azplugins

azplugins is a component (plugin) for HOOMD-blue which expands its functionality for tackling a variety of problems in soft matter physics. Currently, azplugins is tested against v2.6.0 of HOOMD-blue. See CHANGELOG.rst for a list of recent development. If you are interested in adding new code, please refer to the guidelines.

Compiling azplugins

azplugins can be built using either of the standard plugin build methods. To build azplugins internally to HOOMD-blue, add a symlink to the code into the hoomd-blue/hoomd:

cd hoomd-blue/hoomd
ln -s /path/to/azplugins/azplugins azplugins
cd ../build && make install

azplugins is now available as a component of HOOMD-blue:

import hoomd
from hoomd import azplugins

To build azplugins externally to HOOMD-blue, ensure that the hoomd module is on your Python path (or hint to its location using HOOMD_ROOT), and install to an appropriate location:

cd /path/to/azplugins
mkdir build && cd build
cmake ..
make install

You must make sure that your installation location is on your PYTHONPATH, and then azplugins can be imported as usual

import hoomd
import azplugins

Prerequisites

azplugins requires the same dependencies used to build HOOMD-blue. Typically, this means a modern Python installation with numpy, a reasonably recent version of CMake, and a C++11 capable compiler. To get good performance, you probably also want a recent CUDA toolkit and an MPI library.

Testing

All code is unittested at the Python level. If azplugins has been built as an internal HOOMD-blue component, it is automatically included into the testing tree. To run only the azplugins tests out of your build directory, use ctest:

ctest -R azplugins-*

If azplugins has been built as an external Python package, all CTest options are available to you. To run all tests out of your build directory,

make test

History

azplugins began as a collection of code shared between students and postdocs at Princeton University (2016-2018). It is named for their research advisor, Prof. Athanassios (Thanos) Z. Panagiotopoulos, whose group has made several contributions to HOOMD-blue and frequently uses it in their work.