• Git
  • CMake >= 3.1.x
  • Python 2.7
  • Perl (ActivePerl)
  • Visual Studio 2013 or 2015 Community Edition

Build ball_contrib

The ball_contrib repository builds required third party dependencies of BALL.
The following steps assume that you have added cmake, git, and MSbuild executable folders to your PATH variable:

> git clone
> git checkout
> cd ball_contrib
> md build
> cd build
> cmake .. -G "Visual Studio 12 Win64"
> msbuild /p:Configuration=Release /p:Platform=x64 BALL_contrib.sln

Build BALL

The following steps build the BALL project using the ball_contrib package from the preceding step:

# Binary folder of ball_contrib build has to added to PATH
> set PATH=<path_to_contrib>\build\install\bin;<path_to_contrib>\build\install\lib;%PATH%
# Now start over with BALL
> git clone
> cd ball
> md build
> cd build
> cmake .. -G "Visual Studio 12 Win64" -DBALL_CONTRIB_PATH=<path_to_ball_contrib>/build/install
> msbuild /p:Configuration=Release /p:Platform=x64 BALL.sln

Set up environment

> set BALL_DATA_PATH=<path_to_ball_dir>\data
> set PATH=<path_to_ball_contrib>\build\install\lib;<path_to_ball>\build\bin\Release;%PATH%
> set PYTHONPATH=<path_to_ball>\build\bin\Release;%PYTHONPATH%

Build and run unit tests (optional)

In order to test if the build was successful you can use the unit tests.
Assuming you're still in the build folder you have to do the following (after setting the environment variables described above):

> msbuild /p:Configuration=Release /p:Platform=x64 build_tests 
> ctest

Currently, the following tests may fail. Please don't report this in our issue tracker:

  • AmberFF_test
  • AssigneBondOrderProcessor_test2