mdjones0/software-layer

CCR Software Layer

CCR Software Layer

This is the CCR software layer.

NOTE: these docs are currently very much a WIP

About

All software at CCR is built using easybuild, available via modules using Lmod, and distributed using CernVM-FS. This repository contains scripts to help build software with easybuild using containers. To ensure all software runs on any compute node regardless of the underlying Linux distro, we use Gentoo Prefix as the compatibility layer. For more information on CCR's compatibility layer see our gentoo-overlay.

Building Software

Software at CCR is distributed via CernVM-FS, a read-only file system designed to deliver scientific software. CCR's workflow for building new software uses singularity containers with a writable overlay on top of the CCR CernVM-FS repository. Any physical compute node can be used to run the container and build software.

Quick start

# Clone repo and start container
user@host$ git clone https://github.com/ubccr/software-layer.git
user@host$ cd software-layer
user@host$ ./start-container.sh /scratch/username_somepackage

# Inside load easybuild module and run easybuild
user@container$ module load easybuild

# Show easybuild config
user@container$ eb --show-config

# Search for package showing short names
user@container$ eb -S OpenMPI

# Search for package showing full path to eb file
user@container$ eb --search OpenMPI

# Show the deps that will be built without actually building
user@container$ eb OpenBLAS-0.3.9-GCC-9.3.0.eb -M

# Build package and all deps
user@container$ eb OpenBLAS-0.3.9-GCC-9.3.0.eb --robot

user@container$ module load openblas
user@container$ exit

# Exit container and create tarball for ingestion into CernVM-FS
user@host$ ./create-tarball.sh easybuild /scratch/username_somepackage
user@host$ cp /scratch/ccr-xxx-easybuild-user_somepackage-xxx.tar.gz /path/to/mirrors 

Workflow in detail

1. Clone this repo (or clone your own fork if you plan on submitting PRs):

$ git clone https://github.com/ubccr/software-layer.git
$ cd software-layer

2. Start a singularity container. We use the helper script start-container.sh which takes a single argument: the path to a working directory where the writable-overlay will write your files. This should be somewhere in /scratch. It's recommended to follow a basic naming convention, for example if your building OpenMPI, then use /scratch/username_OpenMPI.

$ ./start-container.sh /scratch/username_somepackage

NOTE: The first time you run this command it may fetch the build-node docker image from docker hub, convert it to singularity sif format, then start the container.

3. After the container starts you have a shell with the current directory (this software-layer git repo where you ran the start-container.sh script) bind mounted into /srv/software-layer inside the container. So cd into this directory:

$ cd /srv/software-layer

4. Ensure you enviroment is setup:

# This should now show the latest software modules
$ module avail

NOTE: You can make changes to the config/init scripts and test them inside the container. Then commit and submit a PR's etc.

5. Load the easybuild module:

$ module load easybuild

6. Build software, test software:

$ eb OpenBLAS-0.3.9-GCC-9.3.0.eb --robot
[grab a cup of coffee]
...
[hours later]
..
$ module load openblas
$ exit

7. Once you exit the container terminated and any easybuild files (modules, software) that were written to /cvmfs were captured in your workdir in a directory named overlay-upper. We can now run a script to tar up these files for eventual importing into the CCR cvmfs repo. The tarball will be created with the following naming convention:

 ccr-<version>-{compat,easybuild}-[some tag]-<timestamp>.tar.gz

To create a tarball after building software with easybuild run:

$ ./create-tarball.sh easybuild /scratch/username_somepackage

8. Copy the resulting tarball to mirrors so that others can test out your work before publishing to our production CernVM-FS stratum0 server.

See Also

The config files and scripts in this repo were heavily adopted from EESSI and Compute Canada. You can check out their configs here:

• https://github.com/EESSI/software-layer
• https://github.com/ComputeCanada/easybuild-computecanada-config

License

The software in this repository is distributed under the terms of the GNU General Public License v2.0. See the LICENSE file.