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update QuantumESPRESSO easyblock to support version 6.6 #2112

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migueldiascosta
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@migueldiascosta migueldiascosta commented Aug 11, 2020

(created using eb --new-pr)

edit: also fixes #2122

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@boegel boegel added the update label Aug 14, 2020
@boegel boegel changed the title update QE easyblock to support version 6.6 update QuantumESPRESSO easyblock to support version 6.6 Aug 14, 2020
@boegel boegel added this to the next release (4.2.3?) milestone Aug 14, 2020
easybuild/easyblocks/q/quantumespresso.py Outdated Show resolved Hide resolved
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boegel commented Sep 8, 2020

tested with a wide range of existing QuantumESPRESSO easyconfigs:

  • QuantumESPRESSO-5.4.0-foss-2016b-hybrid.eb
  • QuantumESPRESSO-6.2-intel-2017b.eb
  • QuantumESPRESSO-6.4.1-intel-2019a.eb
  • QuantumESPRESSO-6.5-intel-2019a.eb

@boegel boegel merged commit 9885496 into easybuilders:develop Sep 8, 2020
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Sanity check fails for the d3q plugin in QE 6.4 and later as the list of binaries is wrong.
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