molgr 0.1.2__tar.gz

molgr-0.1.2/.dockerignore

@@ -0,0 +1,18 @@
+.git
+.local
+.venv
+.venv-*
+.cache
+.tmp
+.sisyphus
+.omm
+build
+dist
+__pycache__
+.pytest_cache
+.mypy_cache
+.ruff_cache
+.coverage
+benchmarks/_runs
+benchmarks
+tests/data/reviewed/tmqmg

molgr-0.1.2/.gitea/workflows/ci.yaml

@@ -0,0 +1,506 @@
+name: Gitea CI/CD Workflow
+
+on:
+  push:
+    branches:
+      - main
+      - develop
+    tags:
+      - "v*"
+  pull_request:
+    branches:
+      - main
+  workflow_dispatch:
+
+env:
+  PYPI_INDEX_URL: https://mirrors.zju.edu.cn/pypi/web/simple
+  UV_INDEX: https://mirrors.zju.edu.cn/pypi/web/simple
+  UV_DEFAULT_INDEX: https://mirrors.zju.edu.cn/pypi/web/simple
+  PIP_INDEX_URL: https://mirrors.zju.edu.cn/pypi/web/simple
+  PIP_DEFAULT_TIMEOUT: "120"
+  SERVER_URL: ${{ vars.SERVER_URL }}
+  CIBW_CACHE_PATH: ${{ vars.CIBW_CACHE_PATH }}
+
+jobs:
+  lint:
+    name: Lint (ubuntu-latest, Py 3.11)
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout code
+        uses: http://nas.asymcatml.net:13000/actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Disable proxy for package installs
+        run: sh scripts/ci_disable_proxy.sh
+
+      - name: Install uv
+        run: sh scripts/ci_install_uv.sh
+
+      - name: Set up Python 3.11
+        run: |
+          "$UV_BIN" python install 3.11
+
+      - name: Install dependencies
+        run: |
+          "$UV_BIN" sync --python 3.11 --no-dev --no-install-project --index "$PYPI_INDEX_URL" --default-index "$PYPI_INDEX_URL"
+          "$UV_BIN" pip install --python 3.11 ruff --index "$PYPI_INDEX_URL" --default-index "$PYPI_INDEX_URL"
+
+      - name: Lint and format check
+        run: |
+          "$UV_BIN" run --no-sync --python 3.11 ruff check src
+          "$UV_BIN" run --no-sync --python 3.11 ruff format --check src
+
+  build-test-linux-matrix:
+    name: Build/Test ubuntu-latest Py${{ matrix.python-version }}
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12", "3.13", "3.14"]
+
+    steps:
+      - name: Checkout code
+        uses: http://nas.asymcatml.net:13000/actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Disable proxy for package installs
+        run: sh scripts/ci_disable_proxy.sh
+
+      - name: Install uv
+        run: sh scripts/ci_install_uv.sh
+
+      - name: Set up Python ${{ matrix.python-version }}
+        run: |
+          "$UV_BIN" python install ${{ matrix.python-version }}
+
+      - name: Install dependencies
+        run: |
+          "$UV_BIN" sync --python ${{ matrix.python-version }} --no-dev --no-install-project --index "$PYPI_INDEX_URL" --default-index "$PYPI_INDEX_URL"
+          "$UV_BIN" pip install --python ${{ matrix.python-version }} pytest pytest-cov pandas pybind11 scikit-build-core setuptools-scm typing-extensions 'rdkit-dof>=0.2.1' --index "$PYPI_INDEX_URL" --default-index "$PYPI_INDEX_URL"
+
+      - name: Ensure CMake available
+        run: |
+          "$UV_BIN" pip install --python ${{ matrix.python-version }} "cmake>=3.15" --index "$PYPI_INDEX_URL" --default-index "$PYPI_INDEX_URL"
+
+      - name: Build extension (editable install)
+        run: |
