ci.yml

name: CI

on: [push, pull_request]

jobs:
  standard:
    strategy:
      matrix:
        include:
          - os: macos-11
            build: Release
    name: ${{ matrix.os }}
    runs-on: ${{ matrix.os }}
    if: "!contains(github.event.head_commit.message, '[skip ci]')"
    steps:
    - uses: actions/checkout@v3

    - name: mkdir build
      run: cmake -E make_directory ${{runner.workspace}}/build

    - name: Configure CMake
      shell: bash
      working-directory: ${{runner.workspace}}/build
      run: |
        cmake --version
        cmake $GITHUB_WORKSPACE -DCMAKE_BUILD_TYPE=${{ matrix.build }}

    - name: Build
      working-directory: ${{runner.workspace}}/build
      shell: bash
      run: cmake --build . --config ${{ matrix.build }}

    - name: Test
      working-directory: ${{runner.workspace}}/build
      shell: bash
      run: cmake --build . --config ${{ matrix.build }} --target check

    - name: Python Setup
      run: |
        python3 -m pip install wheel
        python3 -m pip wheel -v .
        python3 -m pip install gemmi-*.whl

    - name: Python Tests
      run: python3 -m unittest discover -v -s tests/

    - uses: actions/upload-artifact@v3
      with:
        name: gemmi-macos11
        path: |
          ${{runner.workspace}}/build/gemmi
          ${{runner.workspace}}/gemmi-*.whl
        retention-days: 14


  windows2022:
    name: "Windows 2022"
    runs-on: windows-2022
    if: "!contains(github.event.head_commit.message, '[skip ci]')"
    steps:
    - uses: actions/checkout@v3
    - uses: actions/setup-python@v4
      with:
        python-version: "3.10"
    - name: build and test
      run: |
        python -m pip install -v .
        python -m pip install numpy
        python -m unittest discover -v -s tests/
    - name: run doctest
      working-directory: ./docs
      run: |
        python -m pip install sphinx
        sphinx-build -M doctest . _build -n -E


  ubuntu2204:
    name: "Ubuntu 22.04"
    runs-on: ubuntu-22.04
    if: "!contains(github.event.head_commit.message, '[skip ci]')"
    steps:
    - uses: actions/checkout@v3
    - name: apt-get
      run: |
        sudo apt-get update
        sudo apt-get install libz-dev python3-pip g++ gfortran python3-numpy
    - name: install pybind11
      run: |
        git clone --depth=1 https://github.com/pybind/pybind11.git
        cd pybind11
        cmake . -Wno-dev -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPYBIND11_TEST=OFF
        make
        sudo make install
    - name: build and test
      run: |
        g++ --version
        cmake --version
        mkdir build
        cd build
        cmake .. -DCMAKE_BUILD_TYPE=MinSizeRel -DUSE_FORTRAN=1 -DEXTRA_WARNINGS=1 -DUSE_PYTHON=1 -DPYTHON_EXECUTABLE=/usr/bin/python3
        make -j2
        make -j2 check
        python3 -m unittest discover -v -s ../tests/
        strip --strip-unneeded ./gemmi ./gemmi.cpython*.so
    - name: run doctest
      run: |
        sudo python3 -m pip install -U sphinx
        export PYTHONPATH=$PWD/build
        cd docs
        sphinx-build -M doctest . _build -n -E

  ubuntu2004:
    name: "Ubuntu 20.04"
    runs-on: ubuntu-20.04
    if: "!contains(github.event.head_commit.message, '[skip ci]')"
    steps:
    - uses: actions/checkout@v3
    - name: apt-get
      run: |
        sudo apt-get update
        sudo apt-get install libz-dev python3-pip g++ gfortran python3-setuptools python3-numpy valgrind
    - name: build and test
      run: |
        g++ --version
        cmake --version
        mkdir build
        cd build
        cmake .. -DCMAKE_BUILD_TYPE=Debug
        cmake --build . --config Debug
        cmake --build . --config Debug --target check
        cd ..
        python3 setup.py install --user --prefix=
        python3 -m unittest discover -v -s tests/
    - name: run doctest
      run: |
        sudo pip3 install -U sphinx
        cd docs
        sphinx-build -M doctest . _build -n -E
    - name: run tests under valgrind
      run: PYTHONMALLOC=malloc valgrind python3 -m unittest discover -v -s tests/
    - uses: actions/upload-artifact@v3
      with:
        name: gemmi-linux
        path: dist/gemmi*.egg
        retention-days: 14

  ubuntu2004_clang6:
    name: "Ubuntu 20.04 with Clang 6.0"
    runs-on: ubuntu-20.04
    if: "!contains(github.event.head_commit.message, '[skip ci]')"
    env:
      CC: clang-6.0
      CXX: clang++-6.0
    steps:
    - uses: actions/checkout@v3
    - run: sudo apt-get install clang-6.0 libz-dev python3-pip python3-setuptools python3-numpy
    - name: install pybind11
      run: |
        sudo /usr/bin/python3 -m pip install "pybind11[global]"
    - name: build and test
      run: |
        $CXX --version
        cmake -DCMAKE_CXX_STANDARD=11 -DEXTRA_WARNINGS=1 .
        make -j2 all
        make -j2 check
        python3 setup.py sdist
        python3 -m pip install -v dist/gemmi-*.tar.gz
        python3 -m unittest discover -v -s tests/

  centos:
    runs-on: ubuntu-latest
    name: "CentOS 7"
    container: centos:7
    if: "!contains(github.event.head_commit.message, '[skip ci]')"
    steps:
    - uses: actions/checkout@v3
    - name: yum
      run: |
        yum update -y && yum install -y epel-release
        yum install -y gcc-c++ cmake3 make git python3-devel
        pip3 install -U numpy
        g++ --version
        python3 --version
        cmake3 --version
        type python3
    - name: install pybind11
      run: |
        git clone --branch stable --depth=1 https://github.com/pybind/pybind11.git
        cd pybind11
        cmake3 . -Wno-dev -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPYBIND11_TEST=OFF
        make
        make install
    - name: build and test
      run: |
        pwd
        cmake3 . -DUSE_PYTHON=1 -DPYTHON_EXECUTABLE=/usr/bin/python3
        make -j2
        make -j2 check
        python3 -m unittest discover -v -s ./tests/
        strip --strip-unneeded ./gemmi ./gemmi.cpython*.so
    - name: run doctest
      run: |
        pip3 install -U sphinx
        cd docs
        PYTHONPATH=.. sphinx-build -M doctest . _build -n -E
    - uses: actions/upload-artifact@v3
      with:
        name: gemmi-linux
        path: |
          ./gemmi
          ./gemmi.cpython*.so
        retention-days: 14