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Make sure shm.dll can find mkl.dll in torch 2.3+ #1383

Make sure shm.dll can find mkl.dll in torch 2.3+

Make sure shm.dll can find mkl.dll in torch 2.3+ #1383

Workflow file for this run

name: Build Python wheels
on:
push:
branches: [main]
tags: ["*"]
pull_request:
paths:
# build wheels in PR if this file changed
- '.github/workflows/build-wheels.yml'
# build wheels in PR if any of the build system files changed
- '**/VERSION'
- '**/setup.py'
- '**/pyproject.toml'
- '**/MANIFEST.in'
- '**/Cargo.toml'
- '**/CMakeLists.txt'
- '**/build.rs'
concurrency:
group: wheels-${{ github.ref }}
cancel-in-progress: ${{ github.ref != 'refs/heads/main' }}
env:
FEATOMIC_NO_LOCAL_DEPS: "1"
jobs:
build-wheels:
runs-on: ${{ matrix.os }}
name: ${{ matrix.name }}
strategy:
matrix:
include:
- name: x86_64 Linux
os: ubuntu-22.04
rust-target: x86_64-unknown-linux-gnu
cibw-arch: x86_64
- name: arm64 Linux
os: ubuntu-22.04
rust-target: aarch64-unknown-linux-gnu
cibw-arch: aarch64
- name: x86_64 macOS
os: macos-13
rust-target: x86_64-apple-darwin
cibw-arch: x86_64
- name: M1 macOS
os: macos-14
rust-target: aarch64-apple-darwin
cibw-arch: arm64
- name: x86_64 Windows
os: windows-2019
rust-target: x86_64-pc-windows-msvc
cibw-arch: AMD64
steps:
- uses: actions/checkout@v4
with:
fetch-depth: 0
- name: setup rust
uses: dtolnay/rust-toolchain@master
with:
toolchain: stable
target: ${{ matrix.rust-target }}
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: "3.12"
- name: install dependencies
run: python -m pip install cibuildwheel twine
- name: Set up QEMU for docker
if: matrix.os == 'ubuntu-22.04'
uses: docker/setup-qemu-action@v3
- name: build manylinux with rust docker image
if: matrix.os == 'ubuntu-22.04'
run: docker build -t rustc-manylinux2014_${{ matrix.cibw-arch }} python/scripts/rustc-manylinux2014_${{ matrix.cibw-arch }}
- name: build featomic wheel
run: python -m cibuildwheel python/featomic
env:
CIBW_BUILD: cp312-*
CIBW_SKIP: "*musllinux*"
CIBW_ARCHS: ${{ matrix.cibw-arch }}
CIBW_BUILD_VERBOSITY: 1
CIBW_MANYLINUX_X86_64_IMAGE: rustc-manylinux2014_x86_64
CIBW_MANYLINUX_AARCH64_IMAGE: rustc-manylinux2014_aarch64
CIBW_REPAIR_WHEEL_COMMAND_MACOS: "delocate-wheel --ignore-missing-dependencies --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
CIBW_REPAIR_WHEEL_COMMAND_LINUX: "auditwheel repair --exclude libmetatensor.so -w {dest_dir} {wheel}"
CIBW_ENVIRONMENT: >
MACOSX_DEPLOYMENT_TARGET=11
FEATOMIC_NO_LOCAL_DEPS=1
- uses: actions/upload-artifact@v4
with:
name: wheel-${{ matrix.os }}-${{ matrix.cibw-arch }}
path: ./wheelhouse/*.whl
build-torch-wheels:
runs-on: ${{ matrix.os }}
name: ${{ matrix.name }} (torch v${{ matrix.torch-version }})
strategy:
matrix:
torch-version: ['2.1', '2.2', '2.3', '2.4', '2.5']
arch: ['arm64', 'x86_64']
os: ['ubuntu-22.04', 'macos-13', 'macos-14', 'windows-2019']
exclude:
# remove mismatched arch for macOS
- {os: macos-14, arch: x86_64}
- {os: macos-13, arch: arm64}
# no arm64-windows build
- {os: windows-2019, arch: arm64}
# arch x86_64 on macos is only supported for torch <2.3
- {os: macos-13, arch: x86_64, torch-version: '2.3'}
- {os: macos-13, arch: x86_64, torch-version: '2.4'}
- {os: macos-13, arch: x86_64, torch-version: '2.5'}
include:
# add `cibw-arch` and `rust-target` to the different configurations
- name: x86_64 Linux
os: ubuntu-22.04
arch: x86_64
rust-target: x86_64-unknown-linux-gnu
cibw-arch: x86_64
- name: arm64 Linux
os: ubuntu-22.04
arch: arm64
rust-target: aarch64-unknown-linux-gnu
