Refactor property fitting interface #10597
Workflow file for this run
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name: Build and upload to PyPI | |
on: | |
push: | |
branches-ignore: | |
- "gh-readonly-queue/**" | |
tags: | |
- "v*" | |
pull_request: | |
merge_group: | |
concurrency: | |
group: ${{ github.workflow }}-${{ github.ref || github.run_id }} | |
cancel-in-progress: true | |
jobs: | |
determine-arm64-runner: | |
runs-on: ubuntu-latest | |
permissions: read-all | |
outputs: | |
runner: ${{ steps.set-runner.outputs.runner }} | |
steps: | |
- name: Determine which runner to use for ARM64 build | |
id: set-runner | |
run: | | |
if [ "${{ github.repository_owner }}" == "deepmodeling" ]; then | |
echo "runner=[\"Linux\",\"ARM64\"]" >> $GITHUB_OUTPUT | |
else | |
echo "runner=\"ubuntu-latest\"" >> $GITHUB_OUTPUT | |
fi | |
build_wheels: | |
name: Build wheels for cp${{ matrix.python }}-${{ matrix.platform_id }} | |
needs: determine-arm64-runner | |
runs-on: ${{ matrix.os }} | |
strategy: | |
fail-fast: false | |
matrix: | |
include: | |
# linux-64 | |
- os: ubuntu-latest | |
python: 311 | |
platform_id: manylinux_x86_64 | |
dp_variant: cuda | |
cuda_version: 12.2 | |
- os: ubuntu-latest | |
python: 311 | |
platform_id: manylinux_x86_64 | |
dp_variant: cuda | |
cuda_version: 11.8 | |
dp_pkg_name: deepmd-kit-cu11 | |
# macos-x86-64 | |
- os: macos-13 | |
python: 311 | |
platform_id: macosx_x86_64 | |
dp_variant: cpu | |
# macos-arm64 | |
- os: macos-14 | |
python: 311 | |
platform_id: macosx_arm64 | |
dp_variant: cpu | |
# win-64 | |
- os: windows-2019 | |
python: 311 | |
platform_id: win_amd64 | |
dp_variant: cpu | |
# linux-aarch64 | |
- os: ${{ fromJson(needs.determine-arm64-runner.outputs.runner) }} | |
python: 310 | |
platform_id: manylinux_aarch64 | |
dp_variant: cpu | |
steps: | |
- uses: actions/checkout@v4 | |
with: | |
# https://github.com/pypa/setuptools_scm/issues/480 | |
fetch-depth: 0 | |
- name: Install uv | |
run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.2.24/uv-installer.sh | sh | |
if: runner.os != 'Linux' | |
- uses: docker/setup-qemu-action@v3 | |
name: Setup QEMU | |
if: matrix.platform_id == 'manylinux_aarch64' && matrix.os == 'ubuntu-latest' | |
# detect version in advance. See #3168 | |
- run: | | |
echo "SETUPTOOLS_SCM_PRETEND_VERSION=$(pipx run uv tool run --from setuptools_scm python -m setuptools_scm)" >> $GITHUB_ENV | |
rm -rf .git | |
if: matrix.dp_pkg_name == 'deepmd-kit-cu11' | |
- name: Build wheels | |
uses: pypa/[email protected] | |
env: | |
CIBW_BUILD_VERBOSITY: 1 | |
CIBW_ARCHS: all | |
CIBW_BUILD: cp${{ matrix.python }}-${{ matrix.platform_id }} | |
DP_VARIANT: ${{ matrix.dp_variant }} | |
CUDA_VERSION: ${{ matrix.cuda_version }} | |
DP_PKG_NAME: ${{ matrix.dp_pkg_name }} | |
CIBW_BUILD_FRONTEND: 'build[uv]' | |
- uses: actions/upload-artifact@v4 | |
with: | |
name: cibw-cp${{ matrix.python }}-${{ matrix.platform_id }}-cu${{ matrix.cuda_version }}-${{ strategy.job-index }} | |
path: ./wheelhouse/*.whl | |
build_sdist: | |
name: Build source distribution | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v4 | |
with: | |
fetch-depth: 0 | |
- name: Build sdist | |
run: pipx run uv tool run --with build[uv] --from build python -m build --installer uv --sdist | |
