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K cl #98

Merged
merged 46 commits into from Apr 26, 2019
Merged

K cl #98

merged 46 commits into from Apr 26, 2019

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slochower
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@slochower
Remove custom precommit hook
b3e5a4c
@slochower
Add intersphinx to ParmEd
92d0ee3
@slochower
First migration of cookie-cutter
38d205b
@slochower
Forgot to migrate dotfiles
ec596bc
@slochower
Add versioneer.py
836ac40
@slochower
Fixed a few imports and first test working
4012186
@slochower
Updates test_tleap.py
835e8b1
@slochower
Rename restraints_json to io
de22679
@slochower
Updates test_io (from test_json) and implements pytest.fixture
63b7b38
@slochower
Removed efficiency testing
7e83a9c
@slochower
Add separate file to test for Amber/OpenMM imports and executables.
5a19283
@slochower
Add separate file to test for Amber/OpenMM imports and executables.
0b14345
@slochower
DS_Store be gone
210c3eb
@slochower
OpenMM tests working, but need reference values
524791f
@slochower
Rename reference data, optimize imports, and fix analysis
5c5881d
@slochower
Run black on tests/ directory
20912fb
@slochower
Debugging paths
ef3923c
@slochower
Debugging Travis paths
df3bd6b
@slochower
Testing before_script
5a9b377
@slochower
Change in test directory
125cf45
@slochower
Much better, more robust, path handling in tests
a12d298
@slochower
Much better, more robust, path handling in tests
78228ce
@slochower
Add ParmEd dependency
23c6ff9
@slochower
Add Pytraj dependency
55850d1
@slochower
Add ambermd to dependencies, in addition to ambertools/conda
2c8c995
@slochower
Bump ambertools=18, remove explicit pytraj
3a3ca29
@slochower
Disable Python 3.7 testing until is updated
9485942
@slochower
Merge branch 'cookiecutter' of ssh://github.com/slochower/pAPRika int…
59e7fb3 
…o cookiecutter
@slochower
Adjust reference value
8c1d687
@slochower
Reduce atol to get tests to pass
408268f
@slochower slochower marked this pull request as ready for review April 25, 2019 19:49
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Codecov Report

Merging #98 into master will increase coverage by 0.86%.
The diff coverage is 78.08%.

@slochower slochower merged commit 23b7c97 into master Apr 26, 2019
@slochower slochower deleted the k-cl branch November 4, 2019 22:00
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@slochower @codecov-io