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Port topology module #1420

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merged 4 commits into from Jun 24, 2017

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utkbansal commented Jun 21, 2017

Fixes #

Changes made in this Pull Request:

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  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

utkbansal added some commits Jun 21, 2017

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utkbansal commented Jun 22, 2017

This should hopefully get coverage back to normal.

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utkbansal commented Jun 22, 2017

@richardjgowers @kain88-de Minor increase in coverage! A review would be helpful.

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kain88-de commented Jun 23, 2017

@jbarnoud & @mnmelo can you have a look I don't have time currently.

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Style is much better than in the PR on utils. Just one file where the imports are reordered.

I did not notice any tests that are missing, but I figured out why I had test that appeared discovered in pytest but not in nose: while we generally avoided docstring in tests to have a readable log in nose, we still have some. Nose does display the docstring instead of the test name in the verbose view; pytest doesn't. It means that it is difficult to accurately compare the two logs, but also that we will be able to have docstrings in tests. Yeah!

@@ -1,19 +1,22 @@
from __future__ import absolute_import
from numpy.testing import (

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jbarnoud Jun 23, 2017

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Please, fix the import order.

@@ -63,42 +66,81 @@ class TPRBase(TPRAttrs):
# All these classes should be generated in a loop. Yet, nose test generation
# seems to work only with functions, and not with classes.
class TestTPR400(TPRBase):
__test__ = True

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This all file will be much better with fixtures. Not for this PR, but this test suite will really profits from the move to pytest.

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utkbansal commented Jun 23, 2017

@jbarnoud @richardjgowers This should be ready to merge now.

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utkbansal commented Jun 23, 2017

Apparently, the hostname "dropbox.com" cannot be resolved during the full build.

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kain88-de commented Jun 23, 2017

Apparently, the hostname "dropbox.com" cannot be resolved during the full build.

We need more information. This message alone doesn't give me much when the build is restarted. When did it try to access dropbox would be valuable information for example.

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jbarnoud commented Jun 23, 2017

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utkbansal commented Jun 23, 2017

if [[ $NAME == 'full' ]]; then \
      bash ./maintainer/install_hole.sh $TRAVIS_OS_NAME "${HOME}/${MDA_OPTPACKAGES}"; \
      HOLE_BINDIR="${HOME}/${MDA_OPTPACKAGES}/hole2/exe"; \
      export PATH=${PATH}:${HOLE_BINDIR}; \
  fi
  
Downloading hole2-NotForProfit-2.2.004-Linux-x86_64.tar.gz from https://www.dropbox.com/s/jukpwlohhi20r17/hole2-NotForProfit-2.2.004-Linux-x86_64.tar.gz?dl=1...
curl: (6) Couldn't resolve host 'www.dropbox.com'
[install_hole.sh] ERROR: Failed to download hole2-NotForProfit-2.2.004-Linux-x86_64.tar.gz from https://www.dropbox.com/s/jukpwlohhi20r17/hole2-NotForProfit-2.2.004-Linux-x86_64.tar.gz?dl=1 [1]

It tries to download some hole dependency from dropbox and that is a part of the ci-helpers we are using.

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jbarnoud commented Jun 23, 2017

@kain88-de @richardjgowers Can I merge, or should I wait for 0.16.2 to be released?

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richardjgowers commented Jun 23, 2017

@jbarnoud yeah tests aren't user facing, so we can merge this

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richardjgowers commented Jun 23, 2017

@jbarnoud I take that back, maybe we're not doing pytest in 16.2... #1401

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orbeckst commented Jun 24, 2017

#1420 (comment)

It tries to download some hole dependency from dropbox and that is a part of the ci-helpers we are using.

Just some background: hole is not part of the ci-helpers. It is an external software that we use for the MDAnalysis.analysis.hole module. In order to test the module, we need to install the software. The license of hole is very unfriendly so the only legal approach (as far as we could figure out) is to always download it from the official site, which happens to be a dropbox location...

Or at least that was the story until 2 minutes ago when I figured out that hole is now open source: https://github.com/osmart/hole2 ... so I think we will soon have conda packages. ;-) #1429

@richardjgowers richardjgowers merged commit c27ace3 into MDAnalysis:develop Jun 24, 2017

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QuantifiedCode 14 minor issues introduced.
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continuous-integration/travis-ci/pr The Travis CI build passed
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coverage/coveralls Coverage increased (+0.02%) to 88.856%
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richardjgowers commented Jun 25, 2017

@utkbansal So this PR didn't actually add topology to the pytest list in travis.yml 😆

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utkbansal commented Jun 25, 2017

Oh man! Rebasing and stuff can be very confusing if you have 4 PRs in parallel. 😆

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richardjgowers commented Jun 25, 2017

Put it in the xdist pr

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jbarnoud commented Jun 25, 2017

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utkbansal commented Jun 25, 2017

@jbarnoud Makes more sense now!

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