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README.md

cpl-library Build Status

www.cpl-library.org

CPL Library is a communications and topology management system for coupling any continuum fluid dynamics (CFD) solver to any molecular dynamics (MD) code written in either Python, C, C++ or Fortran. For more details about the philosophy, range of validity and aims of this software, please see the wikki page and our dedicated website www.cpl-library.org A demonstration of CPL Library's capability is included in the "demo" folder. Inside the demo, "dummy" MD and CFD programs are coupled via CPL Library and exchange data on a virtual topology. The user is encouraged to examine the source code of these programs, which are an easy-to-understand example of how to couple other programs with CPL Library.

Contents

  1. Pre-requisites for compilation
  2. Install
    a) Compiling the library
    b) Compiling and running the demo programs
  3. License

1 ) Pre-requisites for compilation

  • A C++11 compiler
  • A Fortran 2008 compiler
  • An MPI library

CPL Library was developed and tested using the GCC compiler collection and MPICH, which are both free and open-source.

2 ) Install

a) Compiling the library

Compiling CPL Library with GCC, as a shared library, is likely to work with the makefile provided in the top level directory:

$  cd /PATH/TO/cpl-library
$  make 

If this doesn't work, the compilers and flags may need to be specified manually. The makefiles provided with CPL Library import flags and variables from the make/[platform].inc, where the variable [platform] is specified by the file make/PLATFORM. A number of template are provided in make, and the file make/PLATFORM contains the string "gcc" by default to use make/gcc.inc. The GCC template is likely to work for most machines, but the user may create their own version. For example, to create make/user-include.inc:

$  cd ./make
$  cp gcc.inc user-include.inc
$  vi user-include.inc                  (make any necessary changes)
$  cd ../
$  make PLATFORM=user-include

b) Building the demo applications

Please see:

www.cpl-library.org/user-guide/quick-start.shtml

3 ) License

CPL Library is released under the GNU GPL v3 license. Details are found in the file LICENSE that is included with the release.