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{chem}[intel/2017b] QuantumESPRESSO v6.2 update: don't use external FoX dependency#6638

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migueldiascosta merged 1 commit intoeasybuilders:developfrom
akesandgren:20180807073347_new_pr_QuantumESPRESSO62
Aug 7, 2018
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{chem}[intel/2017b] QuantumESPRESSO v6.2 update: don't use external FoX dependency#6638
migueldiascosta merged 1 commit intoeasybuilders:developfrom
akesandgren:20180807073347_new_pr_QuantumESPRESSO62

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@akesandgren akesandgren commented Aug 7, 2018 •
edited by boegel
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(created using eb --new-pr)
Update of QE 6.2 easyconfig to not use external FoX. This is a preparatory update to be able to commit easybuilders/easybuild-easyblocks#1312

@akesandgren akesandgren mentioned this pull request Aug 7, 2018
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migueldiascosta commented Aug 7, 2018

Test report by @migueldiascosta
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
grc-cluster1 - Linux centos 6.9, Intel(R) Xeon(R) CPU E5-2640 0 @ 2.50GHz, Python 2.7.14
See https://gist.github.com/2fff888ddb4328d7c2dec4351822ab0f for a full test report.

@migueldiascosta migueldiascosta added this to the 3.6.3 milestone Aug 7, 2018
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migueldiascosta approved these changes Aug 7, 2018
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lgtm

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migueldiascosta commented Aug 7, 2018

Test report by @migueldiascosta
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
grc-cluster1 - Linux centos 6.9, Intel(R) Xeon(R) CPU E5-2640 0 @ 2.50GHz, Python 2.7.14
See https://gist.github.com/01e2f75cdf5c55a779ca75706a8cf6b5 for a full test report.

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migueldiascosta commented Aug 7, 2018

Going in, thanks @akesandgren!

@migueldiascosta migueldiascosta merged commit 1154435 into easybuilders:develop Aug 7, 2018
@akesandgren akesandgren deleted the 20180807073347_new_pr_QuantumESPRESSO62 branch August 7, 2018 08:41
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boegel commented Aug 9, 2018

@akesandgren Can you clarify why you dropped the FoX dependency and preferred the 'built-in' one?

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akesandgren commented Aug 9, 2018 •
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As is described in easybuilders/easybuild-easyblocks@e9bc3d2

====
Do not use external FoX in quantumespresso.

FoX starts to be used in 6.2 and they use a patched version that
is newer than FoX 4.1.2 which is the latest release.
====

@boegel boegel changed the title {chem}[intel/2017b] QuantumESPRESSO v6.2 update {chem}[intel/2017b] QuantumESPRESSO v6.2 update: don't use external FoX dependency Aug 18, 2018
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