Add back all build matrices + build in release mode #354
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| name: build-and-test | |
| on: | |
| push: | |
| branches: | |
| - "**" | |
| pull_request: | |
| branches: | |
| - "**" | |
| #schedule: | |
| # - cron: '*/120 8-18 * * *' # every 2 hours from 8:00 to 18:00 every day | |
| jobs: | |
| ############################################################################## | |
| # JOB 1 | |
| ############################################################################## | |
| build: # current job name | |
| timeout-minutes: 30 | |
| # current job matrix. if modified, remember to UPDATE the strategy in the next job | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-24.04, windows-2022, macos-12, macos-14] # [ubuntu-22.04, windows-2022, macos-13, flyci-macos-14-m2] | |
| toolchain: | |
| - { exe: gfortran, compiler: gcc, version: 13 } | |
| - { exe: ifort, compiler: intel-classic, version: "2021.10" } | |
| - { exe: ifx, compiler: intel, version: "2023.2" } | |
| exclude: | |
| - os: macos-12 | |
| toolchain: { exe: ifx, compiler: intel, version: "2023.2" } # no support for macOS | |
| - os: macos-14 | |
| toolchain: { exe: ifx, compiler: intel, version: "2023.2" } # no support for macOS on arm64 | |
| - os: macos-14 | |
| toolchain: { exe: ifort, compiler: intel-classic, version: "2021.10" } # no support for macOS on arm64 | |
| runs-on: ${{ matrix.os }} | |
| steps: # job steps | |
| - name: Check-out repository | |
| uses: actions/checkout@v4 | |
| - name: Set up Fortran compiler (FC) [all except Windows + gfortran] # except: use pre-installed gfortran | |
| if: runner.os != 'Windows' || matrix.toolchain.exe != 'gfortran' | |
| uses: fortran-lang/setup-fortran@v1 | |
| id: setup-fortran | |
| with: | |
| compiler: ${{ matrix.toolchain.compiler }} | |
| version: ${{ matrix.toolchain.version }} | |
| - name: Set up NMake build tool [Windows] | |
| if: runner.os == 'Windows' | |
| uses: ilammy/msvc-dev-cmd@v1 | |
| - name: Set up Python environment | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.11' | |
| - name: Upgrade package installer for Python | |
| shell: bash | |
| run: pip install --upgrade pip | |
| - name: Install Python dependences | |
| shell: bash | |
| run: pip install '.[ci,test]' # 'ci' and 'test' extras from pyproject.toml | |
| - name: Fix reinstalling gcc [macOS] # needed because of `brew reinstall gcc` | |
| if: runner.os == 'macOS' | |
| shell: bash | |
| run: echo "MACOSX_DEPLOYMENT_TARGET=$(sw_vers -productVersion)" >> $GITHUB_ENV | |
| - name: Create build scripts in scripts/scripts | |
| shell: bash | |
| run: > | |
| python3 pybuild.py | |
| --create-scripts | |
| --platform ${{ runner.os }} | |
| --compiler ${{ matrix.toolchain.exe }} | |
| --mode debug | |
| --bash-syntax | |
| --enable-backslash-escapes | |
| - name: Print build-specific variables | |
| shell: bash | |
| run: scripts/print_build_variables.sh # bash -x scripts/print_build_variables.sh for printing commands | |
| - name: Create CFML and pyCFML directories | |
| shell: bash | |
| run: | | |
| scripts/create_cfml_repo_dir.sh | |
| scripts/create_cfml_build_dir.sh | |
| scripts/create_cfml_dist_dir.sh | |
| scripts/create_pycfml_src_dir.sh | |
| scripts/create_pycfml_build_dir.sh | |
| scripts/create_pycfml_dist_dir.sh | |
| - name: Download CFML repository | |
| shell: bash | |
| run: scripts/download_cfml_repo.sh | |
| - name: Build CFML modules | |
| shell: bash | |
| run: | | |
| scripts/rename_global_deps_file.sh | |
| scripts/build_cfml_modules_obj.sh | |
| scripts/delete_renamed_global_deps_file.sh | |
| - name: Build CFML static library | |
| shell: bash | |
| run: scripts/build_cfml_static_lib.sh | |
| - name: Make CFML distribution | |
| shell: bash | |
| run: scripts/move_built_to_cfml_dist.sh | |
| - name: Build und run CFML functional test programs (incl. benchmarks) | |
| # 1st combination: this always fails with 'Undefined symbols...' error | |
| # 2nd combination: this randomly fails with test__Simple_calc_powder__SrTiO3s 'forrtl: severe (157): Program Exception - access violation' | |
