markovmodel / pyemma_tutorials

How to analyze molecular dynamics data with PyEMMA
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conda install & running produces error #110

Closed brookehus closed 6 years ago

brookehus commented 6 years ago

I ran this, in an environment I had already created:

conda install -c conda-forge pyemma_tutorials

Then I ran:

pyemma_tutorials

And I got:

Traceback (most recent call last):
  File "/Users/brooke/miniconda3/envs/pyemma/bin/pyemma_tutorials", line 6, in <module>
    from pyemma_tutorials import main
ImportError: cannot import name 'main'
marscher commented 6 years ago

I think this is fixed on master. You can do python setup.py develop on your git clone to make it work. I will issue a new conda-forge beta version soon. Thanks for testing!

brookehus commented 6 years ago

The notebooks are working fine because I already have pyemma installed.

If I compile from source using python setup.py develop (or install) I get a different error:

(pyemma) [brooke@xenon:~/source/pyemma_tutorials (master)]$ pyemma_tutorials
Traceback (most recent call last):
  File "/Users/brooke/miniconda3/envs/pyemma/bin/pyemma_tutorials", line 6, in <module>
    from pkg_resources import load_entry_point
  File "/Users/brooke/miniconda3/envs/pyemma/lib/python3.6/site-packages/pkg_resources/__init__.py", line 3098, in <module>
    @_call_aside
  File "/Users/brooke/miniconda3/envs/pyemma/lib/python3.6/site-packages/pkg_resources/__init__.py", line 3082, in _call_aside
    f(*args, **kwargs)
  File "/Users/brooke/miniconda3/envs/pyemma/lib/python3.6/site-packages/pkg_resources/__init__.py", line 3111, in _initialize_master_working_set
    working_set = WorkingSet._build_master()
  File "/Users/brooke/miniconda3/envs/pyemma/lib/python3.6/site-packages/pkg_resources/__init__.py", line 573, in _build_master
    ws.require(__requires__)
  File "/Users/brooke/miniconda3/envs/pyemma/lib/python3.6/site-packages/pkg_resources/__init__.py", line 891, in require
    needed = self.resolve(parse_requirements(requirements))
  File "/Users/brooke/miniconda3/envs/pyemma/lib/python3.6/site-packages/pkg_resources/__init__.py", line 777, in resolve
    raise DistributionNotFound(req, requirers)
pkg_resources.DistributionNotFound: The 'monotonic' distribution was not found and is required by humanfriendly
marscher commented 6 years ago

humanfriendly is a dependency of mdshare. @cwehmeyer did you yet encounter any problems with installing mdshare completely with pip?

marscher commented 6 years ago

fixed by version 0.2