[WIP] Adding Quantum ESPRESSO v6.6 (#18091)
* Adding v6.6 (latest stable) * There is no '-' in Quantum ESPRESSO Co-authored-by: Filippo Spiga <fspiga@nvidia.com>
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class QuantumEspresso(Package):
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class QuantumEspresso(Package):
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"""Quantum-ESPRESSO is an integrated suite of Open-Source computer codes
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"""Quantum ESPRESSO is an integrated suite of Open-Source computer codes
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for electronic-structure calculations and materials modeling at the
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for electronic-structure calculations and materials modeling at the
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nanoscale. It is based on density-functional theory, plane waves, and
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nanoscale. It is based on density-functional theory, plane waves, and
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pseudopotentials.
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pseudopotentials.
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"""
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"""
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homepage = 'http://quantum-espresso.org'
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homepage = 'http://quantum-espresso.org'
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url = 'https://gitlab.com/QEF/q-e/-/archive/qe-6.5/q-e-qe-6.5.tar.gz'
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url = 'https://gitlab.com/QEF/q-e/-/archive/qe-6.6/q-e-qe-6.6.tar.gz'
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git = 'https://gitlab.com/QEF/q-e.git'
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git = 'https://gitlab.com/QEF/q-e.git'
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maintainers = ['naromero77']
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maintainers = ['naromero77']
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version('develop', branch='develop')
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version('develop', branch='develop')
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version('6.6', sha256='924656cb083f52e5d2fe71ade05881389dac64b45316f1bdd6dee1c6170a672c', preferred=True)
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version('6.5', sha256='258b2a8a6280e86dad779e5c56356d8b35dc96d12ff33dabeee914bc03d6d602')
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version('6.5', sha256='258b2a8a6280e86dad779e5c56356d8b35dc96d12ff33dabeee914bc03d6d602')
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version('6.4.1', sha256='b0d7e9f617b848753ad923d8c6ca5490d5d82495f82b032b71a0ff2f2e9cfa08')
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version('6.4.1', sha256='b0d7e9f617b848753ad923d8c6ca5490d5d82495f82b032b71a0ff2f2e9cfa08')
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version('6.4', sha256='781366d03da75516fdcf9100a1caadb26ccdd1dedd942a6f8595ff0edca74bfe')
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version('6.4', sha256='781366d03da75516fdcf9100a1caadb26ccdd1dedd942a6f8595ff0edca74bfe')
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