qcscine/swoose: Release 1.0.0

Changes: parametrization of SFAM molecular mechanics model (large and small systems) GAFF molecular mechanics model interface through SCINE to xTB and Sparrow automated set-up of QM/MM calculations (including automated QM region selection) single-point calculations with the molecular mechanics models and with QM/MM models Hessian matrix available with MM models structure optimizations and molecular dynamics simulations with MM models and with QM/MM models library functions to build molecular machine learning models from quantum chemical reference dat