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{chem}[foss/2022a] LAMMPS v23Jun2022, ScaFaCoS v1.0.4, Voro++ v0.4.6, kim-api v2.3.0, archspec v0.1.4#16162

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ocaisa merged 13 commits intoeasybuilders:developfrom
maxim-masterov:LAMMPS
Jun 9, 2023
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{chem}[foss/2022a] LAMMPS v23Jun2022, ScaFaCoS v1.0.4, Voro++ v0.4.6, kim-api v2.3.0, archspec v0.1.4#16162
ocaisa merged 13 commits intoeasybuilders:developfrom
maxim-masterov:LAMMPS

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@maxim-masterov maxim-masterov commented Aug 30, 2022

Add LAMMPS v23Jun2022 and dependencies for the foss/2022a toolchain

Depends on PR #16007

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In the conf-call of https://github.com/easybuilders/easybuild/wiki/Conference-call-notes-20220928 we discussed the FFmpeg version to use in 2022a. The decision was to stick with 4.4.2. Main reasons are to maintain compatibility with the version used in Paraview (which is not yet compatible with 5.X) and to avoid running into other software in the future that would need 4.4.2 (which would create more incompatible modules in the 2022a toolchain). Once 5.X is matured a bit, we can make the jump there in a subsequent toolchain.

@maxim-masterov Could you change the FFmpeg version used in this PR?

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@casparvl done

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ocaisa commented Apr 25, 2023

@maxim-masterov They just released Update 4 for 23Jun2022, since this is not merged yet, would be good to use those sources

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@ocaisa updated LAMMPS version, and PLUMED and VTK dependencies

@SebastianAchilles SebastianAchilles added this to the 4.x milestone May 18, 2023
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Test report by @SebastianAchilles
SUCCESS
Build succeeded for 4 out of 4 (4 easyconfigs in total)
zen2-ubuntu-2304 - Linux Ubuntu 23.04 (Lunar Lobster), x86_64, AMD EPYC 7452 32-Core Processor (zen2), Python 3.11.2
See https://gist.github.com/SebastianAchilles/8fb02d30dd3751e6c773a94eb1c2eb2a for a full test report.

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Test report by @SebastianAchilles
SUCCESS
Build succeeded for 4 out of 4 (4 easyconfigs in total)
bwd-rockylinux-92 - Linux Rocky Linux 9.2 (Blue Onyx), x86_64, Intel(R) Core(TM) i7-6900K CPU @ 3.20GHz (broadwell), 2 x NVIDIA NVIDIA GeForce GTX 1060 6GB, 525.105.17, Python 3.9.16
See https://gist.github.com/SebastianAchilles/90c8291a21b5b7989589f7955d28cb48 for a full test report.

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casparvl commented Jun 9, 2023

Test report by @casparvl
SUCCESS
Build succeeded for 5 out of 5 (4 easyconfigs in total)
tcn37.local.snellius.surf.nl - Linux Rocky Linux 8.7, x86_64, AMD EPYC 7H12 64-Core Processor, Python 3.6.8
See https://gist.github.com/casparvl/dd65fbcece6961dd6264b9a3631e5377 for a full test report.

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Lots of successful builds here, going in!

@ocaisa ocaisa merged commit 23d8b2e into easybuilders:develop Jun 9, 2023
@boegel boegel modified the milestones: 4.x, next release (4.7.3?) Jun 23, 2023
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6 participants