+          "$UV_BIN" pip install -e . -v --no-build-isolation --constraint ci/rdkit-constraints.txt --python ${{ matrix.python-version }} --index "$PYPI_INDEX_URL" --default-index "$PYPI_INDEX_URL"
+
+      - name: Compile smoke check
+        run: |
+          "$UV_BIN" run --no-sync --python ${{ matrix.python-version }} python -c "import molgr; import molgr._core"
+
+      - name: Run tests
+        run: |
+          "$UV_BIN" run --no-sync --python ${{ matrix.python-version }} pytest
+
+  build-internal-release-linux-x86_64-manylinux2014-wheels:
+    name: Build internal Linux x86_64 manylinux2014 wheel (${{ matrix.python_abi }})
+    needs: [lint, build-test-linux-matrix]
+    runs-on: ubuntu-latest
+    if: github.event_name == 'push' && (github.ref == 'refs/heads/develop' || (startsWith(github.ref, 'refs/tags/v') && (contains(github.ref_name, 'rc') || contains(github.ref_name, '.dev'))))
+    strategy:
+      fail-fast: false
+      matrix:
+        python_abi: ["cp38", "cp39", "cp310", "cp311", "cp312"]
+
+    steps:
+      - name: Checkout code
+        uses: http://nas.asymcatml.net:13000/actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Disable proxy for package installs
+        run: sh scripts/ci_disable_proxy.sh
+
+      - name: Validate prerelease tag is on main
+        if: startsWith(github.ref, 'refs/tags/')
+        run: |
+          git fetch origin main:refs/remotes/origin/main --prune
+          if ! git merge-base --is-ancestor "$GITHUB_SHA" refs/remotes/origin/main; then
+            echo "Prerelease tags must point to a commit reachable from origin/main."
+            exit 1
+          fi
+
+      - name: Install build tools
+        run: |
+          sh scripts/ci_install_uv.sh
+          sh scripts/ci_install_cibuildwheel.sh
+
+      - name: Build wheels via cibuildwheel
+        env:
+          CIBW_BUILD: ${{ matrix.python_abi }}-manylinux_*
+          CIBW_ARCHS_LINUX: x86_64
+          CIBW_MANYLINUX_X86_64_IMAGE: manylinux2014
+          CIBW_ENVIRONMENT: >
+            PIP_INDEX_URL=https://mirrors.zju.edu.cn/pypi/web/simple
+            PIP_DEFAULT_TIMEOUT=120
+          CIBW_ENVIRONMENT_LINUX: >
+            PIP_INDEX_URL=https://mirrors.zju.edu.cn/pypi/web/simple
+            PIP_DEFAULT_TIMEOUT=120
+            PIP_CONSTRAINT=/project/ci/rdkit-constraints.txt
+          CIBW_BUILD_VERBOSITY: "1"
+          CIBW_REPAIR_WHEEL_COMMAND_LINUX: >
+            sh -c 'libdir=$(python -c "import openbabel, os; print(os.path.join(os.path.dirname(openbabel.__file__), \"lib\"))");
+            case "{wheel}" in *cp38*|*cp39*) soname=libopenbabel.so.7 ;; *) soname=libopenbabel.so.8 ;; esac;
+            LD_LIBRARY_PATH="$libdir:${LD_LIBRARY_PATH:-}" auditwheel repair --exclude "$soname" -w {dest_dir} {wheel}'
+          CIBW_TEST_COMMAND: python -c "import molgr; import molgr._core; from molgr.interface import xyz_to_rdmol"
+        run: |
+          "$CIBUILDWHEEL" --platform linux
+
+      - name: Publish wheels to Gitea Registry
+        env:
+          UV_PUBLISH_USERNAME: ${{ secrets.OWNER }}
+          UV_PUBLISH_PASSWORD: ${{ secrets.PASSWORD }}
+        run: |
+          if [ -z "${SERVER_URL}" ]; then
+            echo "SERVER_URL is empty. Set repository variable SERVER_URL, for example: https://gitea.example.com:13000."
