undefined calc in multi-head-finetune branch run_train.py

[bernstei]

In the multi-head-finetune branch, mace/cli/run_train.py line 432

mace/mace/cli/run_train.py

Line 432 in f5ab9c5

if args.model == "MACE" and calc.models[0].__class__.__name__ == "MACE":

refers to a variable calc, but there are many code paths (various nested ifs around

mace/mace/cli/run_train.py

Line 93 in f5ab9c5

calc = mace_mp(

) that don't define it

[bernstei]

I can work around it by checking if calc was defined as part of the test on line 432, but since I'm not sure why you added that test to the if statement, I don't know if that's actually correct.