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update QuantumESPRESSO easyblock to support version 6.6#2112

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boegel merged 3 commits intoeasybuilders:developfrom
migueldiascosta:20200811093000_new_pr_viMXclJhiW
Sep 8, 2020
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update QuantumESPRESSO easyblock to support version 6.6#2112
boegel merged 3 commits intoeasybuilders:developfrom
migueldiascosta:20200811093000_new_pr_viMXclJhiW

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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
Comment thread easybuild/easyblocks/q/quantumespresso.py Outdated
Comment thread easybuild/easyblocks/q/quantumespresso.py
Comment thread easybuild/easyblocks/q/quantumespresso.py Outdated
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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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