+            exit 1
+          fi
+          PUBLISH_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi"
+          CHECK_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi/simple"
+          "$UV_BIN" publish --publish-url "$PUBLISH_URL" --check-url "$CHECK_URL" wheelhouse/*.whl
+
+      - name: Cleanup cibuildwheel environment
+        if: always()
+        run: sh scripts/ci_cleanup_cibuildwheel.sh
+
+  build-internal-release-linux-aarch64-manylinux2014-wheels:
+    name: Build internal Linux aarch64 manylinux2014 wheel (${{ matrix.python_abi }})
+    needs: [lint, build-test-linux-matrix]
+    runs-on: ubuntu-24.04-arm64
+    if: github.event_name == 'push' && (github.ref == 'refs/heads/develop' || (startsWith(github.ref, 'refs/tags/v') && (contains(github.ref_name, 'rc') || contains(github.ref_name, '.dev'))))
+    strategy:
+      fail-fast: false
+      matrix:
+        python_abi: ["cp38", "cp39", "cp310", "cp311", "cp312"]
+
+    steps:
+      - name: Checkout code
+        uses: http://nas.asymcatml.net:13000/actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Disable proxy for package installs
+        run: sh scripts/ci_disable_proxy.sh
+
+      - name: Validate prerelease tag is on main
+        if: startsWith(github.ref, 'refs/tags/')
+        run: |
+          git fetch origin main:refs/remotes/origin/main --prune
+          if ! git merge-base --is-ancestor "$GITHUB_SHA" refs/remotes/origin/main; then
+            echo "Prerelease tags must point to a commit reachable from origin/main."
+            exit 1
+          fi
+
+      - name: Install build tools
+        run: |
+          sh scripts/ci_install_uv.sh
+          CIBUILDWHEEL_INDEX_URL=https://pypi.org/simple sh scripts/ci_install_cibuildwheel.sh
+
+      - name: Build wheels via cibuildwheel
+        env:
+          CIBW_BUILD: ${{ matrix.python_abi }}-manylinux_*
+          CIBW_ARCHS_LINUX: aarch64
+          CIBW_MANYLINUX_AARCH64_IMAGE: manylinux2014
+          CIBW_ENVIRONMENT: >
+            PIP_INDEX_URL=https://pypi.org/simple
+            PIP_DEFAULT_TIMEOUT=120
+          CIBW_ENVIRONMENT_LINUX: >
+            PIP_INDEX_URL=https://pypi.org/simple
+            PIP_DEFAULT_TIMEOUT=120
+            PIP_CONSTRAINT=/project/ci/rdkit-constraints.txt
+          CIBW_BUILD_VERBOSITY: "1"
+          CIBW_REPAIR_WHEEL_COMMAND_LINUX: >
+            sh -c 'libdir=$(python -c "import openbabel, os; print(os.path.join(os.path.dirname(openbabel.__file__), \"lib\"))");
+            case "{wheel}" in *cp38*|*cp39*) soname=libopenbabel.so.7 ;; *) soname=libopenbabel.so.8 ;; esac;
+            LD_LIBRARY_PATH="$libdir:${LD_LIBRARY_PATH:-}" auditwheel repair --exclude "$soname" -w {dest_dir} {wheel}'
+          CIBW_TEST_COMMAND: python -c "import molgr; import molgr._core; from molgr.interface import xyz_to_rdmol"
+        run: |
+          "$CIBUILDWHEEL" --platform linux
+
+      - name: Publish wheels to Gitea Registry
+        env:
+          UV_PUBLISH_USERNAME: ${{ secrets.OWNER }}
+          UV_PUBLISH_PASSWORD: ${{ secrets.PASSWORD }}
+        run: |
+          if [ -z "${SERVER_URL}" ]; then
+            echo "SERVER_URL is empty. Set repository variable SERVER_URL, for example: https://gitea.example.com:13000."
+            exit 1
+          fi
+          PUBLISH_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi"
+          CHECK_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi/simple"
+          "$UV_BIN" publish --publish-url "$PUBLISH_URL" --check-url "$CHECK_URL" wheelhouse/*.whl
+
+      - name: Cleanup cibuildwheel environment
+        if: always()
+        run: sh scripts/ci_cleanup_cibuildwheel.sh
+
+  build-internal-release-linux-x86_64-manylinux-2-28-wheels:
+    name: Build internal Linux x86_64 manylinux_2_28 wheel (${{ matrix.python_abi }})
+    needs: [lint, build-test-linux-matrix]
+    runs-on: ubuntu-latest
+    if: github.event_name == 'push' && (github.ref == 'refs/heads/develop' || (startsWith(github.ref, 'refs/tags/v') && (contains(github.ref_name, 'rc') || contains(github.ref_name, '.dev'))))
+    strategy:
+      fail-fast: false
+      matrix:
+        python_abi: ["cp313", "cp314"]
+
+    steps:
+      - name: Checkout code
+        uses: http://nas.asymcatml.net:13000/actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Disable proxy for package installs
+        run: sh scripts/ci_disable_proxy.sh
+
+      - name: Validate prerelease tag is on main
+        if: startsWith(github.ref, 'refs/tags/')
+        run: |
+          git fetch origin main:refs/remotes/origin/main --prune
+          if ! git merge-base --is-ancestor "$GITHUB_SHA" refs/remotes/origin/main; then
+            echo "Prerelease tags must point to a commit reachable from origin/main."
