Supporting Software

  1. Supporting Software
    1. Downloading / Building
        1. Subversion - version control system
        2. CMake
    2. Python/Java/etc. Wrappers
        1. SWIG
        2. Python
    3. Enhancements
        1. MPI - Parallel Computing API
        2. LAMMPS - Molecular Simulation Package
        3. Boost Libraries
        4. Open Babel
    4. Visualization
        1. Visual Molecular Dynamics
        2. VTK

Glotzilla makes use of some supporting software / libraries that may or may not be installed on your machine. Some links are listed below.

Downloading / Building

The following programs/libraries are required to download and compile the Glotzilla source code.

Subversion - version control system

Glotzilla uses subversion software for version control. You must install subversion in order to download the code.

CMake

CMake is a cross-platform compilation system that generates makefiles for glotzilla.

* Get CMake

Python/Java/etc. Wrappers

The following programs/libraries are required to use Glotzilla outside of C++.

SWIG

SWIG (Simplified Wrapper and Interface Generator) must be installed to generate Glotzilla libraries in Python/Java, etc. * Get SWIG

Python

Python is a simple scripting-oriented programming language that lets programmers use Glotzilla interactively.

Enhancements

The following programs/libraries enhance the functionality of Glotzilla and make it more powerful.

MPI - Parallel Computing API

The MPI libaries make it easy to write parallel codes using a straightforward API. MPI is required for Glotzilla to run in parallel. Any of the libaries listed below should work, but we use LAM MPI.

LAMMPS - Molecular Simulation Package

The Glotzilla API can use LAMMPS as an engine for running simulations. To enable this functionality, users must built LAMMPS as a library and specify the appropriate library and include paths at compile time. A link to the LAMMPS source code from Sandia National Labs can be found at in this section.

To simply Glotzilla-LAMMPS integration, we supply a LAMMPS source that includes both an XCode project and a Makefile that automatically generates the library. The download link can be found at the bottom of this page.

Boost Libraries

Boost is a collection of C++ libraries that are configured to interact well with STL. Glotzilla uses boost for a variety of purposes, including random number generators and BLAS linear algebra functions. Glotzilla expects boost headers to live in "include/boost/*".

Open Babel

Glotzilla uses Open Babel to read, write and convert standard data formats. Glotzilla expects open babel headers to live in "include/babel/*".

Visualization

Visual Molecular Dynamics

Glotzilla can use Visual Molecular Dynamics (VMD) as a visualization engine. The advantage here is that VMD is a standalone application, so it does not need to be compiled with Glotzilla in order to use it.

VTK

Glotzilla can use VTK (Visualization Toolkit) as a visualization engine. The advantage here is that VTK is built into the Glotzilla source, so it is very powerful and flexible.

Attachments