wip: set up exploremod for explore running; set default for --queue
misc/lockfile.py: dummy out timeout; inputCif.py: vasp.has_nlep = True
Add testValidProgram to switch from pyladaExec.sh to execMimic.py for testing, and use qsub_exe=/bin/bash
testValidProgram works.

It requires file pylada.test.spec.json to be in an ancestor
of the reference and work dirs.  Sample file:
{
  "absEpsilon":   "1.e-6",
  "relEpsilon":   "1.e-6",
  "refRoot":      ".../icsd_633029.reference",
  "workRoot":     ".../icsd_633029.test",
  "inFiles":      "INCAR,KPOINTS,POSCAR,POTCAR",
  "outFiles":     ""
}
testValidProgram works for non-magnetic
better debug; begin gwmod work
wip: more debug, work on gwcalc, gwmod, testing framework.
works: no mods to outcar.  gwmod, gwcalc still in progress
fix del .pylada_is_running.  gwmods in progress.
del query on overwrite folders so we can automate testing
get testOne.sh, pylada.execMimic.json working with external test dir
use subprocess instead of shell.system; work on gwcalc
mods starting to do gw