+      - uses: actions/upload-artifact@043fb46d1a93c77aae656e7c1c64a875d1fc6a0a  # v7.0.1
+        with:
+          name: tblite-${{ env.TBLITE_VERSION }}-${{ matrix.python }}-manylinux_riscv64
+          path: wheelhouse/*.whl
+          if-no-files-found: error
+
+  gpl_sources:
+    needs: [setup]
+    if: needs.setup.outputs.versions != '[]'
+    strategy:
+      fail-fast: false
+      matrix:
+        version: ${{ fromJSON(needs.setup.outputs.versions) }}
+    # auditwheel vendors the image's libgfortran runtime.
+    name: Collect GPL sources (gcc) for tblite ${{ matrix.version }}
+    runs-on: ubuntu-24.04-riscv
+
+    steps:
+      - name: Collect gcc source RPM from manylinux_riscv64
+        uses: riseproject-dev/python-wheels/actions/collect-gpl-sources@main
+        with:
+          image: ${{ env.MANYLINUX_RISCV64_IMAGE }}
+          packages: gcc
+          output: gpl-sources.tar
+
+      - uses: actions/upload-artifact@043fb46d1a93c77aae656e7c1c64a875d1fc6a0a  # v7.0.1
+        with:
+          name: tblite-${{ matrix.version }}-gpl-sources
+          path: gpl-sources.tar
+          if-no-files-found: error
+
+  publish:
+    name: Publish tblite ${{ matrix.version }}
+    needs: [setup, build_wheels, gpl_sources]
+    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: ${{ secrets.RISEPROJECT_APP_PRIVATE_KEY }}
+    with:
+      artifact-pattern: tblite-${{ matrix.version }}-*-manylinux_riscv64
+      gpl-sources-artifact: tblite-${{ matrix.version }}-gpl-sources
+      gpl-sources-description: gcc
diff --git a/docs/packages/tblite.yaml b/docs/packages/tblite.yaml
@@ -0,0 +1,6 @@
+package-name: tblite
+source-code: https://github.com/tblite/tblite
+license: LGPL-3.0-or-later
+versions:
+- version: 0.7.0
+  patched: true
diff --git a/patches/tblite/0.7.0/0001-Ship-tblite-s-and-its-bundled-dependencies-licences-.patch b/patches/tblite/0.7.0/0001-Ship-tblite-s-and-its-bundled-dependencies-licences-.patch
@@ -0,0 +1,114 @@
+From 5d543c494eabd3ff015fd9a26d5cf6d0c0c2b9db Mon Sep 17 00:00:00 2001
+From: Ludovic Henry <git@ludovic.dev>
+Date: Wed, 14 Oct 2026 10:29:47 +0000
+Subject: [PATCH] Ship tblite's and its bundled dependencies' licences in the
+ wheel
+
+`license.text` is the legacy table form, and meson-python only writes
+`dist-info/licenses/` for files listed in `project.license-files` (it has
+no default glob), so the published wheels carry no licence text at all:
+not tblite's own LGPL-3.0 COPYING/COPYING.LESSER, not those of the meson
+subprojects statically linked into `_libtblite` (dftd4, s-dftd3 and ddx
+under LGPL-3.0; mctc-lib, mstore, multicharge, jonquil and toml-f under
+Apache-2.0/MIT), and not that of the reference LAPACK/BLAS libraries
+`auditwheel repair` vendors into `tblite.libs/`.
+
+Switch to the PEP 639 SPDX `license` string and list every one of those
+files. The subproject paths resolve because meson-python configures the
+project (downloading the wraps) before it validates the metadata, and
+they are part of the `--include-subprojects` sdist. LICENSE.lapack is
+Reference-LAPACK v3.12.0's LICENSE, the version of the manylinux_2_39
+image's lapack/blas packages (3.12.0-7.el10).
+
+Upstream-Status: To upstream [not submitted from this automated port run; needs a pull request against tblite/tblite]
+---
+ python/LICENSE.lapack | 48 +++++++++++++++++++++++++++++++++++++++++++
+ python/pyproject.toml | 17 ++++++++++++++-
+ 2 files changed, 64 insertions(+), 1 deletion(-)
+ create mode 100644 python/LICENSE.lapack
+
+diff --git a/python/LICENSE.lapack b/python/LICENSE.lapack
+new file mode 100644
+index 0000000..96b04c9
+--- /dev/null
++++ b/python/LICENSE.lapack
+@@ -0,0 +1,48 @@
++Copyright (c) 1992-2023 The University of Tennessee and The University
++                        of Tennessee Research Foundation.  All rights
++                        reserved.
++Copyright (c) 2000-2023 The University of California Berkeley. All
++                        rights reserved.
++Copyright (c) 2006-2023 The University of Colorado Denver.  All rights
++                        reserved.
++
++$COPYRIGHT$
++
++Additional copyrights may follow
++
++$HEADER$
++
++Redistribution and use in source and binary forms, with or without
++modification, are permitted provided that the following conditions are
++met:
++
++- Redistributions of source code must retain the above copyright
++  notice, this list of conditions and the following disclaimer.
++
++- Redistributions in binary form must reproduce the above copyright
++  notice, this list of conditions and the following disclaimer listed
++  in this license in the documentation and/or other materials
++  provided with the distribution.
++
++- Neither the name of the copyright holders nor the names of its
++  contributors may be used to endorse or promote products derived from
++  this software without specific prior written permission.
++
++The copyright holders provide no reassurances that the source code
++provided does not infringe any patent, copyright, or any other
++intellectual property rights of third parties.  The copyright holders
++disclaim any liability to any recipient for claims brought against
++recipient by any third party for infringement of that parties
++intellectual property rights.
++
++THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
++"AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
++LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
++A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
++OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
++SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
++LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
++DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
++THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
++(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
++OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+diff --git a/python/pyproject.toml b/python/pyproject.toml
+index 6f45cad..dfb38cd 100644
+--- a/python/pyproject.toml
++++ b/python/pyproject.toml
+@@ -12,7 +12,22 @@ name = "tblite"
+ version = "0.7.0"
+ description = "Light-weight tight-binding framework"
+ readme = "README.rst"
+-license.text = "LGPL-3.0-or-later"
++license = "LGPL-3.0-or-later"
++license-files = [
++  "LICENSE.lapack",
++  "subprojects/tblite/COPYING",
++  "subprojects/tblite/COPYING.LESSER",
++  "subprojects/dftd4/COPYING",
++  "subprojects/dftd4/COPYING.LESSER",
++  "subprojects/s-dftd3/COPYING",
++  "subprojects/s-dftd3/COPYING.LESSER",
++  "subprojects/ddx/LICENSE.txt",
++  "subprojects/mctc-lib/LICENSE",
++  "subprojects/mstore/LICENSE",
++  "subprojects/multicharge/LICENSE",
++  "subprojects/jonquil/LICENSE-*",
++  "subprojects/toml-f/LICENSE-*",
++]
+ urls.repository = "https://github.com/tblite/tblite"
+ urls.documentation = "https://tblite.readthedocs.io"
+ classifiers = [
+-- 
+2.43.0
+