isabella232 / software

Docker image for Glotzer Lab software

Glotzerlab software

glotzerlab-software is a set of container images that provide software developed by the Glotzer group at the University of Michigan along with related software commonly used in simulation and data analysis workflows.

Resources

• Documentation: Tutorial, usage information, and list of supported clusters.
• hoomd-users Google Group: Get support from the user community.
• glotzerlab/software on Docker Hub: See the list of published images.

Quick start

First, download the stable glotzerlab/software image using Singularity:

$ singularity pull software.sif docker://glotzerlab/software

Or the beta (with HOOMD v3.0.0-beta):

$ singularity pull software.sif docker://glotzerlab/software:beta-nompi

singularity exec executes software from inside the container. For example, run a Python script with:

$ singularity exec software.sif python3 script.py

Add the --nv option to enable NVIDIA GPUs inside the container:

$ singularity exec --nv software.sif nvidia-smi

Updates

glotzerlab-software updates regularly with the latest versions of included software. Download the latest image to update:

$ singularity pull software.sif docker://glotzerlab/software

Change log

See CHANGELOG.rst.

Contributing

Contributions are welcomed via pull requests. Please report bugs and suggest feature enhancements via the issue tracker. See ARCHITECTURE.md for information on how the repository is structured, including how to modify the containers.