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{bio}[foss/2020a] GROMACS v2020.1 w/ Python 3.8.2 #10026

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merged 7 commits into from
May 19, 2020
Merged

{bio}[foss/2020a] GROMACS v2020.1 w/ Python 3.8.2 #10026

merged 7 commits into from
May 19, 2020

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akesandgren
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@akesandgren akesandgren commented Mar 9, 2020 •
edited by boegel
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(created using eb --new-pr)

Depends on easybuilders/easybuild-framework#3237 and easybuilders/easybuild-easyblocks#1991

This includes support for the gmxapi extension.

@akesandgren
adding easyconfigs: GROMACS-2020.1-foss-2020a-rc3-Python-3.8.2.eb and…
7ff5e13 
… patches: GROMACS-2020.1_dont_override_pythonpath_in_tests.patch, gmxapi-0.1.0.1_drop_cmake_requirement.patch
@akesandgren akesandgren mentioned this pull request Mar 9, 2020
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@akesandgren akesandgren added the 2020a before 2020a is released label Mar 9, 2020
@akesandgren akesandgren added this to the 2020a milestone Mar 9, 2020
@akesandgren akesandgren mentioned this pull request Mar 9, 2020
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@boegel boegel mentioned this pull request Mar 9, 2020
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Test report by @akesandgren
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
b-an03.hpc2n.umu.se - Linux ubuntu 16.04, Intel(R) Xeon(R) CPU E5-2690 v4 @ 2.60GHz, Python 2.7.12
See https://gist.github.com/148821a2e595e5de84bf8e31995535f1 for a full test report.

@akesandgren akesandgren changed the title {bio}[foss/2020a-rc3] GROMACS v2020.1 w/ Python 3.8.2 {bio}[foss/2020a] GROMACS v2020.1 w/ Python 3.8.2 Mar 17, 2020
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zao commented Mar 17, 2020

Test report by @zao
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in this PR)
freja - Linux ubuntu 18.04, Intel(R) Core(TM) i7-8700K CPU @ 3.70GHz, Python 2.7.17
See https://gist.github.com/fdaba83244645a8598d95292555abe44 for a full test report.

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zao commented Mar 17, 2020

Test report by @zao
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in this PR)
freja - Linux ubuntu 18.04, Intel(R) Core(TM) i7-8700K CPU @ 3.70GHz, Python 2.7.17
See https://gist.github.com/e241b66c87536b98ff37a35f7acc5c21 for a full test report.

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zao commented Mar 18, 2020

Test report by @zao
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
freja - Linux ubuntu 18.04, Intel(R) Core(TM) i7-8700K CPU @ 3.70GHz, Python 2.7.17
See https://gist.github.com/1f09b96e930ebeb73618a616726c2413 for a full test report.

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Test report by @akesandgren
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
b-an04.hpc2n.umu.se - Linux ubuntu 16.04, Intel(R) Xeon(R) CPU E5-2690 v4 @ 2.60GHz, Python 2.7.12
See https://gist.github.com/cd78be9895e0297ba58db9c285f6c5a2 for a full test report.

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Test report by @migueldiascosta
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
sms - Linux centos linux 7.6.1810, AMD EPYC 7601 32-Core Processor, Python 2.7.5
See https://gist.github.com/d8c5c936cb00451dc46a2d1e1f367924 for a full test report.

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akesandgren commented May 12, 2020 •
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Test report by @akesandgren
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
b-an03.hpc2n.umu.se - Linux ubuntu 16.04, x86_64, Intel(R) Xeon(R) CPU E5-2690 v4 @ 2.60GHz, Python 2.7.12
See https://gist.github.com/b0dfa11fcb17a9dd98e71dbb67e3d4c4 for a full test report.

Built using easybuilders/easybuild-easyblocks#1991

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Test report by @migueldiascosta
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
generoso - Linux centos linux 7.6.1810, x86_64, Intel(R) Xeon(R) CPU E5-2660 v4 @ 2.00GHz, Python 3.6.8
See https://gist.github.com/c5c963b2ce998ed4a9e0aff316295013 for a full test report.

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boegel commented May 19, 2020

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
node3401.kirlia.os - Linux centos linux 7.7.1908, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz (cascadelake), Python 2.7.5
See https://gist.github.com/34c8f2c1b785c2a825555bc6d6c8a1c1 for a full test report.

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boegel approved these changes May 19, 2020
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lgtm

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boegel commented May 19, 2020

Going in, thanks @akesandgren!

@boegel boegel merged commit 1e06c55 into easybuilders:2020a May 19, 2020
@akesandgren akesandgren deleted the 20200309202120_new_pr_GROMACS20201 branch May 19, 2020 11:49
@boegel boegel mentioned this pull request May 19, 2020
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