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fortran-build.yml
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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]
version: [12, 13, 14]
include:
- os: ubuntu-22.04
version: 10
- os: ubuntu-22.04
version: 11
- os: ubuntu-24.04-arm
version: 14
steps:
- name: Checkout code
uses: actions/checkout@v4
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: 3.x
- name: Install OpenBLAS (macOS)
if: ${{ contains(matrix.os, 'macos') }}
run: |
brew install openblas
echo "PKG_CONFIG_PATH=/usr/local/opt/openblas/lib/pkgconfig" >> $GITHUB_ENV
echo "LDFLAGS=-L/opt/homebrew/opt/openblas/lib" >> $GITHUB_ENV
echo "CPPFLAGS=-I/opt/homebrew/opt/openblas/include" >> $GITHUB_ENV
- name: Install OpenBLAS (ubuntu-latest)
if: ${{ matrix.os == 'ubuntu-latest' || contains(matrix.os, 'ubuntu-24.04') }}
run: |
sudo apt-get install libopenblas-dev
- name: Install meson
run: pip install meson ninja cmake
- name: Configure build
run: >-
meson setup ${{ env.BUILD_DIR }} --buildtype=debug --warnlevel=0 -Db_coverage=true ${{ env.MESON_ARGS }}
env:
FC: gfortran-${{ matrix.version }}
CC: gcc-${{ matrix.version }}
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, ubuntu-24.04-arm]
fc: [gfortran-14]
cc: [gcc-14]
build: [Release]
steps:
- name: Checkout code
uses: actions/checkout@v4
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: 3.x
- name: Install OpenBLAS (ubuntu-latest)
if: ${{ matrix.os == 'ubuntu-latest' || contains(matrix.os, 'ubuntu-24.04') }}
run: |
sudo apt-get install libopenblas-dev
- name: Install CMake
run: pip install ninja cmake
- name: Configure build
run: cmake -B ${{ env.BUILD_DIR }} -G Ninja -DCMAKE_BUILD_TYPE=${{ matrix.build }}
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-14]
cc: [gcc-14]
steps:
- name: Checkout code
uses: actions/checkout@v4
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: 3.x
- name: Install OpenBLAS (ubuntu-latest)
if: ${{ matrix.os == 'ubuntu-latest' || contains(matrix.os, 'ubuntu-24.04') }}
run: |
sudo apt-get install libopenblas-dev
- 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-14]
cc: [gcc-14]
steps:
- name: Checkout code
uses: actions/checkout@v4
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: 3.x
- name: Install OpenBLAS (ubuntu-latest)
if: ${{ matrix.os == 'ubuntu-latest' || contains(matrix.os, 'ubuntu-24.04') }}
run: |
sudo apt-get install libopenblas-dev
- 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@v4
- 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-latest]
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@v4
- name: Setup Python
uses: actions/setup-python@v5
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@v4
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: ${{ secrets.GITHUB_TOKEN }}
RELEASE_TAG: bleed
OUTPUT_INTEL: xtb-bleed.tar.xz
steps:
- uses: actions/checkout@v4
- name: Install github-release
run: |
go install github.com/github-release/github-release@latest
echo "GOPATH=$(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/[email protected]
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