The name here doesn't mean much, but this repo is essentially a collection of ready-to-go scripts and utilities for running simulations using HOOMDv3. Research workflows that depend strictly upon this repository can be found in the workflows directory. The workflow manager used here is Snakemake.
- conda >= 4.10
- direnv >= 2.25
- pybind11 >= 2.2
- Eigen >= 3.2
- CMake >= 3.9
We use direnv to automatically configure the environment of the project. With it installed, cd'ing into the project root will create/activate a local python environment that we will use to build HOOMD and run our analyses.
To build HOOMD and any plugins, run the included build scripts
./build-base-hoomd.sh
./build-hoomd-plugins.sh