Manage the build of your container images using Spack!
To use the extension clone this repository in a folder of your choice:
$ cd /home/user/.spack/extensions
$ git clone https://github.com/alalazo/spack-container.gitThen add that folder to Spack's config.yaml:
config:
extensions:
- /home/user/.spack/extensions/spack-containerAt this point you're ready to go! You should be able to find the new command that the extension provides and check its help:
$ spack containerize -h
usage: spack containerize [-h] [--config CONFIG]
creates recipes to build images for different container runtimes
optional arguments:
-h, --help show this help message and exit
--config CONFIG configuration for the container recipe that will be generatedIf you want to generate a recipe in e.g. a Dockerfile
format all you need to do is point the command to the YAML
file that contains all the information needed:
$ spack containerize --config=$HOME/docker/gromacs/containerize.yamlThe output of the command should look like:
# Build stage with Spack pre-installed and ready to be used
FROM spack/ubuntu-bionic:prerelease as builder
# What we want to install and how we want to install it
# is specified in a manifest file (spack.yaml)
RUN mkdir /opt/spack-environment \
&& (echo "spack:" \
&& echo " specs:" \
&& echo " - gromacs build_type=Release" \
&& echo " - mpich" \
&& echo " - fftw precision=float" \
&& echo " packages:" \
&& echo " all:" \
&& echo " target:" \
&& echo " - broadwell" \
&& echo " config:" \
&& echo " install_tree: /opt/software" \
&& echo " concretization: together" \
&& echo " view: /opt/view") > /opt/spack-environment/spack.yaml
# Install the software, remove unecessary deps and strip executables
RUN cd /opt/spack-environment && spack install && spack autoremove -y
RUN cd /opt/view/bin && strip -s * || exit 0
RUN cd /opt/view/lib && strip -s * || exit 0
# Modifications to the environment that are necessary to run
RUN cd /opt/spack-environment && \
spack env activate --sh -d . >> /etc/profile.d/z10_spack_environment.sh
# Bare OS image to run the installed executables
FROM ubuntu:18.04
COPY --from=builder /opt/spack-environment /opt/spack-environment
COPY --from=builder /opt/software /opt/software
COPY --from=builder /opt/view /opt/view
COPY --from=builder /etc/profile.d/z10_spack_environment.sh /etc/profile.d/z10_spack_environment.sh
RUN apt-get -yqq update && apt-get -yqq upgrade \
&& apt-get -yqq install libgomp1 \
&& rm -rf /var/lib/apt/lists/*
ENTRYPOINT ["/bin/bash", "--rcfile", "/etc/profile", "-l"]The command currently provided takes as input a YAML configuration file. Its format is currently experimental and might change drastically. As an example you can check out the following:
spack:
specs:
- gromacs build_type=Release
- mpich
- fftw precision=float
packages:
all:
target: [broadwell]
container:
# Select the format of the recipe e.g. docker,
# singularity or anything else that is currently supported
format: docker
# Select from a valid list of images
base:
image: "ubuntu:18.04"
spack: prerelease
# Additional system packages that are needed at runtime
packages:
- libgomp1
# Custom environment modifications for the runtime. These are on
# top of those prescribed by package recipes.
environment:
- action: append_path
var: PATH
value: /opt/view/bin
- action: append_path
var: LD_LIBRARY_PATH
value: /opt/view/lib
- action: unset
var: LIBRARY_PATH
labels:
author: "Massimiliano Culpo"
target: "broadwell"
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