Preparation for v1.2 release

[danielhollas]

Re: Authorship, I went through Git history so I don't forget anybody, but obviously other people contributed that might not be in the history directly --- please let me know!
(commit count doesn't matter and is not necessarily indicative of anything)

❯ git shortlog -e -s -n
   322  Daniel Hollas <hollasd@vscht.cz>
   147  Daniel Hollas <danekhollas@gmail.com>
    32  Daniel Hollas <daniel.hollas@bristol.ac.uk>
    24  Jiri Suchan <ji.suchan@seznam.cz>
    22  Jiri Suchan <suchanj@vscht.cz>
    15  suchanj <ji.suchan@seznam.cz>
     6  Daniel Hollas <hollas@vscht.cz>
     5  Daniel Hollas <hollasd@vscht.com>
     5  JanosJiri <88504448+JanosJiri@users.noreply.github.com>
     5  Jiří Janoš <88504448+JanosJiri@users.noreply.github.com>
     4  Daniel Hollas <daniel.hollas@durham.ac.uk>
     3  Stepan Srsen <srsen.stepan@gmail.com>
     2  chalabaj <chalabaj@vscht.cz>
     2  juraskov <veronika.juraskova@email.cz>
     2  Štěpán Sršeň <srsen.stepan@gmail.com>
     1  Daniel Hollas <hollas@as67-1.vscht.cz>
     1  Marco Barnfield <92431042+mbarnfield63@users.noreply.github.com>
     1  chalabaj <chalabaj@403-as67-01.vscht.cz>
     1  dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

@suchanj @JanosJiri feel free to push to this branch

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.06%. Comparing base (979b38a) to head (a2ed7bc).
⚠️ Report is 5 commits behind head on master.

Additional details and impacted files

@@           Coverage Diff           @@
##           master     #211   +/-   ##
=======================================
  Coverage   84.05%   84.06%           
=======================================
  Files          47       47           
  Lines        6599     6602    +3     
  Branches      764      764           
=======================================
+ Hits         5547     5550    +3     
  Misses        853      853           
  Partials      199      199           

Flag	Coverage Δ
unittests	18.40% <0.00%> (-0.01%)	⬇️

Flags with carried forward coverage won't be shown. Click here to find out more.

Files with missing lines	Coverage Δ
src/compile_info.F90	100.00% <ø> (ø)
src/error.F90	93.33% <ø> (ø)
src/init.F90	82.61% <100.00%> (+0.08%)	⬆️

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[JanosJiri]

I managed to run QChem interface using QChem version 6.2, it just needed one tiny fix.

[danielhollas]

@JanosJiri @suchanj thank you for your changes here! I'm going to merge this, but if you find anything else to tweak please open a new PR. I am a bit swamped today, and still working on #168 so realistically I will not cut the new release until tomorrow or Friday.