| if: | | |
| (runner.os != 'macOS' || matrix.toolchain.exe != 'ifort') | |
| && | |
| (runner.os != 'Windows' || matrix.toolchain.exe != 'ifx') | |
| shell: bash | |
| run: | | |
| scripts/build_cfml_test_programs.sh | |
| scripts/copy_cfml_test_programs_to_tests_dir.sh | |
| scripts/run_cfml_functional_tests_no_benchmarks.sh | |
| # # scripts/run_cfml_functional_tests_with_benchmarks.sh | |
| #- name: Push benchmark results to repository | |
| # uses: EndBug/add-and-commit@v9 | |
| # with: | |
| # add: '.benchmarks' | |
| # message: 'Auto push benchmark results by GitHub Action for ${{ runner.os }} + ${{ matrix.toolchain.exe }}' | |
| # pull: '--rebase --autostash' | |
| #- name: Copy powder_mod from CFML to pyCFML | |
| # shell: bash | |
| # run: scripts/copy_powder_mod_to_pycfml_repo.sh | |
| - name: Create pyCFML source code | |
| shell: bash | |
| run: scripts/create_pycfml_src.sh | |
| - name: Build pyCFML modules | |
| shell: bash | |
| run: scripts/build_pycfml_modules_obj.sh | |
| - name: Build pyCFML shared obj / dynamic library | |
| shell: bash | |
| run: | | |
| #export LD_LIBRARY_PATH=/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib/python3.11/config-3.11-darwin:$LD_LIBRARY_PATH | |
| #export LD_LIBRARY_PATH=/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib:$LD_LIBRARY_PATH | |
| export LIBRARY_PATH="/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib/python3.11/config-3.11-darwin:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11" | |
| export LD_LIBRARY_PATH="/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib/python3.11/config-3.11-darwin:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11" | |
| export DYLD_LIBRARY_PATH="/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib/python3.11/config-3.11-darwin:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11" | |
| export DYLD_FALLBACK_LIBRARY_PATH="/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib/python3.11/config-3.11-darwin:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11" | |
| export DYLD_FALLBACK_FRAMEWORK_PATH="/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib/python3.11/config-3.11-darwin:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11/lib:/opt/homebrew/opt/python@3.11/Frameworks/Python.framework/Versions/3.11" | |
| scripts/build_pycfml_lib_obj.sh | |
| scripts/build_pycfml_shared_obj_or_dynamic_lib.sh | |
| - name: Make pyCFML distribution | |
| shell: bash | |
| run: | | |
| scripts/copy_built_to_pycfml_dist.sh | |
| scripts/change_runpath_for_built_pycfml.sh | |
| scripts/copy_extra_libs_to_pycfml_dist.sh | |
| scripts/copy_py_api_files_to_pycfml_dist.sh | |
| scripts/copy_init_file_to_pycfml_dist.sh | |
| scripts/copy_cfml_databases_to_pycfml_dist.sh | |
| - name: Create Python package wheel of pyCFML | |
| shell: bash | |
| run: | | |
| scripts/validate_pyproject_toml.sh | |
| scripts/create_pycfml_python_wheel.sh | |
| scripts/rename_pycfml_python_wheel.sh | |
| scripts/detect_abi3_violations.sh | |
| scripts/check_wheel_contents.sh | |
| - name: Prepare for uploading Python package wheel of pyCFML | |
| shell: bash | |
| run: echo "WHEEL_DIR=$(python3 pybuild.py --print-wheel-dir)" >> $GITHUB_ENV | |
| - name: Upload zipped Python package wheel of pyCFML for next job | |
| uses: actions/upload-artifact@v4 | |
| with: # if name or path modified, remember to UPDATE those in the download step of the next job | |
| name: pycfml-wheel_${{ matrix.os }}_${{ matrix.toolchain.exe }} # name (without .zip) of the zip file to be uploaded | |
| path: ${{ env.WHEEL_DIR }} # all files from this directory are zipped | |
| if-no-files-found: "error" | |
| compression-level: 0 | |
| ############################################################################## | |
| # JOB 2 | |
| ############################################################################## | |
| tests: # current job name | |
| needs: build # previous job 'build' need to be finished first | |
| if: always() # start this job even if the previous job failed | |
