Code

Python update#170

Code

Merged

orbeckst merged 66 commits intoBecksteinlab:developBecksteinlab/MDPOW:developfrom ALescoulie:python_updateALescoulie/MDPOW:python_updateCopy head branch name to clipboardJul 30, 2021

+274-145

Commits

Commits on Jul 23, 2021

• Update tests for python 3 compatibility

  ALescoulie

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  471572a

• Update ci workflow for python 3.8

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  46fa863

• Update merge_dicts in config.py

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  3514416

• Update equil.py imports and exceptions

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  9dc7685

• Update fep.py imports __deepcopy__ and exceptions

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  946204f

• Fix filelock.py

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  64734d6

• Update restart.py imports

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  246b8f1

• Update run.py imports and exceptions

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  02482bc

• Update tests to current

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  3c8b27f

• Update project information

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• Update workflow to current

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  1cd3811

• Update scripts and fix outdated script exception syntax

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  c6b8c9d

• Update tests for python compatibility

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  3ed5c74

Commits on Jul 24, 2021

• Undoing path changes in tests

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  6779c73

• Updating log for python 2 compatibility

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  a9dc7fd

• Add argparse to mdpow-pow, correcting github account on AUTHORS

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  05e4977

• Adding comment to test_analysis.py

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  fc90717

• Replacing izip import with six.moves.zip

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  1e023df

• Merge branch 'develop' into python_update

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  704a54e

• Adding __future__ imports to to tests

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  3ca7624

• Merge remote-tracking branch 'origin/python_update' into python_update

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  1794890

• Simplifying merge_dicts

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  6238f10

• Simplifications for config.py

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  4594b4e

• Simplifications for equil.py

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  51b37b0

• Simplifify __deepcopy__ in fep.py

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  4cd8192

Commits on Jul 25, 2021

• Raise assert_almost_equal threshold and add xfail

  ALescoulie

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  19ee8cf

• Merge branch 'develop' into python_update

  orbeckst

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  413e714

• fixed docs: version variable

  orbeckst

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  f94469a

• Merge branch 'develop' into python_update

  orbeckst

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  0f35f98

• Update docs

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  5418760

• Merge remote-tracking branch 'origin/python_update' into python_update

  Show description for 364a70c
  ALescoulie

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  364a70c

• Add comments to test_analysis_alchemlyb.py

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  9d3803a

• Update setup.py with python 3 versions

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  b6491d7

• Reduce testing thresholds for test_analysis.py

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  a6a3dc2

• Updating paths test_runinput.py

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  1310b7d

Commits on Jul 26, 2021

• Updating test thresholds test_analysis_alchemlyb.py

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  ac58484

Commits on Jul 27, 2021

• Add test for fep imports and cleanup test_runinput.py

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  d669920

• Cleanup fep.py imports

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  f57e4d9

• Remove unnecessary exceptions fep.py

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  20b3a64

Commits on Jul 28, 2021

• Apply suggestions from code review

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  d1f0eea

Commits on Jul 29, 2021

• Update CHANGES

  Show description for e81062f
  

  ALescoulie

  and

  orbeckst

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  e81062f

• Remove logger patch

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  7a2139d

• Update ci.yaml

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  5a91932

• Update ci.yaml

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  6d5cdcb

• Add files via upload

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• Adding six to dependencies

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  ad3e586

• Merge remote-tracking branch 'origin/python_update' into python_update

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  8308755

• Fixing indents fep.py

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  34bb10b

• Removing tempdir imports

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  c0d5da1

• Merge branch 'Becksteinlab:develop' into python_3

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• Add files via upload

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  f02dd65

• Add files via upload

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  2154e68

• Merge branch 'Becksteinlab:develop' into python_3

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  2573d5a

• Merge remote-tracking branch 'origin/python_update' into python_update

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  4340663

• add deepcopy test in test_fep.py

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  070f37b

• Update ci.yaml

  ALescoulie

  authored
  ac59bc5

• Update ci.yaml

  ALescoulie

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  c6f367d

• add config.py coverage

  ALescoulie

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  573cca8

• Merge remote-tracking branch 'origin/python_update' into python_update

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  e22673e

• add config.py coverage

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  64529df

Commits on Jul 30, 2021

• adjusted testing matrix

  orbeckst

  committed
  671abed

• add config.py coverage

  ALescoulie

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  1fa4703

• Merge remote-tracking branch 'origin/python_update' into python_update

  ALescoulie

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  9d7e164

• updated import statements in mdpow modules

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  808f1e7

• mdpow scripts Python3 compatibility

  orbeckst

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  de437f2

• Merge branch 'python_update' of https://github.com/ALescoulie/MDPOW into python_update

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  0edb862