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support Python 3 #84

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orbeckst opened this issue Mar 10, 2017 · 4 comments · Fixed by #166 or #170
Closed
3 tasks done

support Python 3 #84

orbeckst opened this issue Mar 10, 2017 · 4 comments · Fixed by #166 or #170
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@ALescoulie
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Python 3
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1.0

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@orbeckst
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orbeckst commented Mar 10, 2017 •
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Support Python 2.7 and Python 3.6+

  • use from __future__ import print_function, ...
  • use six where necessary
  • add Python 3 tests to test matrix
@orbeckst orbeckst added this to the 1.0 milestone Mar 10, 2017
@orbeckst orbeckst mentioned this issue Jan 23, 2021
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@orbeckst
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Unless someone wants to put the effort into porting with six we will just keep it Python 2.7 and a stable set of dependencies.

@orbeckst orbeckst removed this from the 1.0 milestone Jan 23, 2021
@orbeckst orbeckst removed the wontfix label Jun 7, 2021
@orbeckst
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orbeckst commented Jun 7, 2021

@ALescoulie if you want to take the py3 upgrade on — please do!!!!

@orbeckst orbeckst mentioned this issue Jun 7, 2021
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@orbeckst orbeckst added this to the 1.0 milestone Jul 21, 2021
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VOD555 commented Jul 23, 2021 •
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We need to replace optparse with 'argparse' in the scripts.
mdpow-solvationenergy, mdpow-pow and mdpow-pcw have been changed to use argparse in #150 .
We still need to do the same things in the others.

@orbeckst orbeckst linked a pull request Jul 24, 2021 that will close this issue
Python 3 support #166
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@orbeckst orbeckst mentioned this issue Jul 24, 2021
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@orbeckst orbeckst linked a pull request Jul 30, 2021 that will close this issue
Python update #170
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Accidentally closed with a premature merge.

@orbeckst orbeckst reopened this Jul 30, 2021
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]>
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Python 3 support ALescoulie/MDPOW
Python update ALescoulie/MDPOW
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@orbeckst @VOD555 @ALescoulie