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test the mdpow-* scripts #172

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orbeckst opened this issue Jul 30, 2021 · 0 comments
Open
2 tasks

test the mdpow-* scripts #172

orbeckst opened this issue Jul 30, 2021 · 0 comments
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testing

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@orbeckst
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The scripts/mdpow-* scripts are not tested at all.

  • run scripts with simple input and short run time in at least the lowest and highest python-version
  • test if the script runs or fails and if it produces the expected output

I don't know what a good testing framework would be, or if we just write a bunch of bash or python scripts.
orbeckst pushed a commit that referenced this issue Jul 30, 2021
@ALescoulie
Python update (PR #170 , formerly PR #166)
4d2498b 
* close #84 
* support Python 3.6 – 3.9 (in addition to Python 2.7)
* use six and other compatibility hacks
   - replaced outdated merge_dicts function in config.py with recursive method that works in python 2 
   - added `__deepcopy__` method in fep.py with method that works in python 3.
   - use `__future__` imports
   - use logger.warning() everywhere
* Updated tests 
   - avoid reading errors when opening pickle file generated in Python 2
   - replaced outdated yield tests
   - fixed tempdir imports (replace with pytest fixtures later)
* updated mdpow scripts Python3 compatibility (untested, see #172 )
* Updated ci workflow to test supported Python versions
* updated AUTHORS
* updated CHANGES
    
Co-authored-by: Oliver Beckstein <[email protected]>
@orbeckst orbeckst mentioned this issue Aug 5, 2021
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@orbeckst