cibw-arch: aarch64
- name: x86_64 macOS
os: macos-13
arch: x86_64
rust-target: x86_64-apple-darwin
cibw-arch: x86_64
- name: arm64 macOS
os: macos-14
arch: arm64
rust-target: aarch64-apple-darwin
cibw-arch: arm64
- name: x86_64 Windows
os: windows-2019
arch: x86_64
rust-target: x86_64-pc-windows-msvc
cibw-arch: AMD64
# add the right python version for each torch version
- {torch-version: '2.1', python-version: '3.11', cibw-python: 'cp311-*'}
- {torch-version: '2.2', python-version: '3.12', cibw-python: 'cp312-*'}
- {torch-version: '2.3', python-version: '3.12', cibw-python: 'cp312-*'}
- {torch-version: '2.4', python-version: '3.12', cibw-python: 'cp312-*'}
- {torch-version: '2.5', python-version: '3.12', cibw-python: 'cp312-*'}
steps:
- uses: actions/checkout@v4
with:
fetch-depth: 0
- name: setup rust
uses: dtolnay/rust-toolchain@master
with:
toolchain: stable
target: ${{ matrix.rust-target }}
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: install dependencies
run: python -m pip install cibuildwheel
- name: Set up QEMU for docker
if: matrix.os == 'ubuntu-22.04'
uses: docker/setup-qemu-action@v3
- name: build manylinux with rust docker image
if: matrix.os == 'ubuntu-22.04'
run: docker buildx build -t rustc-manylinux2014_${{ matrix.cibw-arch }} python/scripts/rustc-manylinux2014_${{ matrix.cibw-arch }}
- name: build featomic-torch wheel
run: python -m cibuildwheel python/featomic_torch
env:
CIBW_BUILD: ${{ matrix.cibw-python}}
CIBW_SKIP: "*musllinux*"
CIBW_ARCHS: ${{ matrix.cibw-arch }}
CIBW_BUILD_VERBOSITY: 1
CIBW_MANYLINUX_X86_64_IMAGE: rustc-manylinux2014_x86_64
CIBW_MANYLINUX_AARCH64_IMAGE: rustc-manylinux2014_aarch64
# FEATOMIC_NO_LOCAL_DEPS is set to 1 when building a tag of
# featomic-torch, which will force to use the version of featomic
# already released on PyPI. Otherwise, this will use the version of
# featomic from git checkout (in case there are unreleased breaking
# changes). This means we can not release breaking changes in featomic
# and v-torch by putting a tag on the same commit. Instead featomic
# must be fully released before we start the build of featomic-torch
# wheels.
CIBW_ENVIRONMENT: >
FEATOMIC_NO_LOCAL_DEPS=${{ startsWith(github.ref, 'refs/tags/featomic-torch-v') && '1' || '0' }}
FEATOMIC_TORCH_BUILD_WITH_TORCH_VERSION=${{ matrix.torch-version }}.*
PIP_EXTRA_INDEX_URL=https://download.pytorch.org/whl/cpu
MACOSX_DEPLOYMENT_TARGET=11
# do not complain for missing libtorch.so, libfeatomic.so, & co
CIBW_REPAIR_WHEEL_COMMAND_MACOS: |
delocate-wheel --ignore-missing-dependencies \
--require-archs {delocate_archs} \
-w {dest_dir} -v {wheel}
CIBW_REPAIR_WHEEL_COMMAND_LINUX: |
auditwheel repair --exclude libfeatomic.so \
--exclude libmetatensor.so \
--exclude libmetatensor_torch.so \
--exclude libtorch.so \
--exclude libtorch_cpu.so \
--exclude libc10.so \
-w {dest_dir} {wheel}
- uses: actions/upload-artifact@v4
with:
name: torch-single-version-wheel-${{ matrix.torch-version }}-${{ matrix.os }}-${{ matrix.arch }}
path: ./wheelhouse/*.whl
merge-torch-wheels:
needs: build-torch-wheels
runs-on: ubuntu-22.04
name: merge featomic-torch ${{ matrix.name }}
strategy:
matrix:
include:
- name: x86_64 Linux
os: ubuntu-22.04
arch: x86_64
- name: arm64 Linux
os: ubuntu-22.04
arch: arm64
- name: x86_64 macOS
os: macos-13
arch: x86_64
- name: arm64 macOS
os: macos-14
arch: arm64
- name: x86_64 Windows
os: windows-2019
arch: x86_64
steps:
- uses: actions/checkout@v4
- name: Download wheels
uses: actions/download-artifact@v4
with:
