v0.0.1alpha0

[LiuGaoyong]

No description provided.

[LiuGaoyong]

name: Build & Test

on:
  pull_request:

jobs:
  build_wheels:
    name: Build wheels for cp${{ matrix.python }}-${{ matrix.platform_id }}
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        include:
          # - os: ubuntu-latest
          #   python: 312
          #   platform_id: manylinux_x86_64
          # - os: macos-latest
          #   python: 312
          #   platform_id: macosx_arm64
          #   macos_target: 14
          - os: windows-latest
            python: 312
            platform_id: win_amd64

    steps:
      - name: Provide gfortran (MacOS)
        uses: fortran-lang/setup-fortran@v1
        if: runner.os == 'MacOS'
        with:
          compiler: gcc
      - name: Provide gfortran (Windows)
        uses: msys2/setup-msys2@v2
        if: runner.os == 'Windows'
        id: msys2
        with:
          update: true
          cache: true
          path-type: inherit
          install: >-
            mingw-w64-x86_64-openblas
            mingw-w64-x86_64-gcc-fortran
      - name: Show PATH (Windows)
        if: runner.os == 'Windows'
        run: dir "D:/a/_temp/msys64/mingw64/bin"
      - uses: actions/checkout@v4
      - uses: astral-sh/setup-uv@v5
      - uses: pypa/cibuildwheel@v3.1.1
        env:
          CIBW_ARCHS: all
          CIBW_BUILD_VERBOSITY: 1
          CIBW_BEFORE_ALL_MACOS: "brew install openblas"
          CIBW_BEFORE_ALL_LINUX: "yum install -y openblas-devel"
          CIBW_BEFORE_ALL_WINDOWS: "set PATH=D:\\a\\_temp\\msys64\\mingw64\\bin;%PATH%"
          CIBW_BUILD: cp${{ matrix.python }}-${{ matrix.platform_id }}
          MACOSX_DEPLOYMENT_TARGET: ${{ matrix.macos_target }}.0
      - run: ls -l wheelhouse/*

  build_wheels_for_windows:
    name: Build wheels for cp${{ matrix.python }}-${{ matrix.platform_id }}
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        include:
          - os: windows-latest
            python: 312
            platform_id: win_amd64

    steps:
      - name: Provide gfortran (Windows)
        # https://github.com/actions/runner-images/discussions/7998
        uses: msys2/setup-msys2@v2
        if: runner.os == 'Windows'
        id: msys2
        with:
          update: true
          cache: true
          path-type: inherit
          install: >-
            mingw-w64-x86_64-openblas
            mingw-w64-x86_64-gcc-fortran
      - uses: actions/checkout@v4
      - uses: astral-sh/setup-uv@v5
      - run: |
          uv build --wheel
          ls -l dist/*
        shell: msys2 {0}

MSYS path varibles can not pass to cibuildwheel ???

[LiuGaoyong]

use pipx run can use msys env in cibuildwheel

pypa/cibuildwheel#1438

[LiuGaoyong]

test not passed on windows:

============================= test session starts =============================
  platform win32 -- Python 3.12.10, pytest-8.4.1, pluggy-1.6.0
  rootdir: D:\a\PyGFNFF\PyGFNFF
  configfile: pyproject.toml
  collected 1 item
  
  ..\..\..\..\..\..\PyGFNFF\PyGFNFF\tests\test_coffeine.py F
  
  ================================== FAILURES ===================================

pygfnff tree:

PyGFNFF   nparray ±  tree .venv/lib/python3.12/site-packages/pygfnff
.venv/lib/python3.12/site-packages/pygfnff
└── _pygfnfflib.cpython-312-darwin.so

1 directory, 1 file