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Uninstalling OpenEye Python Toolkits

Uninstallation of Python modules is currently only supported by the PIP Package Manager. This is one of the key advantages of using PIP and why it is becoming the most recommended way of working with Python packages. The core OpenEye Python toolkits work very well with PIP, including for uninstallation.

However, special care must be taken to uninstall everything when the OpenEye toolkits were installed from OpenEye’s anaconda.org repository. The following command will actually install two packages, as can be seen with the following pip list command:

(oepython) $ pip install -i https://pypi.anaconda.org/OpenEye/simple OpenEye-toolkits
(oepython) $ pip list
OpenEye-toolkits (2017.6.1)
OpenEye-toolkits-python2.7-osx-10.10-x64 (2017.6.1)
pip (1.4)
setuptools (0.9.7)
wsgiref (0.1.2)

The OpenEye-toolkits package is referred to as the “meta-package” as its sole purpose is to do automatic platform detection for the proper binary package, then install that package as well. The OpenEye-toolkits-python2.7-osx-10.10-x64 package seen above is the actual package that contains the openeye module. That means to fully uninstall all OpenEye toolkit packages, both packages need to be removed. Both packages can be removed by explicitly specifying both like the following:

(oepython) $ pip uninstall OpenEye-toolkits
(oepython) $ pip uninstall OpenEye-toolkits-python2.7-osx-10.10-x64

For those wishing to only copy and paste a single command to uninstall all OpenEye Python packages, the following Linux shell one liner will do the trick:

(oepython) $ pip uninstall `pip list | grep 'OpenEye-toolkits' | awk '{print $1}' | xargs`
Uninstalling OpenEye-toolkits:
Proceed (y/n)? y
Successfully uninstalled OpenEye-toolkits
Uninstalling OpenEye-toolkits-python2.7-osx-10.10-x64:
Proceed (y/n)? y
Successfully uninstalled OpenEye-toolkits-python2.7-osx-10.10-x64


This is an area OpenEye hopes to improve upon over time as new Python packaging technology becomes more ubiquitous. The goal is eventually remove the need for a separate “binary” package that contains the full binary platform specification. OpenEye-toolkits should be the only dependency any user should care about, and that name is guaranteed to be stable from the 2015.Jun release forward.