+            exit 1
+          fi
+
+      - name: Install build tools
+        run: |
+          sh scripts/ci_install_uv.sh
+          sh scripts/ci_install_cibuildwheel.sh
+
+      - name: Build wheels via cibuildwheel
+        env:
+          CIBW_BUILD: ${{ matrix.python_abi }}-manylinux_*
+          CIBW_ARCHS_LINUX: x86_64
+          CIBW_MANYLINUX_X86_64_IMAGE: manylinux_2_28
+          CIBW_ENVIRONMENT: >
+            PIP_INDEX_URL=https://mirrors.zju.edu.cn/pypi/web/simple
+            PIP_DEFAULT_TIMEOUT=120
+          CIBW_ENVIRONMENT_LINUX: >
+            PIP_INDEX_URL=https://mirrors.zju.edu.cn/pypi/web/simple
+            PIP_DEFAULT_TIMEOUT=120
+            PIP_CONSTRAINT=/project/ci/rdkit-constraints.txt
+          CIBW_BUILD_VERBOSITY: "1"
+          CIBW_REPAIR_WHEEL_COMMAND_LINUX: >
+            sh -c 'libdir=$(python -c "import openbabel, os; print(os.path.join(os.path.dirname(openbabel.__file__), \"lib\"))");
+            case "{wheel}" in *cp38*|*cp39*) soname=libopenbabel.so.7 ;; *) soname=libopenbabel.so.8 ;; esac;
+            LD_LIBRARY_PATH="$libdir:${LD_LIBRARY_PATH:-}" auditwheel repair --exclude "$soname" -w {dest_dir} {wheel}'
+          CIBW_TEST_COMMAND: python -c "import molgr; import molgr._core; from molgr.interface import xyz_to_rdmol"
+        run: |
+          "$CIBUILDWHEEL" --platform linux
+
+      - name: Publish wheels to Gitea Registry
+        env:
+          UV_PUBLISH_USERNAME: ${{ secrets.OWNER }}
+          UV_PUBLISH_PASSWORD: ${{ secrets.PASSWORD }}
+        run: |
+          if [ -z "${SERVER_URL}" ]; then
+            echo "SERVER_URL is empty. Set repository variable SERVER_URL, for example: https://gitea.example.com:13000."
+            exit 1
+          fi
+          PUBLISH_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi"
+          CHECK_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi/simple"
+          "$UV_BIN" publish --publish-url "$PUBLISH_URL" --check-url "$CHECK_URL" wheelhouse/*.whl
+
+      - name: Cleanup cibuildwheel environment
+        if: always()
+        run: sh scripts/ci_cleanup_cibuildwheel.sh
+
+  build-internal-release-linux-aarch64-manylinux-2-28-wheels:
+    name: Build internal Linux aarch64 manylinux_2_28 wheel (${{ matrix.python_abi }})
+    needs: [lint, build-test-linux-matrix]
+    runs-on: ubuntu-24.04-arm64
+    if: github.event_name == 'push' && (github.ref == 'refs/heads/develop' || (startsWith(github.ref, 'refs/tags/v') && (contains(github.ref_name, 'rc') || contains(github.ref_name, '.dev'))))
+    strategy:
+      fail-fast: false
+      matrix:
+        python_abi: ["cp313", "cp314"]
+
+    steps:
+      - name: Checkout code
+        uses: http://nas.asymcatml.net:13000/actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Disable proxy for package installs
+        run: sh scripts/ci_disable_proxy.sh
+
+      - name: Validate prerelease tag is on main
+        if: startsWith(github.ref, 'refs/tags/')
+        run: |
+          git fetch origin main:refs/remotes/origin/main --prune
+          if ! git merge-base --is-ancestor "$GITHUB_SHA" refs/remotes/origin/main; then
+            echo "Prerelease tags must point to a commit reachable from origin/main."
