Fixing implicit solvation in tblite and safer MKL handling

[pprcht]

Key points:

• Implement xtb-consistent ALPB/GBSA implicit solvation via tblite from a fork of the repository to address Inconsitent implicit solvation between tblite and xtb #312
• Safer MKL handling to address Intel MKL ERROR: Parameter 6 was incorrect on entry to DLASWP #285 (unfortunately not entirely fixed, but now more robust w.r.t. the error)
• Reimplementation of Protonation/Deprotonation algos with calculator backend (not yet done by default, but can be selected with --newversion)