phonopy: Add version 4.4.0

.github/workflows/build-phonopy.yml

@@ -0,0 +1,126 @@
+# SPDX-FileCopyrightText: 2026 The RISE Project
+# SPDX-License-Identifier: MIT
+---
+# This workflow is based on the `build_wheels` job of
+# https://github.com/phonopy/phonopy/blob/v4.4.0/.github/workflows/release.yml
+# and the test steps of
+# https://github.com/phonopy/phonopy/blob/v4.4.0/.github/workflows/phonopy-pytest-conda.yml
+name: Build phonopy wheels (riscv64)
+
+on:
+  workflow_dispatch:
+    inputs:
+      version:
+        description: 'Version glob to (re)build; empty builds every version of docs/packages/phonopy.yaml not released yet'
+        required: false
+        default: ''
+  pull_request:
+    branches: [main]
+    paths:
+      - '.github/workflows/build-phonopy.yml'
+      - 'docs/packages/phonopy.yaml'
+  push:
+    branches: [main]
+    paths:
+      - '.github/workflows/build-phonopy.yml'
+      - 'docs/packages/phonopy.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: phonopy
+      version: ${{ inputs.version }}
+
+  build_wheels:
+    needs: [setup]
+    if: needs.setup.outputs.versions != '[]'
+    name: Build phonopy ${{ 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:
+      PHONOPY_VERSION: ${{ matrix.version }}
+
+    steps:
+      - name: Checkout phonopy v${{ env.PHONOPY_VERSION }}
+        uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1  # v7.0.1
+        with:
+          repository: phonopy/phonopy
+          ref: v${{ env.PHONOPY_VERSION }}
+          fetch-depth: 0
+          persist-credentials: false
+
+      - name: Build wheels
+        uses: pypa/cibuildwheel@1828c10ab37f080699c7b81cea34097c684a7074  # v4.2.0
+        with:
+          output-dir: wheelhouse/
+          only: ${{ matrix.python }}-manylinux_riscv64
+        env:
+          CIBW_MANYLINUX_RISCV64_IMAGE: ${{ env.MANYLINUX_RISCV64_IMAGE }}
+          # phonors (a runtime dependency) has no riscv64 wheel; its sdist needs cargo,
+          # as upstream's test job also builds it from source.
+          CIBW_BEFORE_ALL_LINUX: >-
+            curl --proto '=https' --tlsv1.2 -sSf https://sh.rustup.rs | sh -s -- -y --profile minimal
+          CIBW_ENVIRONMENT_LINUX: >-
+            PATH=$HOME/.cargo/bin:$PATH
+            PIP_EXTRA_INDEX_URL=https://pypi.riseproject.dev/simple/
+            PIP_ONLY_BINARY=numpy,scipy,h5py,matplotlib,contourpy,kiwisolver,pillow,spglib,pyyaml
+          # phonopy 4.4.0 declares an unbounded `phonors>=0.3.0` but calls
+          # `phonors.grid_index_from_address`, which phonors 0.5.0 replaced with
+          # `grid_indices_from_addresses` (phonopy 4.7.0 moved to the new API and
+          # raised its floor to `phonors>=0.5.0`). Install the last compatible phonors
+          # before the wheel so its unbounded requirement is already satisfied.
+          CIBW_BEFORE_TEST: pip install "phonors>=0.3.0,<0.5"
+          CIBW_TEST_REQUIRES: pytest ase
+          CIBW_TEST_SOURCES: test
+          CIBW_TEST_COMMAND: python -m pytest test
+
+      - name: Check wheel contents
+        run: |
+          python3 - wheelhouse/*.whl <<'EOF'
+          import sys, zipfile
+          for path in sys.argv[1:]:
+              names = zipfile.ZipFile(path).namelist()
+              for ext in ("phonopy/_phonopy", "phonopy/_recgrid"):
+                  assert any(n.startswith(ext) and n.endswith(".so") for n in names), (path, ext)
+              print(path, "ok")
+          EOF
+
+      - uses: actions/upload-artifact@043fb46d1a93c77aae656e7c1c64a875d1fc6a0a  # v7.0.1
+        with:
+          name: phonopy-${{ env.PHONOPY_VERSION }}-${{ matrix.python }}-manylinux_riscv64
+          path: wheelhouse/*.whl
+          if-no-files-found: error
+
+  publish:
+    name: Publish phonopy ${{ 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: ${{ secrets.RISEPROJECT_APP_PRIVATE_KEY }}
+    with:
+      artifact-pattern: phonopy-${{ matrix.version }}-*-manylinux_riscv64

docs/packages/phonopy.yaml

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+package-name: phonopy
+source-code: https://github.com/phonopy/phonopy
+license: BSD-3-Clause
+versions:
+- version: 4.4.0