Update toml-f version

[thfroitzheim]

As described in mctc/#102 there is an incompatibility between the toml-f versions in jonquil (head of toml-f) and simple-dftd3 (v0.4.2 of toml-f). I would recommend to first release toml-f and jonquil versions, which is why this is only a draft showing the problem.

I also updated the macos runners to macos-15-intel as macos-13 will be discontinued.

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 66.34%. Comparing base (86dcf33) to head (219ffea).

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #157   +/-   ##
=======================================
  Coverage   66.34%   66.34%           
=======================================
  Files          33       33           
  Lines        4627     4627           
  Branches     1608     1608           
=======================================
  Hits         3070     3070           
  Misses        637      637           
  Partials      920      920           

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