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"author": "Shyue Ping Ong, William Davidson Richards, Stephen Dacek, Xiaohui Qu, Matthew Horton, Samuel M. Blau",
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"Programming Language :: Python :: 2.7",
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"description": ":target: https://circleci.com/gh/materialsproject/custodian/tree/master\n \nCustodian is a simple, robust and flexible just-in-time (JIT) job management\nframework written in Python. Using custodian, you can create wrappers that\nperform error checking, job management and error recovery. It has a simple\nplugin framework that allows you to develop specific job management workflows\nfor different applications.\n\nError recovery is an important aspect of many *high-throughput* projects that\ngenerate data on a large scale. When you are running on the order of hundreds\nof thousands of jobs, even an error-rate of 1% would mean thousands of errored\njobs that would be impossible to deal with on a case-by-case basis.\n\nThe specific use case for custodian is for long running jobs, with potentially\nrandom errors. For example, there may be a script that takes several days to\nrun on a server, with a 1% chance of some IO error causing the job to fail.\nUsing custodian, one can develop a mechanism to gracefully recover from the\nerror, and restart the job with modified parameters if necessary.\n\nThe current version of Custodian also comes with two sub-packages for error\nhandling for Vienna Ab Initio Simulation Package (VASP) and NwChem\ncalculations.\n\nGetting custodian\n=================\n\nStable version\n--------------\n\nThe version at the Python Package Index (PyPI) is always the latest stable\nrelease that will be hopefully, be relatively bug-free. Install as follows::\n\n pip install custodian\n\nSome plugins (e.g., vasp management) require additional setup (please see\n`pymatgen's documentation `_).\n\nDevelopmental version\n---------------------\n\nThe bleeding edge developmental version is at the custodian's `Github repo\n`_. The developmental\nversion is likely to be more buggy, but may contain new features. The\nGithub version include test files as well for complete unit testing. After\ncloning the source, you can type::\n\n python setup.py install\n\nor to install the package in developmental mode::\n\n python setup.py develop\n\nRequirements\n============\n\nCustodian supports Python 2.7+ and 3+. There are no other required dependencies.\nHowever, if you wish to use many of the built-in error handlers and Jobs for\nVASP, NWChem, QChem, etc., you will likely need pymatgen to be install as well.\n\nOptional dependencies\n---------------------\n\nOptional libraries that are required if you need certain features:\n\n1. pymatgen 2018.+: To use the plugins for VASP, NwChem and Qchem. Please\n install using::\n\n pip install pymatgen\n\n For more information, please consult `pymatgen's documentation`_.\n2. nose - For complete unittesting.\n\nUsage\n=====\n\nPlease refer to the `official custodian docs\n`_ for details on how to use\ncustodian.\n\nHow to cite custodian\n=====================\n\nIf you use custodian in your research, especially the VASP component, please\nconsider citing the following work:\n\n Shyue Ping Ong, William Davidson Richards, Anubhav Jain, Geoffroy Hautier,\n Michael Kocher, Shreyas Cholia, Dan Gunter, Vincent Chevrier, Kristin A.\n Persson, Gerbrand Ceder. *Python Materials Genomics (pymatgen) : A Robust,\n Open-Source Python Library for Materials Analysis.* Computational\n Materials Science, 2013, 68, 314-319. `doi:10.1016/j.commatsci.2012.10.028\n `_\n\nLicense\n=======\n\nCustodian is released under the MIT License. The terms of the license are as\nfollows::\n\n The MIT License (MIT)\n Copyright (c) 2011-2012 MIT & LBNL\n\n Permission is hereby granted, free of charge, to any person obtaining a\n copy of this software and associated documentation files (the \"Software\"),\n to deal in the Software without restriction, including without limitation\n the rights to use, copy, modify, merge, publish, distribute, sublicense,\n and/or sell copies of the Software, and to permit persons to whom the\n Software is furnished to do so, subject to the following conditions:\n\n The above copyright notice and this permission notice shall be included in\n all copies or substantial portions of the Software.\n\n THE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR\n IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,\n FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE\n AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER\n LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING\n FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER\n DEALINGS IN THE SOFTWARE.",
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