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Compiling QuickVina-W

  1. Please make sure you have BOOST 1.60 at least installed

  2. Using git, clone the code:

    git clone https://github.com/QVina/qvina.git

  3. Checkout the qvina-w branch:

    cd qvina
git checkout qvina-w

  4. If you installed boost in your home directory then edit the first two lines of Makefile:

    BASE = /Your/boost/location
BOOST_VERSION=1_60 #or your installed version

  5. If you are using MacOS, edit the 4th line of the Makefile:

    C_PLATFORM=-static -pthread

    to be

    C_PLATFORM= -pthread

  6. Build the application:

    In normal situations, it is enough to build QuickVina-W using the default configuration (parallel). just write:

    make

    You will find an executable file called qvina-w in the current folder.

    =================

    However, if you are running QuickVina-W on a single core, it would be more time efficient to build QuickVina-W for serial running. in such case you should write:

    make serial

    You will find an executable file called qvina-w_serial in the current folder.