Introduction to software containers
Application in scientific practice
Docker and Singularity
ELIXIR meeting
DevOps
- Software Engineering Culture
- Software Development + Software Operations
- Automate and monitor
DevOps
Containers
Virtualisation
- Abstraction of physical hardware
- Depends on hypervisor (software)
- Do not confuse with hardware emulator
-
Enable virtual machines
- Every virtual machine with an Operating System
Containerisation
aka Lightweight virtualisation
- Abstraction of application layer
- Depends on host kernel (Operating System)
- Application and dependencies bundled all together
Virtual machines vs containers
Virtualisation
Pros and Cons
- PRO: Very similar to a full OS
- PRO: With current solutions, high OS diversity
- CON: Need of more space and resources
- CON: Slower than containers
- CON: Not as good automating
Containerisation
Pros and Cons
- PRO: Faster
- PRO: No need of full OS installation. Less space.
- PRO: Current solutions allow easier distribution of recipes. More portability
- PRO: Easier automation
- CON: Some cases might not be exactly the same as a full OS
- CON: With current solutions, still less OS diversity
History of containers
chroot
- chroot jail (BSD jail) - First concept 1979
- Notable use in SSH and FTP servers
- Honeypot, recovery of systems, etc.
Additions in Linux kernel
-
cgroups (control groups), before 'process containers'
- isolates resource usage (CPU, memory, disk I/O, network, etc.) of a collection of processes
-
Linux namespaces
- one set of kernel resources restrict to one set of processes
Additions in Linux kernel
Docker
Docker
- Platform for developing, shipping, and running applications
- Infrastructure as application/code
- Established Open Container Initiative
As a software:
- Docker Community Edition
- Docker Enterprise Edition
Docker architecture
Docker image
- Read-only templates.
- Containers are run from them
- Images are not run
- Images have several layers
Docker image - Building
-
Can be built from existing base images
- E.g. : Ubuntu, Apache
- Any modification from a base image is a new layer
-
Base images can be generated with tools such as Debootstrap
- Reminds of creation of a bootable (USB) Image
Docker image - Instructions
-
Recipe file:
-
Dockerfile
-
- Instructions
- Every instruction generates an image layer
- FROM: use a base image (notice tag)
- ADD, COPY: add files to image filesystem
- RUN: execute command in image
- ENV, ARG: Run and build environment variables
- CMD, ENTRYPOINT: Command to execute when generated container starts
Docker image - Instructions
- Instructions
- USER: User to run a following process (fallback: root)
- WORKDIR: Location where following processes will be executed
- VOLUME: Definition of mounting point (with host)
- EXPOSE: Ports to be accessible from the container
Docker container
- Generated from an image (template)
- Image: read-only
- Container: read-write
- Can be converted into image
-
docker commit
-
- 1 imatge -> n diverse containers
- Diversity:
- Volumes / Mounting points
- Different data or configs
- Different exposed ports
- Volumes / Mounting points
- Diversity:
Run container
$ docker run biocorecrg/c4lwg-2018 /bin/echo "Hello world!"Run container as daemon
$ docker run -d --name mycontainer biocorecrg/c4lwg-2018 /bin/sh -c "while true; do echo hello world; sleep 1; done"$ docker psRun daemon
List runninng containers
Log and info of container
$ docker log mycontainer
$ docker inspect mycontainerActions on containers
$ docker stop mycontainer
$ docker start mycontainer
$ docker restart mycontainerMore running on container
$ docker exec mycontainer /bin/echo "Bye, moon!"$ docker run -ti mycontainer2 /bin/bashExecute on a running container
