Mkphuthi/decorator based flow

[mkphuthi]

Tons of changes. Will update after meeting. Pushing just in case you want to look at it before/during the meeting

[mkphuthi]

Note: This branch is based on main but incorporates most of the things from @emilannevelink's dependency branch. Very rough right now. No docs/type hints and lots of old files. Will clean up after writing tests and if we decide to move forward with this implementation

** Breaking changes

• Replaced calc loader with a generic loader for all ASE calculators so this is programatically handled. Only calculators external to ASE need calc loaders to be written
• calc_input changed to config_input (not everywhere yet. Need to follow-up). Idea is that config can have multiple calc settings so that a job with multiple parts can run on different configs
• leaf and branch decorators: These decorators wrap functions imported from scripts and handle going to the correct directory, updating job status and providing correct calc_input to the script. Advantage is that script authors don't have to deal with these things inside their scripts
• Added DIstributedJob object that automatically knows how to distribute jobs as arrays, in series or as individual jobs depending on specified context
• Added ChainedJob object that automatically knows how to run jobs one after the other in any context. I think there is still a slight bug that needs to be solved for making sure jobs are linked properly if a job submits a job that internally submits another job
• Added image_array.py which runs the same arbitrary script on multiple images, distributed.py which runs multiple arbitrary scripts at the same time, chained.py which runs arbitrary scripts one after the other.
• Updated singlepoint, eos to work. eos workflow is now an example of "compound workflow" with multiple modular scripts. These are now put in specific folders and called as eos.eos.
• Added helper functions for load jobs and output/input files. These helpers must eventually be replaced by something that accesses these files directly from a job object.

[mkphuthi]

Note: psquared, lammps.py are broken