fortran-build.yml

name: CI
on: [push, pull_request]

env:
  BUILD_DIR: _build

jobs:
  gcc-meson-build:
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        os: [macos-latest, ubuntu-latest]
        fc: [gfortran-11]
        cc: [gcc-11]
        include:
          - os: ubuntu-latest
            fc: gfortran-9
            cc: gcc-9
          - os: ubuntu-latest
            fc: gfortran-10
            cc: gcc-10

    steps:
    - name: Checkout code
      uses: actions/checkout@v3

    - name: Setup Python
      uses: actions/setup-python@v1
      with:
        python-version: 3.x

    - name: Install OpenBLAS (OSX)
      if: ${{ contains(matrix.os, 'macos') }}
      run: |
        brew install openblas
        echo "PKG_CONFIG_PATH=/usr/local/opt/openblas/lib/pkgconfig" >> $GITHUB_ENV
        
    - name: Install meson
      run: pip3 install meson==0.62.0 ninja cmake

    - name: Configure build
      run: >-
        meson setup ${{ env.BUILD_DIR }}
        --buildtype=debug
        --warnlevel=0
        -Db_coverage=true
        ${{ env.MESON_ARGS }}
      env:
        FC: ${{ matrix.fc }}
        CC: ${{ matrix.cc }}
        MESON_ARGS: ${{ contains(matrix.os, 'macos') && '-Dlapack=openblas' || '-Dlapack=netlib' }}

    - name: Build project
      run: meson compile -C ${{ env.BUILD_DIR }}

    - name: Run unit tests
      run: meson test -C ${{ env.BUILD_DIR }} --print-errorlogs --no-rebuild -t 120 --suite xtb
      env:
        OMP_NUM_THREADS: 2,1

    - name: Upload coverage report
      run: bash <(curl -s https://codecov.io/bash)

  gcc-cmake-build:
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        os: [ubuntu-latest]
        fc: [gfortran-10]
        cc: [gcc-10]

    steps:
    - name: Checkout code
      uses: actions/checkout@v3

    - name: Setup Python
      uses: actions/setup-python@v4
      with:
        python-version: 3.x

    - name: Install CMake
      run: pip3 install ninja cmake==3.26.4

    - name: Configure build
      run: cmake -B ${{ env.BUILD_DIR }} -G Ninja
      env:
        FC: ${{ matrix.fc }}
        CC: ${{ matrix.cc }}

    - name: Build project
      run: cmake --build ${{ env.BUILD_DIR }}

    - name: Run unit tests
      run: ctest --parallel --output-on-failure -R 'xtb/*'
      working-directory: ${{ env.BUILD_DIR }}
      env:
        OMP_NUM_THREADS: 2,1
  
  xtb-lightweight-meson-build:
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        os: [ubuntu-latest]
        fc: [gfortran-11]
        cc: [gcc-11]

    steps:
    - name: Checkout code
      uses: actions/checkout@v3

    - name: Setup Python
      uses: actions/setup-python@v1
      with:
        python-version: 3.x
 
    - name: Install meson
      run: pip3 install meson==0.62.0 ninja cmake

    - name: Configure build
      run: >-
        meson setup ${{ env.BUILD_DIR }}
        --buildtype=debug
        --warnlevel=0
        ${{ env.MESON_ARGS }}
      env:
        FC: ${{ matrix.fc }}
        CC: ${{ matrix.cc }}
        MESON_ARGS: ${{ '-Dlapack=netlib -Dtblite=disabled -Dcpcmx=disabled' }}

    - name: Build project
      run: meson compile -C ${{ env.BUILD_DIR }}

    - name: Run unit tests
      run: meson test -C ${{ env.BUILD_DIR }} --print-errorlogs --no-rebuild -t 120 --suite xtb
      env:
        OMP_NUM_THREADS: 2,1

  xtb-lightweight-cmake-build:
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        os: [ubuntu-latest]
        fc: [gfortran-10]
        cc: [gcc-10]

    steps:
    - name: Checkout code
      uses: actions/checkout@v3

    - name: Setup Python
      uses: actions/setup-python@v4
      with:
        python-version: 3.x

    - name: Install CMake
      run: pip3 install ninja cmake==3.26.4

    - name: Configure build
      run: cmake -B ${{ env.BUILD_DIR }} -DWITH_CPCMX=false -DWITH_TBLITE=false -G Ninja
      env:
        FC: ${{ matrix.fc }}
        CC: ${{ matrix.cc }}

    - name: Build project
      run: cmake --build ${{ env.BUILD_DIR }}

    - name: Run unit tests
      run: ctest --parallel --output-on-failure -R 'xtb/*'
      working-directory: ${{ env.BUILD_DIR }}
      env:
        OMP_NUM_THREADS: 2,1

  # Test native MinGW Windows build
  mingw-meson-build:
    runs-on: windows-latest
    strategy:
      fail-fast: false
      matrix:
        include: [
          { msystem: MINGW64, arch: x86_64 },
        # { msystem: MINGW32, arch: i686   }
        ]
    defaults:
      run:
        shell: msys2 {0}
    steps:
    - name: Checkout code
      uses: actions/checkout@v3

    - name: Setup MSYS2 toolchain
      uses: msys2/setup-msys2@v2
      with:
        msystem: ${{ matrix.msystem }}
        update: false
        install: >-
          git
          mingw-w64-${{ matrix.arch }}-gcc-fortran
          mingw-w64-${{ matrix.arch }}-openblas
          mingw-w64-${{ matrix.arch }}-lapack
          mingw-w64-${{ matrix.arch }}-python
          mingw-w64-${{ matrix.arch }}-python-pip
          mingw-w64-${{ matrix.arch }}-meson
          mingw-w64-${{ matrix.arch }}-ninja