| timeout-minutes: 30 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-24.04, windows-2022, macos-12, macos-14] # [ubuntu-22.04, windows-2022, macos-13, flyci-macos-14-m2] | |
| toolchain: | |
| - { exe: gfortran, compiler: gcc, version: 13 } | |
| - { exe: ifort, compiler: intel-classic, version: "2021.10" } | |
| - { exe: ifx, compiler: intel, version: "2023.2" } | |
| exclude: | |
| - os: macos-12 | |
| toolchain: { exe: ifx, compiler: intel, version: "2023.2" } # no support for macOS | |
| - os: macos-14 | |
| toolchain: { exe: ifx, compiler: intel, version: "2023.2" } # no support for macOS on arm64 | |
| - os: macos-14 | |
| toolchain: { exe: ifort, compiler: intel-classic, version: "2021.10" } # no support for macOS on arm64 | |
| runs-on: ${{ matrix.os }} | |
| steps: # job steps | |
| - name: Check-out repository | |
| uses: actions/checkout@v4 | |
| - name: Set up python environment | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.11' | |
| - name: Upgrade package installer for Python | |
| shell: bash | |
| run: python3 -m pip install --upgrade pip | |
| - name: Install Python dependences | |
| shell: bash | |
| run: pip install '.[ci,test]' # 'ci' and 'test' extras from pyproject.toml | |
| - name: Create job step scripts | |
| shell: bash | |
| run: > | |
| python3 pybuild.py | |
| --create-scripts | |
| --platform ${{ runner.os }} | |
| --compiler ${{ matrix.toolchain.exe }} | |
| --mode debug | |
| --bash-syntax | |
| --enable-backslash-escapes | |
| - name: Prepare for downloading Python package wheel of pyCFML | |
| shell: bash | |
| run: echo "WHEEL_DIR=$(python3 pybuild.py --print-wheel-dir)" >> $GITHUB_ENV | |
| - name: Download zipped pyCFML wheel from previous job | |
| uses: actions/download-artifact@v4 | |
| with: # name or path are taken from the upload step of the previous job | |
| name: pycfml-wheel_${{ matrix.os }}_${{ matrix.toolchain.exe }} # name (without .zip) of the zipped artifact uploaded on the previous jobs | |
| path: ${{ env.WHEEL_DIR }} # directory to extract downloaded zipped artifacts | |
| - name: Install pyCFML from downloaded Python package wheel (with dev extras) | |
| shell: bash | |
| run: scripts/install_pycfml_from_wheel.sh | |
| - name: Run pyCFML unit tests | |
| shell: bash | |
| run: scripts/run_pycfml_unit_tests.sh | |
| - name: Run pyCFML functional tests | |
| shell: bash | |
| run: scripts/run_pycfml_functional_tests_no_benchmarks.sh | |
| ############################################################################## | |
| # JOB 3 | |
| ############################################################################## | |
| publish: # current job name | |
| needs: tests # previous job 'tests' need to be finished first | |
| if: always() # start this job even if the previous job failed | |
| timeout-minutes: 30 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-24.04, windows-2022, macos-12, macos-14] # [ubuntu-22.04, windows-2022, macos-13, flyci-macos-14-m2] | |
| python-version: ['3.10', '3.11', '3.12'] | |
| toolchain: | |
| - { exe: gfortran, compiler: gcc, version: 13 } | |
| runs-on: ${{ matrix.os }} | |
| steps: # job steps | |
| - name: Check-out repository | |
| uses: actions/checkout@v4 | |
| - name: Declare env variables on push only | |
| if: github.event_name == 'push' | |
| shell: bash | |
| run: echo "BRANCH_NAME=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV | |
| - name: Declare env variables on pull_request only | |
| if: github.event_name == 'pull_request' | |
| shell: bash | |
| run: echo "BRANCH_NAME=$GITHUB_HEAD_REF" >> $GITHUB_ENV | |
| - name: Set up Fortran compiler (FC) [all except Windows + gfortran] # except: use pre-installed gfortran | |
| if: runner.os != 'Windows' || matrix.toolchain.exe != 'gfortran' | |
| uses: fortran-lang/setup-fortran@v1 | |
| id: setup-fortran | |
| with: | |
| compiler: ${{ matrix.toolchain.compiler }} | |
| version: ${{ matrix.toolchain.version }} | |
| - name: Set up NMake build tool [Windows] | |
| if: runner.os == 'Windows' | |
| uses: ilammy/msvc-dev-cmd@v1 | |
