implemented v2000 version of sdf/mol file format #1537
This file contains 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: build-cmake | |
| on: [push, pull_request, workflow_dispatch] | |
| env: | |
| HOMEBREW_DISPLAY_INSTALL_TIMES: "ON" | |
| HOMEBREW_NO_ANALYTICS: "ON" | |
| HOMEBREW_NO_AUTO_UPDATE: "ON" | |
| HOMEBREW_NO_BOTTLE_SOURCE_FALLBACK: "ON" | |
| HOMEBREW_NO_GITHUB_API: "ON" | |
| HOMEBREW_NO_INSTALL_CLEANUP: "ON" | |
| jobs: | |
| build-cmake: | |
| name: ${{ matrix.os }}, gfortran | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| # os: [ubuntu-latest, macos-latest] | |
| os: [ubuntu-latest] | |
| runs-on: ${{ matrix.os }} | |
| timeout-minutes: 10 | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v2 | |
| - name: Install packages (ubuntu) | |
| if: contains(matrix.os,'ubuntu') | |
| run: | | |
| sudo add-apt-repository ppa:ubuntu-toolchain-r/test | |
| sudo apt-get update | |
| sudo apt-get install -y gcc gfortran | |
| # - name: Install packages (macOS) | |
| # if: contains(matrix.os,'macos') | |
| # run: | | |
| # brew install gcc || brew upgrade gcc || true | |
| - name: Build | |
| run: | | |
| cmake -Bbuild -DCMAKE_BUILD_TYPE=Debug -DCMAKE_C_COMPILER=gcc -DCMAKE_Fortran_COMPILER=gfortran | |
| cmake --build build/ --target all | |