FixSymmetry hotfix

Minor updates/bug fix

• new ASE module for FixSymmetry (optimize)
• wfl eval ... optional Calculator constructor kwargs
• auto-stage foundation_model files in remote job mace fit
• MD abort test AbortOnLowEnergy for detecting MLIP holes
• CI test on python 3.9

NEB and improved group iterator

Add autoaparallelized NEB (i.e. autoparallelize multiple NEBs, not calculation of multiple images in a single NEB), together with improved ConfigSet.groups() iterator and passing it as the input iterable.

Misc other fixes (see README.md changelog and git history)

better random number handling

Require caller to explicitly pass random number generator to all wfl operations that use it, to help make scripts more reproducible and reduce possibility of interrupted script rerun failing to recognize existing queued jobs because random seed has changed.

Note: breaks backward compatibility because many operations now require passing a random number generator explicitly. See new
top level README.md.

initial release

Initial release version, essentially as documented in https://doi.org/10.1063/5.0156845