pattern: torch-single-version-wheel-*-${{ matrix.os }}-${{ matrix.arch }}
merge-multiple: false
path: dist
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: "3.12"
- name: install dependencies
run: python -m pip install twine wheel
- name: merge wheels
run: |
# collect all torch versions used for the build
REQUIRES_TORCH=$(find dist -name "*.whl" -exec unzip -p {} "featomic_torch-*.dist-info/METADATA" \; | grep "Requires-Dist: torch")
MERGED_TORCH_REQUIRE=$(python scripts/create-torch-versions-range.py "$REQUIRES_TORCH")
echo MERGED_TORCH_REQUIRE=$MERGED_TORCH_REQUIRE
# unpack all single torch versions wheels in the same directory
mkdir dist/unpacked
find dist -name "*.whl" -print -exec python -m wheel unpack --dest dist/unpacked/ {} ';'
sed -i "s/Requires-Dist: torch.*/$MERGED_TORCH_REQUIRE/" dist/unpacked/featomic_torch-*/featomic_torch-*.dist-info/METADATA
echo "\n\n METADATA = \n\n"
cat dist/unpacked/featomic_torch-*/featomic_torch-*.dist-info/METADATA
# check the right metadata was added to the file. grep will exit with
# code `1` if the line is not found, which will stop CI
grep "$MERGED_TORCH_REQUIRE" dist/unpacked/featomic_torch-*/featomic_torch-*.dist-info/METADATA
# repack the directory as a new wheel
mkdir wheelhouse
python -m wheel pack --dest wheelhouse/ dist/unpacked/*
- name: check wheels with twine
run: twine check wheelhouse/*
- uses: actions/upload-artifact@v4
with:
name: torch-wheel-${{ matrix.os }}-${{ matrix.arch }}
path: ./wheelhouse/*.whl
build-sdist:
runs-on: ubuntu-22.04
name: sdist
steps:
- uses: actions/checkout@v4
with:
fetch-depth: 0
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: "3.12"
- name: build featomic sdist
run: |
pip install build
python -m build --sdist python/featomic
- name: build featomic-torch sdist
run: |
python -m build --sdist python/featomic_torch
- name: create C++ tarballs
run: |
./scripts/package-featomic.sh dist/cxx/
./scripts/package-featomic-torch.sh dist/cxx/
- uses: actions/upload-artifact@v4
with:
name: sdist
path: |
dist/*.tar.gz
dist/cxx/*.tar.gz
- name: upload sdist to GitHub release
if: startsWith(github.ref, 'refs/tags/')
uses: softprops/action-gh-release@v1
with:
files: |
dist/*.tar.gz
dist/cxx/*.tar.gz
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
merge-and-release:
name: Merge and release wheels/sdists
needs: [build-wheels, merge-torch-wheels, build-sdist]
runs-on: ubuntu-22.04
permissions:
contents: write
steps:
- name: Download featomic wheels
uses: actions/download-artifact@v4
with:
path: wheels
pattern: wheel-*
merge-multiple: true
- name: Download featomic-torch wheels
uses: actions/download-artifact@v4
with:
path: wheels
pattern: torch-wheel-*
merge-multiple: true
- name: Download sdists
uses: actions/download-artifact@v4
with:
path: wheels
name: sdist
- name: Re-upload a single wheels artifact
uses: actions/upload-artifact@v4
with:
name: wheels
path: |
wheels/*
wheels/cxx/*
- name: upload to GitHub release (featomic)
if: startsWith(github.ref, 'refs/tags/featomic-v')
uses: softprops/action-gh-release@v2
with:
files: |
wheels/cxx/featomic-cxx-*.tar.gz
wheels/featomic-*
prerelease: ${{ contains(github.ref, '-rc') }}
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
- name: upload to GitHub release (featomic-torch)
if: startsWith(github.ref, 'refs/tags/featomic-torch-v')
uses: softprops/action-gh-release@v2
with:
files: |
wheels/cxx/featomic-torch-cxx-*.tar.gz
wheels/featomic_torch-*
prerelease: ${{ contains(github.ref, '-rc') }}
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}