ci: normalize test output before cross-platform comparison #3
Workflow file for this run
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: Release | |
| on: | |
| push: | |
| tags: | |
| - 'v*' | |
| jobs: | |
| build-release: | |
| strategy: | |
| matrix: | |
| include: | |
| - os: ubuntu-latest | |
| artifact: surge-linux-x86_64 | |
| binary: surge | |
| - os: macos-14 | |
| artifact: surge-macos-arm64 | |
| binary: surge | |
| - os: windows-latest | |
| artifact: surge-windows-x86_64 | |
| binary: surge.exe | |
| runs-on: ${{ matrix.os }} | |
| defaults: | |
| run: | |
| shell: ${{ matrix.os == 'windows-latest' && 'msys2 {0}' || 'bash' }} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Setup MSYS2 (Windows only) | |
| if: matrix.os == 'windows-latest' | |
| uses: msys2/setup-msys2@v2 | |
| with: | |
| msystem: UCRT64 | |
| install: >- | |
| mingw-w64-ucrt-x86_64-gcc | |
| make | |
| mingw-w64-ucrt-x86_64-zlib | |
| curl | |
| tar | |
| - name: Install dependencies (Linux) | |
| if: matrix.os == 'ubuntu-latest' | |
| run: | | |
| sudo apt-get update | |
| sudo apt-get install -y gcc make zlib1g-dev | |
| - name: Install nauty (macOS) | |
| if: startsWith(matrix.os, 'macos') | |
| run: | | |
| brew install nauty | |
| NAUTY_LIB=$(brew --prefix nauty)/lib | |
| ln -sf "$NAUTY_LIB/libnautyL1.a" "$NAUTY_LIB/nautyL1.a" | |
| - name: Build nauty from source (Linux/Windows) | |
| if: matrix.os == 'ubuntu-latest' || matrix.os == 'windows-latest' | |
| run: | | |
| curl -L -o nauty2_9_3.tar.gz https://users.cecs.anu.edu.au/~bdm/nauty/nauty2_9_3.tar.gz | |
| tar xzf nauty2_9_3.tar.gz | |
| cd nauty2_9_3 | |
| ./configure && make | |
| - name: Build surge (Linux/Windows) | |
| if: matrix.os == 'ubuntu-latest' || matrix.os == 'windows-latest' | |
| working-directory: src | |
| run: | | |
| make surge \ | |
| NAUTY=$(cygpath -u "$GITHUB_WORKSPACE" 2>/dev/null || echo "$GITHUB_WORKSPACE")/nauty2_9_3 \ | |
| NAUTYLIB=$(cygpath -u "$GITHUB_WORKSPACE" 2>/dev/null || echo "$GITHUB_WORKSPACE")/nauty2_9_3 \ | |
| CCOPT="-O3" | |
| - name: Build surge (macOS) | |
| if: startsWith(matrix.os, 'macos') | |
| working-directory: src | |
| run: | | |
| make surge \ | |
| NAUTY=$(brew --prefix nauty)/include/nauty \ | |
| NAUTYLIB=$(brew --prefix nauty)/lib \ | |
| CCOPT="-O3" | |
| - name: Upload artifact | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: ${{ matrix.artifact }} | |
| path: src/${{ matrix.binary }} | |
| create-release: | |
| needs: build-release | |
| runs-on: ubuntu-latest | |
| permissions: | |
| contents: write | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Download all artifacts | |
| uses: actions/download-artifact@v4 | |
| with: | |
| path: artifacts | |
| - name: Package binaries | |
| run: | | |
| cd artifacts | |
| for dir in */; do | |
| name="${dir%/}" | |
| cd "$name" | |
| chmod +x * 2>/dev/null || true | |
| tar czf "../${name}.tar.gz" * | |
| cd .. | |
| done | |
| - name: Create Release | |
| uses: softprops/action-gh-release@v2 | |
| with: | |
| name: "Surge ${{ github.ref_name }}" | |
| draft: true | |
| generate_release_notes: false | |
| body: | | |
| ## Surge 2.0 | |
| A fast open-source chemical graph generator. | |
| ### What's New in 2.0 | |
| - **64-bit word size**: Supports larger molecular structures | |
| - **Aromaticity detection** (`-R`): Filter duplicate Kekule structures under carbon-ring aromaticity | |
| - **Hexagon restrictions** (`-h#`, `-h#:#`): Control 6-membered cycle counts | |
| - **Carbon 6-ring restrictions** (`-C#`, `-C#:#`): Limit carbon-only 6-membered rings | |
| - **Improved summary reporting** | |
| ### Installation | |
| Download the binary for your platform below, or build from source (see README). | |
| ### Binaries | |
| - `surge-linux-x86_64.tar.gz` - Linux (x86_64) | |
| - `surge-macos-arm64.tar.gz` - macOS (Apple Silicon) | |
| - `surge-windows-x86_64.tar.gz` - Windows (x86_64, built with MSYS2) | |
| files: | | |
| artifacts/*.tar.gz | |
| doc/surge2_0.pdf |