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    "info": {
        "author": "Lukasz Mentel",
        "author_email": "lmmentel@gmail.com",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 3 - Alpha",
            "Environment :: Console",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
            "Natural Language :: English",
            "Programming Language :: Python",
            "Programming Language :: Python :: 2",
            "Programming Language :: Python :: 3",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Scientific/Engineering :: Physics"
        ],
        "description": "# ase-espresso\n\n[![Documentation](https://readthedocs.org/projects/ase-espresso/badge/?version=latest)](http://ase-espresso.readthedocs.io/en/latest/?badge=latest)\n\n[ase-espresso](https://github.com/lmmentel/ase-espresso) provides a Python interface compatible with\n[Atomic Simulation Environment (ASE)][ase] for manging calculations with the [Quantum Espresso] code.\n\nThis is a fork from [vossjo][vossjo-ae] that offers a lot of improvements over the original version,\nthe most important ones include:\n\n- the files were restructured into a python package\n- a `setup.py` file was introduced to allow installation through [pip] or [setuptools]\n- configuration for the documentation is provided through [sphinx] and a lot of docstrings were updated\n- the `site.cfg` is obsolete now, and no additional configuration is required, the functionality is replaced\n  by a new `SiteConfig` class that dynamically gathers information about the execution environment \n- the old `espresso` class is now split into two: `Espresso` preserving the standard functionality and\n  `iEspresso` responsible for dynamic/interactive jobs with a custom version of pw.x\n- changes were made to establish python 3.x compatibility\n- the `Espresso` class were restructured according to [ase] guidelines regarding calculator objects to\n  support full compatibility with [ase]\n- most of the system call are now handled by [pexpect] and [subprocess] instead of the old `os.system`,\n  `os.popen()`, `os.popen2()`, `os.popen3()`\n- tests were added\n- code style and readability were improved\n\n\n# Installation\n\n## Dependencies\n\n- [Atomic Simulation Environment (ASE)][ase] [version 3.11.0](https://wiki.fysik.dtu.dk/ase/releasenotes.html#releasenotes) \n- [numpy]\n- [pexpect]\n- [future]\n- [path.py]\n- [python-hostlist]\n\nThe recommended installation method is with [pip]. The current\nversion can be installed directly from [github]:\n\n```bash\npip install https://github.com/lmmentel/ase-espresso/archive/master.zip\n```\nor cloned first\n```bash\ngit clone https://github.com/lmmentel/ase-espresso.git\n```\nand installed via\n```bash\npip install ./ase-espresso\n```\n\n[ase]: https://wiki.fysik.dtu.dk/ase/index.html\n[future]: http://python-future.org/\n[github]: https://github.com/lmmentel/ase-espresso\n[python-hostlist]: https://www.nsc.liu.se/~kent/python-hostlist/\n[numpy]: http://www.numpy.org/\n[path.py]: https://github.com/jaraco/path.py\n[pip]: https://pip.pypa.io/en/stable/\n[pexpect]: https://pexpect.readthedocs.io/en/stable\n[setuptools]: https://pypi.python.org/pypi/setuptools\n[sphinx]: http://www.sphinx-doc.org/en/stable/\n[subprocess]: https://docs.python.org/2/library/subprocess.html\n[vossjo-ae]: https://github.com/vossjo/ase-espresso\n[Quantum Espresso]: http://www.quantum-espresso.org/\n[wiki]: https://github.com/vossjo/ase-espresso/wiki\n\n## Documentation\n\nThe documentation is hosted on [ase-espresso.readthedocs.io](http://ase-espresso.readthedocs.io/en/latest/).\n\nYou can also generate the documentation locally using [sphinx]\nby going to the ``docs`` directory and typing:\n\n```bash\nmake html\n```\n\nThe built documentation can be viewed in a any browser\n```bash\nfirefox build/html/index.html\n```",
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        "keywords": "chemistry physics quantum mechanics solid state",
        "license": "GPLv3",
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        "name": "aseqe",
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        "summary": "Python API for the Quantum Espresso software",
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