Conda packages

glotzerlab-software provides conda formatted packages built with cluster-specific MPI and CUDA libraries. Use it to add MPI- and GPU-enabled builds of the following software packages to your conda-compatible environments on HPC resources:

• hoomd

• mpi4py

Important

These packages are built for ABI compatibility with packages on the conda-forge channel. Ensure that you have no packages installed from the default channel before proceeding.

Tip

miniforge provides a conda-compatible environment pre-configured to install packages only from conda-forge. When you install miniforge with default options, replace:

• {{ package-manager }} with mamba

• {{ environment-path }} with $HOME/miniforge3

Danger

Do not install any MPI or GPU enabled packages from the conda-forge channel. The generic MPI and CUDA libraries provided by conda-forge will take precedence and prevent the cluster-specific libraries from operating correctly.

• Glotzer lab members
• Building packages
• Installing packages