cchem/.github/workflows/wheels.yml at ab14038856fb6dadaf7433fc9745c1ad779f8857 · Vitruves/cchem · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
name: Build Wheels

on:
  push:
    tags:
      - 'v*'
  pull_request:
    paths:
      - 'pycchem/**'
      - '.github/workflows/wheels.yml'
  workflow_dispatch:

jobs:
  build_wheels:
    name: Build wheels on ${{ matrix.os }}
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        os: [ubuntu-latest, macos-latest, macos-14, windows-latest]

    steps:
      - uses: actions/checkout@v4

      - name: Set up Python
        uses: actions/setup-python@v5
        with:
          python-version: '3.11'

      - name: Install cibuildwheel
        run: python -m pip install cibuildwheel==2.16.5

      - name: Install dependencies (Linux)
        if: runner.os == 'Linux'
        run: |
          sudo apt-get update
          sudo apt-get install -y libcairo2-dev libjpeg-dev zlib1g-dev libzstd-dev

      - name: Install dependencies (macOS)
        if: runner.os == 'macOS'
        run: |
          brew install cairo jpeg zstd pkg-config

      - name: Install dependencies (Windows)
        if: runner.os == 'Windows'
        run: |
          vcpkg install cairo libjpeg-turbo zstd zlib pthreads --triplet x64-windows

      - name: Build cchem library (Unix)
        if: runner.os != 'Windows'
        run: |
          mkdir -p build
          cd build
          cmake .. -DCMAKE_BUILD_TYPE=Release -DENABLE_NATIVE_ARCH=OFF
          make -j$(nproc 2>/dev/null || sysctl -n hw.ncpu)

      - name: Build cchem library (Windows)
        if: runner.os == 'Windows'
        run: |
          mkdir build
          cd build
          cmake .. -DCMAKE_BUILD_TYPE=Release -DENABLE_NATIVE_ARCH=OFF -DCMAKE_TOOLCHAIN_FILE="$env:VCPKG_INSTALLATION_ROOT/scripts/buildsystems/vcpkg.cmake"
          cmake --build . --config Release -j $env:NUMBER_OF_PROCESSORS

      - name: Build wheels
        run: python -m cibuildwheel --output-dir wheelhouse pycchem
        env:
          CIBW_BUILD: "cp39-* cp310-* cp311-* cp312-*"
          CIBW_SKIP: "*-musllinux_* *-win32 *_i686"
          CIBW_ARCHS_MACOS: "x86_64 arm64"
          CIBW_ARCHS_LINUX: "x86_64"
          CIBW_ARCHS_WINDOWS: "AMD64"
          CIBW_BEFORE_BUILD: "pip install cffi"
          CIBW_TEST_REQUIRES: "pytest"
          CIBW_TEST_COMMAND: "python -c \"import pycchem; print(pycchem.version())\""

      - uses: actions/upload-artifact@v4
        with:
          name: wheels-${{ matrix.os }}
          path: ./wheelhouse/*.whl

  build_sdist:
    name: Build source distribution
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4

      - name: Set up Python
        uses: actions/setup-python@v5
        with:
          python-version: '3.11'

      - name: Install dependencies
        run: |
          sudo apt-get update
          sudo apt-get install -y libcairo2-dev libjpeg-dev zlib1g-dev libzstd-dev

      - name: Build cchem library
        run: |
          mkdir -p build
          cd build
          cmake .. -DCMAKE_BUILD_TYPE=Release -DENABLE_NATIVE_ARCH=OFF
          make -j$(nproc)

      - name: Build sdist
        run: |
          cd pycchem
          pip install build
          python -m build --sdist

      - uses: actions/upload-artifact@v4
        with:
          name: sdist
          path: pycchem/dist/*.tar.gz

  publish:
    name: Publish to PyPI
    needs: [build_wheels, build_sdist]
    runs-on: ubuntu-latest
    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')

    permissions:
      id-token: write

    steps:
      - uses: actions/download-artifact@v4
        with:
          pattern: wheels-*
          path: dist
          merge-multiple: true

      - uses: actions/download-artifact@v4
        with:
          name: sdist
          path: dist

      - name: Publish to PyPI
        uses: pypa/gh-action-pypi-publish@release/v1
        with:
          packages-dir: dist/