    - name: Configure build
      run: meson setup ${{ env.BUILD_DIR }} -Dlapack=netlib --warnlevel=0
      env:
        FC: gfortran
        CC: gcc

    - name: Build project
      run: meson compile -C ${{ env.BUILD_DIR }}

    - name: Run unit tests
      run: meson test -C ${{ env.BUILD_DIR }} --print-errorlogs --no-rebuild -t 120 --suite xtb
      env:
        OMP_NUM_THREADS: 1

  intel-meson-build:
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        os: [ubuntu-20.04]
        fc: [ifort]
        cc: [icc]
    env:
      FC: ${{ matrix.fc }}
      CC: ${{ matrix.cc }}
      APT_PACKAGES: >-
        intel-oneapi-compiler-fortran
        intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic
        intel-oneapi-mkl
        intel-oneapi-mkl-devel
        asciidoctor

    steps:
    - name: Checkout code
      uses: actions/checkout@v3

    - name: Setup Python
      uses: actions/setup-python@v1
      with:
        python-version: 3.x

    - run: pip3 install meson ninja --user

    - name: Add Intel repository
      if: contains(matrix.os, 'ubuntu')
      run: |
        wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
        sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
        rm GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
        echo "deb https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
        sudo apt-get update

    - name: Install Intel oneAPI compiler
      if: contains(matrix.os, 'ubuntu')
      run: |
        sudo apt-get install ${APT_PACKAGES}
        source /opt/intel/oneapi/setvars.sh
        source /opt/intel/oneapi/compiler/2024.0/env/vars.sh
        printenv >> $GITHUB_ENV

    - name: Configure meson build
      run: >-
        meson setup ${{ env.BUILD_DIR }}
        --prefix=/ --libdir=lib
        -Dfortran_link_args="-lifcoremt -static"
        -Ddefault_library=static
        -Dlapack=mkl

    - name: Build project
      run: ninja -C ${{ env.BUILD_DIR }}

    - name: Run unit tests
      run: >-
        meson test -C ${{ env.BUILD_DIR }}
        --print-errorlogs
        --num-processes 1
        --no-rebuild
        --suite xtb
        -t 120
      env:
        OMP_NUM_THREADS: 2,1

    - name: Install package
      run: |
        meson install -C ${{ env.BUILD_DIR }} --no-rebuild
        tar cJvf xtb-bleed.tar.xz xtb-bleed
      env:
        DESTDIR: ${{ env.PWD }}/xtb-bleed

    - name: Upload binary
      if: github.event_name == 'push'
      uses: actions/upload-artifact@v2
      with:
        name: xtb-bleed.tar.xz
        path: xtb-bleed.tar.xz

  # Inspired from https://github.com/endless-sky/endless-sky
  continuous-delivery:
    if: github.event_name == 'push'
    runs-on: ubuntu-latest
    needs:
      - intel-meson-build

    env:
      GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
      RELEASE_TAG: bleed
      OUTPUT_INTEL: xtb-bleed.tar.xz

    steps:
    - uses: actions/checkout@v3

    - name: Install github-release
      run: |
        go install github.com/github-release/github-release@latest
        echo "GOPATH=$(go env GOPATH)" >> $GITHUB_ENV
        echo "$(go env GOPATH)/bin" >> $GITHUB_PATH

    - name: Set environment variables
      run: |
        echo "GITHUB_USER=$( echo ${{ github.repository }} | cut -d/ -f1 )" >> $GITHUB_ENV
        echo "GITHUB_REPO=$( echo ${{ github.repository }} | cut -d/ -f2 )" >> $GITHUB_ENV

    - name: Move/Create continuous tag
      run: |
        git tag --force ${{ env.RELEASE_TAG }} ${{ github.sha }}
        git push --tags --force

    - name: Get Time
      run: echo "TIME=$(date -u '+%Y/%m/%d, %H:%M')" >> $GITHUB_ENV

    - name: Check continuous release status
      run: |
        if ! github-release info -t ${{ env.RELEASE_TAG }} > /dev/null 2>&1; then
          echo "RELEASE_COMMAND=release" >> $GITHUB_ENV
        else
          echo "RELEASE_COMMAND=edit" >> $GITHUB_ENV
        fi

    - name: Setup continuous release
      run: >-
        github-release ${{ env.RELEASE_COMMAND }}
        --tag ${{ env.RELEASE_TAG }}
        --name "Bleeding edge version"
        --description "$DESCRIPTION"
        --pre-release
      env:
        DESCRIPTION: |
          Created on ${{ env.TIME }} UTC by @${{ github.actor }} with commit ${{ github.sha }}.
          This is an automated distribution of the latest `xtb` version. This version is only minimally tested and may be unstable or even crash. Use with caution!
          https://github.com/${{ github.repository }}/actions/runs/${{ github.run_id }}

    - name: Download Artifacts
      uses: actions/download-artifact@v2
      with:
        path: ${{ github.workspace }} # This will download all files

    - name: Create SHA256 checksum
      run: |
        cd ${{ env.OUTPUT_INTEL }}
        sha256sum ${{ env.OUTPUT_INTEL }} > sha256.txt

    - name: Add ${{ env.OUTPUT_INTEL }} to release tag
      run: >-
        github-release upload
        --tag ${{ env.RELEASE_TAG }}
        --replace
        --name ${{ env.OUTPUT_INTEL }}
        --file ${{ env.OUTPUT_INTEL }}/${{ env.OUTPUT_INTEL }}

    - name: Add SHA256 checksums to release tag
      run: >-
        github-release upload
        --tag ${{ env.RELEASE_TAG }}
        --replace
        --name sha256.txt
        --file ${{ env.OUTPUT_INTEL }}/sha256.txt