search

libAtoms / ExPyRe

Execute Python Remotely
GNU General Public License v2.0
4 stars 3 forks source link

changing handling of shells #34

Closed bernstei closed 8 months ago

bernstei commented 8 months ago

Get rid of "bash -l" by default everywhere, since it seems to be more problematic than helpful.

Allow config file to control executable in first line of shell script (now just /usr/bin/bash by default), so they can add -l flag if that works.

Allow config file to add commands that are run in the (remote) process that submits the queued job, to, for example, fix the environment (since ssh to remote machine will do things like wipe PYTHONPATH, but some machines make it difficult to restore it once you're already in the running job, by making it hard to re-initialize environment modules in that state - they want to inherit it from the submitting process.)

bernstei commented 8 months ago

Maybe this is just indicating that the current level of control/templating is wrong, and we should be doing this an entirely different way, e.g. jinja.

bernstei commented 8 months ago

Complete test of workflow using this version passed, assuming it's OK.