| - name: Set up Python environment | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Upgrade package installer for Python | |
| shell: bash | |
| run: pip install --upgrade pip | |
| - name: Install Python dependences | |
| shell: bash | |
| run: pip install '.[ci,test]' # 'ci' and 'test' extras from pyproject.toml | |
| - name: Fix reinstalling gcc [macOS] # needed because of `brew reinstall gcc` | |
| if: runner.os == 'macOS' | |
| shell: bash | |
| run: echo "MACOSX_DEPLOYMENT_TARGET=$(sw_vers -productVersion)" >> $GITHUB_ENV | |
| - name: Create build scripts in scripts/scripts | |
| shell: bash | |
| run: > | |
| python3 pybuild.py | |
| --create-scripts | |
| --platform ${{ runner.os }} | |
| --compiler ${{ matrix.toolchain.exe }} | |
| --mode release | |
| --bash-syntax | |
| --enable-backslash-escapes | |
| - name: Print some build-specific variables | |
| shell: bash | |
| run: scripts/print_build_variables.sh # bash -x scripts/print_build_variables.sh for printing commands | |
| - name: Create scripts, CFML and pyCFML directories | |
| shell: bash | |
| run: | | |
| scripts/create_cfml_repo_dir.sh | |
| scripts/create_cfml_build_dir.sh | |
| scripts/create_cfml_dist_dir.sh | |
| scripts/create_pycfml_src_dir.sh | |
| scripts/create_pycfml_build_dir.sh | |
| scripts/create_pycfml_dist_dir.sh | |
| - name: Download CFML repository | |
| shell: bash | |
| run: scripts/download_cfml_repo.sh | |
| - name: Build CFML modules | |
| shell: bash | |
| run: | | |
| scripts/rename_global_deps_file.sh | |
| scripts/build_cfml_modules_obj.sh | |
| scripts/delete_renamed_global_deps_file.sh | |
| - name: Build CFML static library | |
| shell: bash | |
| run: scripts/build_cfml_static_lib.sh | |
| - name: Make CFML distribution | |
| shell: bash | |
| run: scripts/move_built_to_cfml_dist.sh | |
| - name: Create pyCFML source code | |
| shell: bash | |
| run: scripts/create_pycfml_src.sh | |
| - name: Build pyCFML modules | |
| shell: bash | |
| run: scripts/build_pycfml_modules_obj.sh | |
| - name: Build pyCFML shared obj / dynamic library | |
| shell: bash | |
| run: | | |
| scripts/build_pycfml_lib_obj.sh | |
| scripts/build_pycfml_shared_obj_or_dynamic_lib.sh | |
| - name: Make pyCFML distribution | |
| shell: bash | |
| run: | | |
| scripts/copy_built_to_pycfml_dist.sh | |
| scripts/change_runpath_for_built_pycfml.sh | |
| scripts/copy_extra_libs_to_pycfml_dist.sh | |
| scripts/copy_py_api_files_to_pycfml_dist.sh | |
| scripts/copy_init_file_to_pycfml_dist.sh | |
| scripts/copy_cfml_databases_to_pycfml_dist.sh | |
| - name: Create Python package wheel of pyCFML | |
| shell: bash | |
| run: | | |
| scripts/validate_pyproject_toml.sh | |
| scripts/create_pycfml_python_wheel.sh | |
| scripts/rename_pycfml_python_wheel.sh | |
| - name: Prepare for uploading Python package wheel of pyCFML | |
| shell: bash | |
| run: | | |
| echo "WHEEL_DIR=$(python3 pybuild.py --print-wheel-dir)" >> $GITHUB_ENV | |
| echo "RELEASE_VERSION=$(python3 pybuild.py --print-release-version)" >> $GITHUB_ENV | |
| echo "RELEASE_TITLE=$(python3 pybuild.py --print-release-title)" >> $GITHUB_ENV | |
| - name: Upload Python package wheel to releases (non-master branch) | |
| if: github.event_name == 'push' && env.BRANCH_NAME != 'master' | |
| uses: ncipollo/release-action@v1 | |
| with: | |
| draft: true | |
| prerelease: true | |
| allowUpdates: true | |
| replacesArtifacts: true | |
| token: ${{ secrets.GITHUB_TOKEN }} | |
| artifacts: "${{ env.WHEEL_DIR }}/*.whl" | |
| tag: ${{ env.BRANCH_NAME }} | |
| name: ${{ env.BRANCH_NAME }} | |
| bodyFile: "RELEASE.md" | |
| - name: Upload Python package wheel to releases (master branch) | |
| if: github.event_name == 'push' && env.BRANCH_NAME == 'master' | |
| uses: ncipollo/release-action@v1 | |
| with: | |
| draft: true | |
| prerelease: true | |
| allowUpdates: true | |
| replacesArtifacts: true | |
| token: ${{ secrets.GITHUB_TOKEN }} | |
| artifacts: "${{ env.WHEEL_DIR }}/*.whl" | |
| tag: ${{ env.RELEASE_VERSION }} | |
| name: ${{ env.RELEASE_TITLE }} | |
| bodyFile: "RELEASE.md" |