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Getting Started with HPC Container Maker

Installation

HPCCM can be installed from PyPi or Conda.

$ sudo pip install hpccm

$ conda install -c conda-forge hpccm

Using HPCCM

HPCCM can be used as a Python module or via the hpccm command line interface.

Python Module

The HPCCM Python module is a set of routines to generate container specification files.

#!/usr/bin/env python

import hpccm

# Set to 'docker' to generate a Dockerfile or set to 'singularity' to
# generate a Singularity definition file
hpccm.config.set_container_format('docker')

print(hpccm.primitives.baseimage(image='centos:7'))
print(hpccm.building_blocks.gnu())

The Python module provides the most flexibility, but you are responsible for managing input and output.

Command Line Tool

The hpccm command line tool processes HPCCM recipe files to generate container specification files.

Stage0 += baseimage(image='centos:7')
Stage0 += gnu()

The command line tool manages input and output for you.

$ hpccm --recipe <recipe_file> --format docker

$ hpccm --recipe <recipe_file> --format singularity

HPCCM recipes are Python scripts, so you can incorporate Python code in the recipe.

Building Container Images

The HPCCM output is the container specification, so save the output to a file. By convention, the container specification files are named Dockerfile or Singularity.def for Docker and Singularity, respectively. To generate a container image, use your preferred container image builder.

Using Docker:

$ hpccm --recipe <recipe.py> --format docker > Dockerfile
$ sudo docker build -t <tag> -f Dockerfile .

Using Singularity:

$ hpccm --recipe <recipe.py> --format singularity > Singularity.def
$ sudo singularity build <image_file.sif> Singularity.def

Other container builders that understand Dockerfiles or Singularity definition files may also be used.

A bash script can also be generated from a recipe:

$ hpccm --recipe <recipe.py> --format bash > script.sh

Next Steps

Go through the tutorial for some more in depth examples.

A few simple examples are included to illustrate some of the basic concepts.

Several example recipes are also included.

The "hpcbase" recipes provide representative HPC development environments including a compiler, MPI library, and common HPC libraries. These recipes are a great starting point for building an HPC application container. Choose the recipe with the compiler / MPI library combination that best matches the application requirements and add the application specific build instructions.

A few complete application examples are also provided, including GROMACS, MILC, and MPI Bandwidth.

Read the rest of the documentation for more information on creating recipes, customizing building block behavior, the API reference, and more.