maxscheurer / pycontact

Analysis of non-covalent interactions in MD trajectories
https://pycontact.github.io/
GNU General Public License v3.0
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Error when installing #49

Closed RasmusFonseca closed 6 years ago

RasmusFonseca commented 6 years ago

I followed instructions, but when running pip install pycontact I get:

  warning: manifest_maker: MANIFEST.in, line 1: 'recursive-include' expects <dir> <pattern1> <pattern2> ...

  writing manifest file 'pycontact.egg-info/SOURCES.txt'
  Copying pycontact.egg-info to build/bdist.macosx-10.6-x86_64/wheel/pycontact-1.0.1-py2.7.egg-info
  running install_scripts
  error: [Errno 2] No such file or directory: 'LICENSE'

  ----------------------------------------
  Failed building wheel for pycontact
  Running setup.py clean for pycontact
Failed to build pycontact
Installing collected packages: pycontact
  Running setup.py install for pycontact ... done
Successfully installed pycontact-1.0.1
RasmusFonseca commented 6 years ago

I can actually run pycontact after, but it gives me

(py27) MBPro:~/Programs/pyinteraph/tutorial $ pycontact
Traceback (most recent call last):
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/bin/pycontact", line 11, in <module>
    load_entry_point('pycontact==1.0.1', 'console_scripts', 'pycontact')()
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/pkg_resources/__init__.py", line 572, in load_entry_point
    return get_distribution(dist).load_entry_point(group, name)
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/pkg_resources/__init__.py", line 2755, in load_entry_point
    return ep.load()
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/pkg_resources/__init__.py", line 2408, in load
    return self.resolve()
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/pkg_resources/__init__.py", line 2414, in resolve
    module = __import__(self.module_name, fromlist=['__name__'], level=0)
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/PyContact/pycontact.py", line 11, in <module>
    from .gui.MainWindow import MainWindow
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/PyContact/gui/MainWindow.py", line 18, in <module>
    from SasaWidgets import SasaWidget
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/PyContact/gui/SasaWidgets.py", line 17, in <module>
    from Dialogues import TopoTrajLoaderDialog
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/PyContact/gui/Dialogues.py", line 8, in <module>
    from PyContact.core.ContactAnalyzer import Analyzer
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/PyContact/core/ContactAnalyzer.py", line 21, in <module>
    from .aroundPatch import AroundSelection
  File "/Users/rfonseca/Programs/miniconda3/envs/py27/lib/python2.7/site-packages/PyContact/core/aroundPatch.py", line 7, in <module>
    class AroundSelection(DistanceSelection):
NameError: name 'DistanceSelection' is not defined
maxscheurer commented 6 years ago

Which version of mdanalysis are you using? I think PyContact needs 0.15, I will apply some changes in the code for mdanalysis 0.17 support.

RasmusFonseca commented 6 years ago

pip install MDAnalysis==0.15 worked. Thanks

maxscheurer commented 6 years ago

Okay. Sorry for the inconvenience, I will leave your issue open until the problem is finally fixed on the PyContact side.