ci(build): use uv for cibuildwheel (deepmodeling#3695)

Should save 1 minute per build on average.

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit

- **New Features**
- Introduced platform-specific constraints for `h5py` when using
TensorFlow, ensuring better compatibility and performance.

- **Chores**
- Updated build configuration to include the `uv` tool for building
wheels.
  - Modified `.gitignore` to exclude the `.uv/` directory.
<!-- end of auto-generated comment: release notes by coderabbit.ai -->

---------

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>

.github/workflows/build_wheel.yml

@@ -74,30 +74,27 @@ jobs:
         with:
           # https://github.com/pypa/setuptools_scm/issues/480
           fetch-depth: 0
+      - name: Install uv
+        run: curl -LsSf https://astral.sh/uv/install.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
-      - uses: actions/setup-python@v5
-        name: Install Python
-        with:
-          python-version: '3.11'
-          cache: 'pip'
-        if: matrix.dp_pkg_name == 'deepmd-kit-cu11'
       - run: |
-          python -m pip install setuptools_scm
-          python -c "from setuptools_scm import get_version;print('SETUPTOOLS_SCM_PRETEND_VERSION='+get_version())" >> $GITHUB_ENV
+          echo "SETUPTOOLS_SCM_PRETEND_VERSION=$(pipx run uv tool run --from setuptools_scm python -m setuptools_scm)" >> $GITHUB_ENV
           rm -rf .git
         if: matrix.dp_pkg_name == 'deepmd-kit-cu11'
       - name: Build wheels
-        uses: pypa/cibuildwheel@v2.18
+        uses: pypa/cibuildwheel@v2.19
         env:
           CIBW_BUILD_VERBOSITY: 1
           CIBW_ARCHS: all
           CIBW_BUILD: cp${{ 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 }}
@@ -109,14 +106,8 @@ jobs:
       - uses: actions/checkout@v4
         with:
           fetch-depth: 0
-      - uses: actions/setup-python@v5
-        name: Install Python
-        with:
-          python-version: '3.11'
-          cache: 'pip'
-      - run: python -m pip install build
       - name: Build sdist
-        run: python -m 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:

.gitignore

@@ -44,3 +44,4 @@ build_cc_tests
 build_c_tests
 build_c/
 libdeepmd_c/
+.uv/

backend/find_tensorflow.py

@@ -156,11 +156,18 @@ def get_tf_requirement(tf_version: str = "") -> dict:
                 "tensorflow; platform_machine=='aarch64' or (platform_machine=='arm64' and platform_system == 'Darwin')",
                 # https://github.com/tensorflow/tensorflow/issues/61830
                 "tensorflow-cpu!=2.15.*; platform_system=='Windows'",
+                # TODO: build(wheel): unpin h5py on aarch64
+                # Revert after https://github.com/h5py/h5py/issues/2408 is fixed;
+                # or set UV_PREFER_BINARY when https://github.com/astral-sh/uv/issues/1794 is resolved.
+                # 3.6.0 is the first version to have aarch64 wheels.
+                "h5py>=3.6.0,<3.11.0; platform_system=='Linux' and platform_machine=='aarch64'",
                 *extra_requires,
             ],
             "gpu": [
                 "tensorflow",
                 "tensorflow-metal; platform_machine=='arm64' and platform_system == 'Darwin'",
+                # See above.
+                "h5py>=3.6.0,<3.11.0; platform_system=='Linux' and platform_machine=='aarch64'",
                 *extra_requires,
             ],
             **extra_select,

pyproject.toml

@@ -43,6 +43,7 @@ dependencies = [
     'typing_extensions; python_version < "3.8"',
     'importlib_metadata>=1.4; python_version < "3.8"',
     'h5py',
+    "h5py>=3.6.0,<3.11.0; platform_system=='Linux' and platform_machine=='aarch64'",
     'wcmatch',
     'packaging',
     'ml_dtypes',
@@ -232,6 +233,12 @@ before-all = [
     """rpm --import https://repo.almalinux.org/almalinux/RPM-GPG-KEY-AlmaLinux""",
     """{ if [ "$(uname -m)" = "x86_64" ] ; then yum config-manager --add-repo http://developer.download.nvidia.com/compute/cuda/repos/rhel8/x86_64/cuda-rhel8.repo && yum install -y cuda-nvcc-${CUDA_VERSION/./-} cuda-cudart-devel-${CUDA_VERSION/./-}; fi }""",
     "yum install -y mpich-devel",
+    # uv is not available in the old manylinux image
+    """{ if [ "$(uname -m)" = "x86_64" ] ; then pipx install uv; fi }""",
+]
+before-build = [
+    # old build doesn't support uv
+    """{ if [ "$(uname -m)" = "x86_64" ] ; then uv pip install --system -U build; fi }""",
 ]
 
 [tool.cibuildwheel.windows]