- uses: actions/upload-artifact@v4 | |
with: | |
name: cibw-sdist | |
path: dist/*.tar.gz | |
upload_pypi: | |
needs: [build_wheels, build_sdist] | |
runs-on: ubuntu-latest | |
permissions: | |
# IMPORTANT: this permission is mandatory for trusted publishing | |
id-token: write | |
if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/v') | |
steps: | |
- uses: actions/download-artifact@v4 | |
with: | |
pattern: cibw-* | |
path: dist | |
merge-multiple: true | |
- uses: pypa/gh-action-pypi-publish@release/v1 | |
build_docker: | |
# use the already built wheels to build docker | |
needs: [build_wheels] | |
runs-on: ubuntu-latest | |
strategy: | |
fail-fast: false | |
matrix: | |
include: | |
- variant: "" | |
cuda_version: "12" | |
- variant: "_cu11" | |
cuda_version: "11" | |
steps: | |
- name: Delete huge unnecessary tools folder | |
run: rm -rf /opt/hostedtoolcache | |
- uses: actions/checkout@v4 | |
- uses: actions/download-artifact@v4 | |
with: | |
path: source/install/docker/dist | |
pattern: cibw-*-manylinux_x86_64-cu${{ matrix.cuda_version }}* | |
merge-multiple: true | |
- name: Log in to the Container registry | |
uses: docker/login-action@v3 | |
with: | |
registry: ghcr.io | |
username: ${{ github.actor }} | |
password: ${{ secrets.GITHUB_TOKEN }} | |
- name: Extract metadata (tags, labels) for Docker | |
id: meta | |
uses: docker/metadata-action@v5 | |
with: | |
images: ghcr.io/deepmodeling/deepmd-kit | |
- name: Build and push Docker image | |
uses: docker/build-push-action@v6 | |
with: | |
context: source/install/docker | |
push: ${{ github.repository_owner == 'deepmodeling' && github.event_name == 'push' && github.actor != 'dependabot[bot]' }} | |
tags: ${{ steps.meta.outputs.tags }}${{ matrix.variant }} | |
labels: ${{ steps.meta.outputs.labels }} | |
build-args: | | |
VARIANT=${{ matrix.variant }} | |
CUDA_VERSION=${{ matrix.cuda_version }} | |
build_pypi_index: | |
needs: [build_wheels, build_sdist] | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/download-artifact@v4 | |
with: | |
path: dist/packages | |
pattern: cibw-* | |
merge-multiple: true | |
- uses: actions/setup-python@v5 | |
name: Install Python | |
with: | |
python-version: '3.11' | |
- run: pip install dumb-pypi | |
- run: | | |
ls dist/packages > package_list.txt | |
dumb-pypi --output-dir dist --packages-url ../../packages --package-list package_list.txt --title "DeePMD-kit Developed Packages" | |
- name: Upload Pages artifact | |
uses: actions/upload-pages-artifact@v3 | |
with: | |
path: dist | |
deploy_pypi_index: | |
needs: build_pypi_index | |
permissions: | |
pages: write | |
id-token: write | |
environment: | |
name: github-pages | |
url: ${{ steps.deployment.outputs.page_url }} | |
runs-on: ubuntu-latest | |
if: github.event_name == 'push' && github.ref == 'refs/heads/devel' && github.repository_owner == 'deepmodeling' | |
steps: | |
- name: Deploy to GitHub Pages | |
id: deployment | |
uses: actions/deploy-pages@v4 | |
pass: | |
name: Pass testing build wheels | |
needs: [build_wheels, build_sdist, build_docker, build_pypi_index] | |
runs-on: ubuntu-latest | |
if: always() | |
steps: | |
- name: Decide whether the needed jobs succeeded or failed | |
uses: re-actors/alls-green@release/v1 | |
with: | |
jobs: ${{ toJSON(needs) }} |