extended tests

[orbeckst]

• modularized testing with a base class in tests/__init__.py
• simple tests for all NAMD datasets (#50 )
• simple tests for all GMX datasets (#51 )
• simple tests for all GOMC datasets (#52 )
• simple tests for some AMBER datasets (#49 )
• configure coverage to not include tests
• simplified CI to reduce runtime for a worker from 2:30min to ~0:30min

[codecov[bot]]

Codecov Report

Merging #53 (951c8ef) into master (1cb7c12) will increase coverage by 62.52%. The diff coverage is n/a.

:exclamation: Current head 951c8ef differs from pull request most recent head fd5ca13. Consider uploading reports for the commit fd5ca13 to get more accurate results

@@             Coverage Diff             @@
##           master      #53       +/-   ##
===========================================
+ Coverage   25.75%   88.28%   +62.52%     
===========================================
  Files          10        9        -1     
  Lines         132      128        -4     
===========================================
+ Hits           34      113       +79     
+ Misses         98       15       -83     

Flag	Coverage Δ
unittests	88.28% <ø> (+62.52%)	:arrow_up:

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

Impacted Files	Coverage Δ
src/alchemtest/_version.py
src/alchemtest/amber/access.py	62.96% <0.00%> (+62.96%)	:arrow_up:
src/alchemtest/gmx/access.py	100.00% <0.00%> (+68.62%)	:arrow_up:
src/alchemtest/gomc/access.py	100.00% <0.00%> (+100.00%)	:arrow_up:
src/alchemtest/namd/access.py	100.00% <0.00%> (+100.00%)	:arrow_up:
src/alchemtest/gomc/__init__.py	100.00% <0.00%> (+100.00%)	:arrow_up:
src/alchemtest/namd/__init__.py	100.00% <0.00%> (+100.00%)	:arrow_up:
src/alchemtest/amber/__init__.py	100.00% <0.00%> (+100.00%)	:arrow_up:

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[orbeckst]

not sure why tests are not running??

[orbeckst]

I rewrote the history so that it can me merged (no need to squash).

[orbeckst]

Thanks for the review, @xiki-tempula !