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@v4

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

      -  name: Install CMake
         run: pip3 install ninja cmake

      -  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@v4

      -  name: Setup Python
         uses: actions/setup-python@v4
         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@v4

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

      -  name: Install CMake
         run: pip3 install ninja cmake

      -  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-2022.1.0
            intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic-2022.1.0
            intel-oneapi-mkl-2022.1.0
            intel-oneapi-mkl-devel-2022.1.0
            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
            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