+            exit 1
+          fi
+
+      - name: Install build tools
+        run: |
+          sh scripts/ci_install_uv.sh
+          CIBUILDWHEEL_INDEX_URL=https://pypi.org/simple sh scripts/ci_install_cibuildwheel.sh
+
+      - name: Build wheels via cibuildwheel
+        env:
+          CIBW_BUILD: ${{ matrix.python_abi }}-manylinux_*
+          CIBW_ARCHS_LINUX: aarch64
+          CIBW_MANYLINUX_AARCH64_IMAGE: manylinux_2_28
+          CIBW_ENVIRONMENT: >
+            PIP_INDEX_URL=https://pypi.org/simple
+            PIP_DEFAULT_TIMEOUT=120
+          CIBW_ENVIRONMENT_LINUX: >
+            PIP_INDEX_URL=https://pypi.org/simple
+            PIP_DEFAULT_TIMEOUT=120
+            PIP_CONSTRAINT=/project/ci/rdkit-constraints.txt
+          CIBW_BUILD_VERBOSITY: "1"
+          CIBW_REPAIR_WHEEL_COMMAND_LINUX: >
+            sh -c 'libdir=$(python -c "import openbabel, os; print(os.path.join(os.path.dirname(openbabel.__file__), \"lib\"))");
+            case "{wheel}" in *cp38*|*cp39*) soname=libopenbabel.so.7 ;; *) soname=libopenbabel.so.8 ;; esac;
+            LD_LIBRARY_PATH="$libdir:${LD_LIBRARY_PATH:-}" auditwheel repair --exclude "$soname" -w {dest_dir} {wheel}'
+          CIBW_TEST_COMMAND: python -c "import molgr; import molgr._core; from molgr.interface import xyz_to_rdmol"
+        run: |
+          "$CIBUILDWHEEL" --platform linux
+
+      - name: Publish wheels to Gitea Registry
+        env:
+          UV_PUBLISH_USERNAME: ${{ secrets.OWNER }}
+          UV_PUBLISH_PASSWORD: ${{ secrets.PASSWORD }}
+        run: |
+          if [ -z "${SERVER_URL}" ]; then
+            echo "SERVER_URL is empty. Set repository variable SERVER_URL, for example: https://gitea.example.com:13000."
+            exit 1
+          fi
+          PUBLISH_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi"
+          CHECK_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi/simple"
+          "$UV_BIN" publish --publish-url "$PUBLISH_URL" --check-url "$CHECK_URL" wheelhouse/*.whl
+
+      - name: Cleanup cibuildwheel environment
+        if: always()
+        run: sh scripts/ci_cleanup_cibuildwheel.sh
+
+  build-internal-release-macos-arm64-wheels:
+    name: Build internal macOS arm64 wheel (${{ matrix.python_abi }})
+    needs: [lint, build-test-linux-matrix]
+    runs-on: macos-arm64
+    if: github.event_name == 'push' && (github.ref == 'refs/heads/develop' || (startsWith(github.ref, 'refs/tags/v') && (contains(github.ref_name, 'rc') || contains(github.ref_name, '.dev'))))
+    strategy:
+      fail-fast: false
+      matrix:
+        python_abi: ["cp38", "cp39", "cp310", "cp311", "cp312", "cp313", "cp314"]
+
+    steps:
+      - name: Checkout code
+        uses: http://nas.asymcatml.net:13000/actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Disable proxy for package installs
+        run: sh scripts/ci_disable_proxy.sh
+
+      - name: Validate prerelease tag is on main
+        if: startsWith(github.ref, 'refs/tags/')
+        run: |
+          git fetch origin main:refs/remotes/origin/main --prune
+          if ! git merge-base --is-ancestor "$GITHUB_SHA" refs/remotes/origin/main; then
+            echo "Prerelease tags must point to a commit reachable from origin/main."
