Running SU2 in parallel within a singularity container

[vansloot]

Dear Developers,

I have been trying to run the "Constrained shape design of a transonic inviscid wing at a cte. CL" tutorial but am having issues in installing SU2 properly. I realize that the SU2 tools necessary for this tutorial are not included with the binary executables and I have been working on properly configuring and building SU2 to have the necessary tools and to run in parallel by following the compilation guide. Unfortunately, I have yet to install a working parallel version to run this tutorial.

A solution to avoiding some of these installation issues would be to set up this environment within a singularity container. I found a singularity container definition for an old version of SU2 in #738 and modified the su2.def file to read:

Bootstrap: docker
From: ubuntu:19.04

%post
apt-get -y update
apt-get -y install python3 git build-essential autoconf python-dev libopenmpi3 openmpi-common
git clone --depth=1 https://github.com/su2code/SU2
cd SU2
./meson.py build -Denable-autodiff=true -Denable-directdiff=true --prefix=$PWD
./ninja -C build install

%runscript
exec /SU2/bin/$1 $2

This code raises the following error after running

FATAL: Unable to build from su2.def: while parsing definition: su2.def: invalid selection(s) specified:

I understand this is an issue stemming from singularity and how I defined the definition file, but I was wondering if there was any supported singularity container for running SU2 that supports AD and parallel computing?

Best