Singularity image

[goord]

Adopt a working Dales+OMUSE singularity recipe in OMUSE/dales, push the image to singularity hub and document this in the paper and the documentation.

[fjansson]

Updated the Singularity recipe in dales-omuse-examples repo. It now works with the current OMUSE, and installs AMUSE through pip.

TODO:

• pin versions of AMUSE, OMUSE, DALES (our fork - need to tag a version also there for release)
• decide on compiling many OMUSE codes or just DALES. Currently compiling all the working ones.
• try switching to Python 3 for future-proofing

Currently the following OMUSE codes work in the image:

• dales
  • cdo
  • qgcm (hogg2006,ocean_only,hogg2006_20km)
  • qgmodel
  • swan

The image may thus work as a general OMUSE example, not just for the DALES interface.

Codes not working:

• adcirc "make sure the (unpatched) ADCIRC source is in ../adcirc/adcirc_v51_52_07"
• oifs requires password, also grib_api missing in this recipe
• pop doesn't find netCDF

The pop error could be fixable, the other two probably not.

[fjansson]

The Singularity image is now added to OMUSE, along with a minimal description in the documentation.

ToDo:

• examples should be visible inside the image, in particular the Dales bubble notebook
• pin AMUSE, OMUSE versions
• put the image on Singularity hub (?)
• add something about usage, example notebooks to the documentation