+            exit 1
+          fi
+
+      - name: Install build tools
+        run: |
+          sh scripts/ci_install_uv.sh
+          sh scripts/ci_install_cibuildwheel.sh
+
+      - name: Build wheels via cibuildwheel
+        env:
+          CIBW_BUILD: ${{ matrix.python_abi }}-macosx_arm64
+          CIBW_ARCHS_MACOS: arm64
+          CIBW_ENVIRONMENT: >
+            PIP_INDEX_URL=https://mirrors.zju.edu.cn/pypi/web/simple
+            PIP_DEFAULT_TIMEOUT=120
+            MACOSX_DEPLOYMENT_TARGET=14.0
+          CIBW_BUILD_VERBOSITY: "1"
+          CIBW_BEFORE_BUILD_MACOS: >
+            python -m pip install -i "$PIP_INDEX_URL"
+            "$(python -c 'import sys; print("openbabel-wheel>=3.1.1.22" if sys.version_info < (3, 10) else "openbabel>=3.2.0")')"
+          CIBW_REPAIR_WHEEL_COMMAND_MACOS: >
+            DYLD_LIBRARY_PATH="$(python -c "import openbabel, os; print(os.path.join(os.path.dirname(openbabel.__file__), 'lib'))")"
+            delocate-wheel
+            --exclude libopenbabel.
+            --require-archs {delocate_archs}
+            -w {dest_dir} -v {wheel}
+          CIBW_TEST_COMMAND: python -c "import molgr; import molgr._core; from molgr.interface import xyz_to_rdmol"
+        run: |
+          "$CIBUILDWHEEL" --platform macos
+
+      - name: Publish wheels to Gitea Registry
+        env:
+          UV_PUBLISH_USERNAME: ${{ secrets.OWNER }}
+          UV_PUBLISH_PASSWORD: ${{ secrets.PASSWORD }}
+        run: |
+          if [ -z "${SERVER_URL}" ]; then
+            echo "SERVER_URL is empty. Set repository variable SERVER_URL, for example: https://gitea.example.com:13000."
+            exit 1
+          fi
+          PUBLISH_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi"
+          CHECK_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi/simple"
+          "$UV_BIN" publish --publish-url "$PUBLISH_URL" --check-url "$CHECK_URL" wheelhouse/*.whl
+
+      - name: Cleanup cibuildwheel environment
+        if: always()
+        run: sh scripts/ci_cleanup_cibuildwheel.sh
+
+  publish-internal-sdist:
+    name: Publish internal sdist
+    needs:
+      - build-internal-release-linux-x86_64-manylinux2014-wheels
+      - build-internal-release-linux-aarch64-manylinux2014-wheels
+      - build-internal-release-linux-x86_64-manylinux-2-28-wheels
+      - build-internal-release-linux-aarch64-manylinux-2-28-wheels
+      - build-internal-release-macos-arm64-wheels
+    runs-on: ubuntu-latest
+    if: github.event_name == 'push' && (github.ref == 'refs/heads/develop' || (startsWith(github.ref, 'refs/tags/v') && (contains(github.ref_name, 'rc') || contains(github.ref_name, '.dev'))))
+
+    steps:
+      - name: Checkout code
+        uses: http://nas.asymcatml.net:13000/actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Disable proxy for package installs
+        run: sh scripts/ci_disable_proxy.sh
+
+      - name: Validate prerelease tag is on main
+        if: startsWith(github.ref, 'refs/tags/')
+        run: |
+          git fetch origin main:refs/remotes/origin/main --prune
+          if ! git merge-base --is-ancestor "$GITHUB_SHA" refs/remotes/origin/main; then
+            echo "Prerelease tags must point to a commit reachable from origin/main."
+            exit 1
+          fi
+
+      - name: Install uv
+        run: sh scripts/ci_install_uv.sh
+
+      - name: Set up Python 3.11
+        run: |
+          "$UV_BIN" python install 3.11
+
+      - name: Build sdist
+        run: |
+          "$UV_BIN" build -p 3.11 --sdist --out-dir dist
+
+      - name: Publish sdist to Gitea Registry
+        env:
+          UV_PUBLISH_USERNAME: ${{ secrets.OWNER }}
+          UV_PUBLISH_PASSWORD: ${{ secrets.PASSWORD }}
+        run: |
+          if [ -z "${SERVER_URL}" ]; then
+            echo "SERVER_URL is empty. Set repository variable SERVER_URL, for example: https://gitea.example.com:13000."
+            exit 1
+          fi
+          PUBLISH_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi"
+          CHECK_URL="${SERVER_URL%/}/api/packages/${{ github.repository_owner }}/pypi/simple"
+          "$UV_BIN" publish --publish-url "$PUBLISH_URL" --check-url "$CHECK_URL" dist/*.tar.gz