Metadata-Version: 1.1
Name: custodian
Version: 0.8.4
Summary: A simple JIT job management framework in Python.
Home-page: https://github.com/materialsproject/custodian
Author: Shyue Ping Ong
Author-email: ongsp@ucsd.edu
License: MIT
Description: 
        Custodian is a simple, robust and flexible just-in-time (JIT) job management
        framework written in Python. Using custodian, you can create wrappers that
        perform error checking, job management and error recovery. It has a simple
        plugin framework that allows you to develop specific job management workflows
        for different applications.
        
        Error recovery is an important aspect of many *high-throughput* projects that
        generate data on a large scale. When you are running on the order of hundreds
        of thousands of jobs, even an error-rate of 1% would mean thousands of errored
        jobs that would be impossible to deal with on a case-by-case basis.
        
        The specific use case for custodian is for long running jobs, with potentially
        random errors. For example, there may be a script that takes several days to
        run on a server, with a 1% chance of some IO error causing the job to fail.
        Using custodian, one can develop a mechanism to gracefully recover from the
        error, and restart the job with modified parameters if necessary.
        
        The current version of Custodian also comes with two sub-packages for error
        handling for Vienna Ab Initio Simulation Package (VASP) and NwChem
        calculations.
        
        Getting custodian
        =================
        
        Stable version
        --------------
        
        The version at the Python Package Index (PyPI) is always the latest stable
        release that will be hopefully, be relatively bug-free. The easiest way to
        install custodian on any system is to use easy_install or pip, as follows::
        
            easy_install custodian
        
        or::
        
            pip install custodian
        
        Some plugins (e.g., vasp management) require additional setup (please see
        `pymatgen's documentation <http://pymatgen.org/>`_).
        
        Developmental version
        ---------------------
        
        The bleeding edge developmental version is at the custodian's `Github repo
        <https://github.com/materialsproject/custodian>`_. The developmental
        version is likely to be more buggy, but may contain new features. The
        Github version include test files as well for complete unit testing. After
        cloning the source, you can type::
        
            python setup.py install
        
        or to install the package in developmental mode::
        
            python setup.py develop
        
        Requirements
        ============
        
        Custodian requires Python 2.7+. There are no other required dependencies.
        
        Optional dependencies
        ---------------------
        
        Optional libraries that are required if you need certain features:
        
        1. pymatgen 2.8.10+: To use the plugins for VASP, NwChem and Qchem. Please
           install using::
        
            pip install pymatgen
        
           For more information, please consult `pymatgen's documentation`_.
        2. nose - For complete unittesting.
        
        Usage
        ===========
        
        Please refer to the `official custodian docs
        <http://pythonhosted.org//custodian>`_ for details on how to use
        custodian.
        
        How to cite custodian
        =====================
        
        If you use custodian in your research, especially the VASP component, please
        consider citing the following work:
        
            Shyue Ping Ong, William Davidson Richards, Anubhav Jain, Geoffroy Hautier,
            Michael Kocher, Shreyas Cholia, Dan Gunter, Vincent Chevrier, Kristin A.
            Persson, Gerbrand Ceder. *Python Materials Genomics (pymatgen) : A Robust,
            Open-Source Python Library for Materials Analysis.* Computational
            Materials Science, 2013, 68, 314–319. `doi:10.1016/j.commatsci.2012.10.028
            <http://dx.doi.org/10.1016/j.commatsci.2012.10.028>`_
        
        License
        =======
        
        Custodian is released under the MIT License. The terms of the license are as
        follows::
        
            The MIT License (MIT)
            Copyright (c) 2011-2012 MIT & LBNL
        
            Permission is hereby granted, free of charge, to any person obtaining a
            copy of this software and associated documentation files (the "Software"),
            to deal in the Software without restriction, including without limitation
            the rights to use, copy, modify, merge, publish, distribute, sublicense,
            and/or sell copies of the Software, and to permit persons to whom the
            Software is furnished to do so, subject to the following conditions:
        
            The above copyright notice and this permission notice shall be included in
            all copies or substantial portions of the Software.
        
            THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
            IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
            FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
            AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
            LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
            FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
            DEALINGS IN THE SOFTWARE.
Keywords: jit,just-in-time,job,management,vasp
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
