Metadata-Version: 1.1
Name: OpenEye-toolkits-python3-linux-x64
Version: 2019.10.2
Summary: OpenEye-toolkits Python Toolkits
Home-page: http://www.eyesopen.com
Author: OpenEye Scientific Software, Inc.
Author-email: support@eyesopen.com
License: Other/Proprietary License
Description: ************************************************************************
        Linux & macOS
        ************************************************************************
        
        Installing OpenEye Python Toolkits As A Conda package
        ========================================================================
        
        The simplest way to install the **OpenEye Python Toolkits** is as a
        Conda package.
        
        The *Anaconda* package can be downloaded from
        https://www.anaconda.com/distribution/ for Windows, macOS and Linux
        platforms. Follow the very simple instructions given there for
        installation.
        For first time users we also recommend reading
        `Getting started with conda <https/conda.pydata.org/docs/test-drive.html>`_ and print out the
        `Conda user cheat sheet <http://know.continuum.io/rs/387-XNW-688/images/conda-cheatsheet.pdf>`_
        reference.
        
        .. note::
        
           We recommend the installation of PYTHON 3 Anaconda packages.
           This version will default to Python 3 when creating new
           environments and building packages.
        
        After downloading and installing *Anaconda*, the **OpenEye Python
        Toolkit** package can be installed by the following steps:
        
        1. First create a new conda environment with the **OpenEye Python Toolkit** package
        
           .. parsed-literal::
        
              $ conda create -n oepython -c openeye openeye-toolkits
        
           .. parsed-literal::
        
              Solving environment: done
        
              ## Package Plan ##
        
                environment location: /home/username/anaconda3/envs/oepython
        
                added / updated specs:
                  - openeye-toolkits
        
                The following packages will be downloaded:
        
        	...
        
                The following NEW packages will be INSTALLED:
        
                ...
                openeye-toolkits: |pypkgversion| -py37_0        openeye
                ...
        
                Proceed ([y]/n)?
        
           After entering "y" to proceed, a new 'oepython' environment will be created
           be activated with the **OpenEye Python Toolkit** package.
        
        |
        
        2. Activate the newly created 'oepython3' environment:
        
           .. parsed-literal::
        
              $ source activate oepython
        
        3. Run the **OpenEye** example `oecheminfo.py` to verify the installation
           has completed successfully:
        
           .. parsed-literal::
        
              (oepython) $ oecheminfo.py
              Installed OEChem version: |oechemversion| platform: linux-g++4.x-x64 built: |builddate|
              ...
        
        Alternative Installation Strategies
        ========================================================================
        
        * To install **OpenEye Python Toolkits** in existing environments:
        
          .. toctree::
             :maxdepth: 1
        
             linuxosx_anaconda
             linuxosx_virtualenv
        
          The above two ways are highly recommended since it is considered
          harmful to install packages into your global Python installation.
        
        
        * To install **OpenEye Python Toolkits** across multiple Linux versions:
        
          .. toctree::
             :maxdepth: 1
        
             linuxosx_single
        
        * To install **OpenEye Python Toolkits** with no root access available:
        
          .. toctree::
             :maxdepth: 1
        
             linuxosx_pythonpath
        
        For assistance with unusual installation environments such as systems
        without network access or heterogeneous clusters, please contact
        support at support@eyesopen.com.
        
        
        .. note::
        
           In order to follow the
           `PEP 440 <http://www.python.org/dev/peps/pep-0440>`_ guidelines on
           versions, the version label for the python toolkit
           is |pypkgversion| instead of |pkgversion|.
        
        
        .. _section_python_test:
        
        Integration Testing
        ========================================================================
        
        The **OpenEye Python Toolkits** ship with a simple set of integration
        tests to make sure all the libraries function as intended. The test suite
        is not as exhaustive as the test suite used internally, it is just meant to
        ensure the **OpenEye Python Toolkits** infrastructure is working as intended.
        
        .. warning::
        
           Running the integration test requires *scripttest* and *nose*
           Python packages. These packages will be installed on-the-fly, if
           necessary. Again using *conda* or *virtualenv* environments
           will insure that these packages will not be installed into the global
           Python environment.
        
        To run the integration test suite (after activating the environment
        into which **OpenEye Python Toolkits** has been installed), execute the
        following command:
        
        .. parsed-literal::
        
           $ python -m openeye.examples.openeye_tests
        
        A message like the following will be shown if all the tests were run
        successfully::
        
           Requirement already satisfied: pytest
           Requirement already satisfied: py>=1.4.29
           Collecting scripttest
           Installing collected packages: scripttest
           Successfully installed scripttest-1.3
           .........................................
           ----------------------------------------------------------------------
           Ran 42 tests in 95.877s
        
           OK
        
        Tests are skipped when the license is invalid/expired/doesn't exist or
        if functionally is not supported on the OS/platform.
        For example, when using a license file that only contains an **OEChem TK**
        license, a large number of tests will be skipped::
        
           SSSSSSSSSSSSSSS.......SSSSSSSSSSSSSSSSSSS
           ----------------------------------------------------------------------
           Ran 42 tests in 0.956s
        
           OK (SKIP=34)
        
        Similarly, FastROCS tests are skipped on macOS, Windows, and Linux systems
        without appropriate GPU hardware since FastROCS functionality is not available.
        
Platform: UNKNOWN
Classifier: Development Status :: 5 - Production/Stable
Classifier: Topic :: Utilities
Classifier: License :: Other/Proprietary License
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3
Classifier: Natural Language :: English
