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GromacsWrapper ≥ 0.7 supports Python 3.4+ #35

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orbeckst opened this issue Sep 21, 2018 · 4 comments
Closed

GromacsWrapper ≥ 0.7 supports Python 3.4+ #35

orbeckst opened this issue Sep 21, 2018 · 4 comments

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@orbeckst
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I am glad you find MDAnalysis and GromacsWrapper useful. I just wanted to point out that with the recent GW 0.7.0 release, Python 3 is also supported;

ParaTemp/paratemp/__init__.py

Line 40 in 5500179

if sys.version_info.major == 2:

(If something is not working as expected, please raise an issue https://github.com/Becksteinlab/GromacsWrapper/issues – thanks!)
@theavey
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theavey commented Sep 21, 2018

That’s great to hear! I’ll update shortly.

Thank you very much

theavey added a commit that referenced this issue Nov 27, 2018
@theavey
#35 GromacsWrapper ≥ 0.7 supports Python 3.4+
9a0b061 
Remove Python type check in __init__;
Update a few old lines in energy_histo;
Fix a few unescaped backslashes in strings
@theavey theavey mentioned this issue Nov 27, 2018
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theavey added a commit that referenced this issue Nov 27, 2018
@theavey
Merge pull request #37 from theavey/ParaTemp-35
5cafd78 
#35 GromacsWrapper ≥ 0.7 supports Python 3.4+
@orbeckst
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👍

@orbeckst
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@theavey sorry to ask in a comment here but do you happen to have a paper/citation for ParaTemp – we are currently looking for projects that use GW Becksteinlab/GromacsWrapper#163 ? Thanks!

@theavey
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theavey commented Nov 27, 2018

No worries.
I have not published it by itself yet. We submitted a paper about a week ago that mentions it, and I have plans to write up an individual paper for ParaTemp once I can clean it up some more.

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@orbeckst @theavey