{ "info": { "author": "Maxim Stolyarchuk", "author_email": "maxim.stolyarchuk@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 4 - Beta", "Intended Audience :: Developers", "Intended Audience :: Science/Research", "License :: OSI Approved :: GNU Library or Lesser General Public License (LGPL)", "Programming Language :: Python", "Programming Language :: Python :: 3", "Topic :: Software Development :: Libraries :: Python Modules" ], "description": "kfreader-cffi\n===================\n\n.. image:: https://travis-ci.org/mstolyarchuk/kfreader-cffi.svg?branch=master\n :target: https://travis-ci.org/mstolyarchuk/kfreader-cffi\n\nkfreader-cffi is a Python package for reading binary result files produced by\nthe Amsterdam Density Functional (ADF) program suite (http://scm.com). Instead of kf.py_, this package does not require working ADF installation.\n\nIt uses CFFI_ to interface with the original C library KFReader_.\n\nInstallation\n------------\n\n*Note that kfreader-cffi currently is only tested under Python 3.x on Ubuntu*\n\nFirst we need to install some prerequisites:\n\n.. code:: sh\n\n apt-get update\n apt-get install build-essential gcc libffi-dev python3-dev\n\nThen to install the package, simply:\n\n.. code:: sh\n\n pip install kfreader-cffi\n \nOr for development:\n\n.. code:: sh\n \n git clone https://github.com/mstolyarchuk/kfreader-cffi\n pip install -e kfreader-cffi\n\nShared library ``libkfreader.so`` will be *automatically* built from C source files\nprovided in /vendor directory during the installation process\n(see ``Makefile`` for details).\n \nNow you are ready to go!\n\nGetting started\n---------------\n\nBefore attempting to use this package, you might find the official\ndocumentation_ on TAPE21 useful.\n\nUsage\n^^^^^\n\n.. code:: python\n\n\t>>> from kfreader import KFReader, kfropen\n\t\n\t# Open a TAPE21 file.\n\t>>> kfr = KFReader('file.t21')\n\t# Get the value of a variable given its section and name.\n\t>>> kfr.get_data('General', 'file-ident')\n\t'TAPE21'\n\t>>> kfr.close()\n\t\n\t# We can also seamlessly use the with-statement.\n\t# Let's simplify the above example:\n\t>>> with kfropen('file.t21') as kfr:\n\t>>>\t# Use the reader as regular. The file will be closed\n\t>>> # when the block ends.\n\t>>> print(kfr.get_data('General', 'termination status'))\n\t'NORMAL TERMINATION'\n\nAcknowledgments\n---------------\n\nMany thanks to Alexei Yakovlev and all the other developers (http://scm.com) of the original C routines.\nThis package would not exist without their work.\n\n.. _kf.py: http://www.scm.com/Downloads/2014/\n.. _CFFI: https://cffi.readthedocs.org/\n.. _KFReader: http://www.scm.com/Downloads/2014/\n.. _documentation: https://www.scm.com/documentation/ADF/Appendices/TAPE21/\n", "description_content_type": null, "docs_url": null, "download_url": "UNKNOWN", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/mstolyarchuk/kfreader-cffi", "keywords": null, "license": "UNKNOWN", "maintainer": null, "maintainer_email": null, "name": "kfreader-cffi", "package_url": "https://pypi.org/project/kfreader-cffi/", "platform": "UNKNOWN", "project_url": "https://pypi.org/project/kfreader-cffi/", "project_urls": { "Download": "UNKNOWN", "Homepage": "https://github.com/mstolyarchuk/kfreader-cffi" }, "release_url": "https://pypi.org/project/kfreader-cffi/0.2.4/", "requires_dist": null, "requires_python": null, "summary": "Python bindings for KFReader, a library from the ADF computational chemistry package", "version": "0.2.4" }, "last_serial": 2204422, "releases": { "0.2.1": [ { "comment_text": "", "digests": { "md5": "b271ebf955f3d384dc5f180a0547a3f9", "sha256": "e10718947e94078c0fc0c8538fc078b74d12f953bb76dfa6abd572552ee1d9d8" }, "downloads": -1, "filename": "kfreader-cffi-0.2.1.tar.gz", "has_sig": false, "md5_digest": "b271ebf955f3d384dc5f180a0547a3f9", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 3085, "upload_time": "2015-07-19T01:21:06", "url": "https://files.pythonhosted.org/packages/85/5a/d62a8c68930dae847f798548d36f90b9300c63177cd3bf6a569d442f8250/kfreader-cffi-0.2.1.tar.gz" } ], "0.2.2": [ { "comment_text": "", "digests": { "md5": "ec6ac65417590bb0e6470f7fc6b24ac7", "sha256": "d800b5eca8a9a984dea29e63481e5a04385976c8e0c24426c6b9feb63feffe1b" }, "downloads": -1, "filename": "kfreader-cffi-0.2.2.tar.gz", "has_sig": false, "md5_digest": "ec6ac65417590bb0e6470f7fc6b24ac7", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 21686, "upload_time": "2015-07-19T20:14:17", "url": "https://files.pythonhosted.org/packages/32/39/ac655df234f48fb14b33ddb73db454709d274a38b23589d7e22e5e8d9032/kfreader-cffi-0.2.2.tar.gz" } ], "0.2.3": [ { "comment_text": "", "digests": { "md5": "83bb2accc3bca5bb07046c73a86010a1", "sha256": "35876925838fd6a4a83a3de612d155cfae08a7f7854e93b606470afed6bff68a" }, "downloads": -1, "filename": "kfreader-cffi-0.2.3.tar.gz", "has_sig": false, "md5_digest": "83bb2accc3bca5bb07046c73a86010a1", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 21760, "upload_time": "2015-07-21T11:22:08", "url": "https://files.pythonhosted.org/packages/94/bc/9d6f548ee88b99626a2abae516d96f171df73fc85675a9ad44248ef55e4d/kfreader-cffi-0.2.3.tar.gz" } ], "0.2.4": [ { "comment_text": "", "digests": { "md5": "b07e0f56c3bc0b72f1d0497326f62b5b", "sha256": "8f33165ab1269fa78fd2dc976b3238199396b6db3f490089280fdcc7a47d7f53" }, "downloads": -1, "filename": "kfreader-cffi-0.2.4.tar.gz", "has_sig": false, "md5_digest": "b07e0f56c3bc0b72f1d0497326f62b5b", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 22177, "upload_time": "2016-07-05T20:42:06", "url": "https://files.pythonhosted.org/packages/d0/fe/243eae18a5e6b6bd400bd4349a774dd930b2dc3b96aeb4dfee1ff0619adf/kfreader-cffi-0.2.4.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "b07e0f56c3bc0b72f1d0497326f62b5b", "sha256": "8f33165ab1269fa78fd2dc976b3238199396b6db3f490089280fdcc7a47d7f53" }, "downloads": -1, "filename": "kfreader-cffi-0.2.4.tar.gz", "has_sig": false, "md5_digest": "b07e0f56c3bc0b72f1d0497326f62b5b", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 22177, "upload_time": "2016-07-05T20:42:06", "url": "https://files.pythonhosted.org/packages/d0/fe/243eae18a5e6b6bd400bd4349a774dd930b2dc3b96aeb4dfee1ff0619adf/kfreader-cffi-0.2.4.tar.gz" } ] }