ENH: QMFlows 1.0.0b1 release

[BvB93]

Maintenance and general prepreations for the QMFlows 1.0.0b1 release.
The plan is to let this release sit for a while before formally bumping to the full 1.0.0 release.

New

• Add new aliases for CP2K potentials

Changed

• Dropped support for Python 3.6 and 3.7
• Finished the QMFlows 0.12.0 deprecations
• Switched from setup.cfg to pyproject.toml
• Misc annotation improvements

[codecov]

Codecov Report

Merging #300 (b833bd7) into master (e30361c) will decrease coverage by 3.26%.
The diff coverage is 78.71%.

@@            Coverage Diff             @@
##           master     #300      +/-   ##
==========================================
- Coverage   84.41%   81.15%   -3.26%     
==========================================
  Files          60       43      -17     
  Lines        2444     2298     -146     
  Branches      481      399      -82     
==========================================
- Hits         2063     1865     -198     
- Misses        285      321      +36     
- Partials       96      112      +16     

Impacted Files	Coverage Δ
src/qmflows/parsers/__init__.py	100.00% <ø> (ø)
src/qmflows/packages/_serializer.py	46.91% <34.04%> (-32.26%)	⬇️
src/qmflows/parsers/_generic.py	62.79% <50.00%> (-12.21%)	⬇️
src/qmflows/__init__.py	92.30% <60.00%> (-7.70%)	⬇️
src/qmflows/fileFunctions.py	88.23% <66.66%> (-11.77%)	⬇️
src/qmflows/packages/_package_wrapper.py	85.96% <66.66%> (-3.33%)	⬇️
src/qmflows/components/operations.py	72.41% <75.00%> (-4.51%)	⬇️
src/qmflows/yaml_utils.py	80.00% <75.00%> (+0.58%)	⬆️
src/qmflows/parsers/cp2k.py	80.15% <76.19%> (-4.06%)	⬇️
src/qmflows/components/reactivity.py	84.84% <77.77%> (ø)
... and 23 more

📣 We’re building smart automated test selection to slash your CI/CD build times. Learn more