👌 IMPROVE: Avoid using sed to add $HQ_CPUS

[mbercx]

To avoid the current bash escaping that adds single quotes around every command and argument, I added a bit of hacky sed logic:

aiida-hyperqueue/aiida_hyperqueue/scheduler.py

Lines 150 to 153 in 3f38f17

	submit_command = (
	f"chmod 774 {submit_script}; options=$(grep '#HQ' {submit_script});"
	f"sed -i s/\\'srun\\'/srun\ --cpu-bind=map_cpu:\$HQ_CPUS/ {submit_script};"
	f'hq submit ${{options:3}} ./{submit_script}')

If/when it's possible to avoid the single quotes around all items in the srun line, we can e.g. simply add this to the srun command of the computer setup.

However, we should probably not add this option at all when running on multiple nodes. I haven't tested this so far.

[giovannipizzi]

Indeed - in addition, other computers might use mpirun instead of srun.
The --cpu-bind=... part should be part of the mpirun command when we setup the computer (once the issue of escaping is fixed).
Also, for now (see It4innovations/hyperqueue#243 (comment)) we should expect for now that we run only single-node jobs with HQ. When HQ will support it, we can change the plugin accordingly.

[giovannipizzi]

If my suggestion in this issue is accepted, we can also drop the chmod part. Otherwise, we should probably have AiiDA do it by default?