Extending HOOMD-blue#

Extend HOOMD-blue with a component implemented in C++ for performance-critical tasks, such as pair potential evaluation.

Creating a component#

The hoomd-component-template repository provides a starting point for your component. It includes template C++ and Python modules, an example unit test, CMake scripts to build the component, and GitHub Actions workflows.

The HOOMD-Blue source provides example component templates in the example_plugins subdirectory.

Building an external component#

To build an external component:

  1. Build and install HOOMD-blue from source.

  2. Obtain the component’s source:

    $ git clone https://github.com/<organization>/<component>

  3. Configure:

    $ cmake -B build/<component> -S <component>

  4. Build the component:

    $ cmake --build build/<component>

  5. Install the component:

    $ cmake --install build/<component>

Once installed, the component is available for import via:

import hoomd.<component>

Note

Replace <organization> and <component> with the names of the organization and repository of the component you would like to build.