Run a container interactively (from the beginning). Stops when exiting
$ docker exec -ti mycontainer /bin/bashExecute on a running container interactively
Other Docker commands
$ docker rm mycontainer
$ docker rmi myimage$ docker ps -aremove container, remove image
list all containers (even stopped ones)
Docker registry and
Docker hub
- Images are stored locally
- They can also be shared in a registry
- Main Public one: Docker hub
Examples:
Biocontainers
Repository of bioinformatics containers
Docker registry commands
$ docker pull biocorecrg/debian-perlbrew:stretch$ docker push myusername/mysexyimagedownload image
upload image
Singularity
containers for HPC
Singularity vs Docker
- Docker -> Microservices
- Singularity -> HPC
Summarising
Singularity architecture
Singularity - Strenghts
- No dependency of a daemon
- Can be run as a simple user
- Image/container is a file (or directory)
- More easily portable
- Two type of images
- Read-only (production)
- Writable (development)
Singularity - build
As of 2.4.x version
For local Docker images: https://github.com/singularityware/docker2singularity
Singularity recipes
BootStrap: docker
From: biocorecrg/c4lwg-2018
%runscript
echo "Welcome to C4LWG-2018 Singularity Image"
%post
echo "C4LWG-2018 image built"Singularity recipes
BootStrap: debootstrap
OSVersion: xenial
MirrorURL: http://fr.archive.ubuntu.com/ubuntu/
Include: build-essential curl python python-dev openjdk-8-jdk bzip2 zip unzip
%runscript
echo "Welcome to Ubuntu C4LWG-2018 Singularity Image"
%post
FASTQC_VERSION=0.11.5
MULTIQC_VERSION=1.7
BOWTIE_VERSION=1.2.1.1
cd /usr/local; curl -k -L https://www.bioinformatics.babraham.ac.uk/projects/fastqc/fastqc_v${FASTQC_VERSION}.zip > fastqc.zip
cd /usr/local; unzip fastqc.zip; rm fastqc.zip; chmod 775 FastQC/fastqc; ln -s /usr/local/FastQC/fastqc /usr/local/bin/fastqc
cd /usr/local; curl --fail --silent --show-error --location --remote-name https://github.com/BenLangmead/bowtie/releases/download/v$BOWTIE_VERSION/bowtie-${BOWTIE_VERSION}-linux-x86_64.zip
cd /usr/local; unzip -d /usr/local bowtie-${BOWTIE_VERSION}-linux-x86_64.zip
cd /usr/local; rm bowtie-${BOWTIE_VERSION}-linux-x86_64.zip
cd /usr/local/bin; ln -s ../bowtie-${BOWTIE_VERSION}/bowtie* .
curl --fail --silent --show-error --location --remote-name https://bootstrap.pypa.io/get-pip.py
python get-pip.py
pip install numpy matplotlib
pip install -I multiqc==${MULTIQC_VERSION}
echo "C4LWG-2018 image built"
%labels
Maintainer Biocorecrg
Version 0.1.0Singularity - Weaknesses
-
At the time of writing only good support in Linux
- Not a big deal in HPC environments, though
- Upcoming limited functionality in Mac OS X
- For some uses you need root account (or sudo)
Singularity - build
$ singularity build c4lwg-2018.simg docker://biocorecrg/c4lwg-2018$ sudo singularity build --writable c4lwg-2018.img docker://biocorecrg/c4lwg-2018Build read-only image from Docker (Squash FS)
Build writable image from Docker (ext3 FS)
Build from recipe
$ sudo singularity build c4lwg-2018.xenial.simg Singularity.xenialSingularity - run
$ singularity exec c4lwg-2018.simg /bin/echo 'Hello world'$ singularity exec -e c4lwg-2018.simg /bin/echo 'Hello world'Execute a command
Execute a command (with clean environment)
Execute a shell
$ singularity shell c4lwg-2018.simg$ singularity run c4lwg-2018.simgExecute defined runscript (parameters can be used)
Further reading
Sum-up:
containers in science
- Mantainability
- Portability
- Reproducibility
Play!
Introduction to containers in scientific practice. Docker and Singularity
By Similis.cc
Introduction to containers in scientific practice. Docker and Singularity
This hands-on presentation shows what containers are, two technological implementations (Docker and Singularity) and their rellevance in scientific practice.
