HOOMD-blue binaries are available in the glotzerlab-software Docker/Singularity images and in packages on conda-forge
Singularity / Docker images#
See the glotzerlab-software documentation for instructions to install and use the containers on supported HPC clusters.
HOOMD-blue is available on conda-forge on the linux-64, osx-64, and osx-arm64 platforms.
hoomd package from the conda-forge channel into a conda environment:
$ conda install -c conda-forge hoomd
Recent versions of
conda auto-detect whether your system has a GPU and installs the appropriate
package. Override this and force GPU package installation with:
$ conda install -c conda-forge "hoomd=*=*gpu*"
To use Run time compilation on macOS, install the
$ conda install -c conda-forge compilers
Without this package you will get file not found errors when HOOMD-blue performs the run time compilation.
Use mambaforge, miniforge or miniconda instead of the full Anaconda distribution to avoid package conflicts with conda-forge packages.