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msultan / tica_metadynamics

Efficient sampling of protein mutants via transfer learning from the wild-type simulation
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Installation problem #4

Closed sbhakat closed 6 years ago

sbhakat commented 6 years ago

When I am trying to load the plumed writer for tica it gives an error like following

from msmbuilder.utils import load from tica_metadynamics.plumed_writer import render_tica_plumed_file

ModuleNotFoundError: No module named 'tica_metadynamics'

The installation looks fine for me

running install
running bdist_egg
running egg_info
writing tica_metadynamics.egg-info/PKG-INFO
writing dependency_links to tica_metadynamics.egg-info/dependency_links.txt
writing entry points to tica_metadynamics.egg-info/entry_points.txt
writing top-level names to tica_metadynamics.egg-info/top_level.txt
package init file 'tests/__init__.py' not found (or not a regular file)
reading manifest file 'tica_metadynamics.egg-info/SOURCES.txt'
writing manifest file 'tica_metadynamics.egg-info/SOURCES.txt'
installing library code to build/bdist.linux-x86_64/egg                                                                                                                                                                
running install_lib                                                                                                                                                                                                    
running build_py                                                                                                                                                                                                       
creating build/bdist.linux-x86_64/egg                                                                                                                                                                                  
creating build/bdist.linux-x86_64/egg/tests                                                                                                                                                                            
copying build/lib/tests/_test_plumed_force.py -> build/bdist.linux-x86_64/egg/tests                                                                                                                                    
copying build/lib/tests/test_project_wall.py -> build/bdist.linux-x86_64/egg/tests                                                                                                                                     
copying build/lib/tests/test_empty.py -> build/bdist.linux-x86_64/egg/tests                                                                                                                                            
copying build/lib/tests/test_project_setup.py -> build/bdist.linux-x86_64/egg/tests                                                                                                                                    
copying build/lib/tests/.bashlog -> build/bdist.linux-x86_64/egg/tests                                                                                                                                                 
copying build/lib/.bashlog -> build/bdist.linux-x86_64/egg                                                                                                                                                             
creating build/bdist.linux-x86_64/egg/tica_metadynamics                                                                                                                                                                
copying build/lib/tica_metadynamics/post_process.py -> build/bdist.linux-x86_64/egg/tica_metadynamics                                                                                                                  
copying build/lib/tica_metadynamics/render_sub_file.py -> build/bdist.linux-x86_64/egg/tica_metadynamics                                                                                                               
copying build/lib/tica_metadynamics/plumed_writer.py -> build/bdist.linux-x86_64/egg/tica_metadynamics                                                                                                                 
copying build/lib/tica_metadynamics/setup_file.py -> build/bdist.linux-x86_64/egg/tica_metadynamics
copying build/lib/tica_metadynamics/mdl_analysis.py -> build/bdist.linux-x86_64/egg/tica_metadynamics
copying build/lib/tica_metadynamics/load_sim.py -> build/bdist.linux-x86_64/egg/tica_metadynamics
copying build/lib/tica_metadynamics/utils.py -> build/bdist.linux-x86_64/egg/tica_metadynamics
copying build/lib/tica_metadynamics/validation.py -> build/bdist.linux-x86_64/egg/tica_metadynamics
copying build/lib/tica_metadynamics/.bashlog -> build/bdist.linux-x86_64/egg/tica_metadynamics
copying build/lib/tica_metadynamics/setup_sim.py -> build/bdist.linux-x86_64/egg/tica_metadynamics
copying build/lib/tica_metadynamics/__init__.py -> build/bdist.linux-x86_64/egg/tica_metadynamics
copying build/lib/tica_metadynamics/simulate.py -> build/bdist.linux-x86_64/egg/tica_metadynamics
byte-compiling build/bdist.linux-x86_64/egg/tests/_test_plumed_force.py to _test_plumed_force.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tests/test_project_wall.py to test_project_wall.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tests/test_empty.py to test_empty.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tests/test_project_setup.py to test_project_setup.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/post_process.py to post_process.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/render_sub_file.py to render_sub_file.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/plumed_writer.py to plumed_writer.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/setup_file.py to setup_file.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/mdl_analysis.py to mdl_analysis.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/load_sim.py to load_sim.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/utils.py to utils.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/validation.py to validation.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/setup_sim.py to setup_sim.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/__init__.py to __init__.cpython-36.pyc
byte-compiling build/bdist.linux-x86_64/egg/tica_metadynamics/simulate.py to simulate.cpython-36.pyc
creating build/bdist.linux-x86_64/egg/EGG-INFO
copying tica_metadynamics.egg-info/PKG-INFO -> build/bdist.linux-x86_64/egg/EGG-INFO
copying tica_metadynamics.egg-info/SOURCES.txt -> build/bdist.linux-x86_64/egg/EGG-INFO
copying tica_metadynamics.egg-info/dependency_links.txt -> build/bdist.linux-x86_64/egg/EGG-INFO
copying tica_metadynamics.egg-info/entry_points.txt -> build/bdist.linux-x86_64/egg/EGG-INFO
copying tica_metadynamics.egg-info/not-zip-safe -> build/bdist.linux-x86_64/egg/EGG-INFO
copying tica_metadynamics.egg-info/top_level.txt -> build/bdist.linux-x86_64/egg/EGG-INFO
creating 'dist/tica_metadynamics-0.1-py3.6.egg' and adding 'build/bdist.linux-x86_64/egg' to it
removing 'build/bdist.linux-x86_64/egg' (and everything under it)
Processing tica_metadynamics-0.1-py3.6.egg
creating /home/sbhakat/miniconda2/envs/py36/lib/python3.6/site-packages/tica_metadynamics-0.1-py3.6.egg
Extracting tica_metadynamics-0.1-py3.6.egg to /home/sbhakat/miniconda2/envs/py36/lib/python3.6/site-packages
Adding tica-metadynamics 0.1 to easy-install.pth file
Installing process_tica_meta_sim script to /home/sbhakat/miniconda2/envs/py36/bin
Installing run_tica_meta_sim script to /home/sbhakat/miniconda2/envs/py36/bin
Installing setup_tica_meta_sim script to /home/sbhakat/miniconda2/envs/py36/bin

Installed /home/sbhakat/miniconda2/envs/py36/lib/python3.6/site-packages/tica_metadynamics-0.1-py3.6.egg
Processing dependencies for tica-metadynamics==0.1
Finished processing dependencies for tica-metadynamics==0.1
msultan commented 6 years ago

you might have two different pythons on your system. Can you run the following two commands? 

which python

which ipython
sbhakat commented 6 years ago

I solved the problem it was just a python version problem

msultan commented 6 years ago

closing now.