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Yambo 5.1.1 #16

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hajgato opened this issue Jul 26, 2022 · 3 comments

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conda difficulty: medium easyconfig enhancement Fortran MPI priority: high site:t1_ugent_hortense site:ugent update

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hajgato commented Jul 26, 2022 •

edited by ItIsI-Orient

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link to support ticket: https://otrsdict.ugent.be/otrs/index.pl?Action=AgentTicketZoom;TicketID=86260
website: https://github.com/yambo-code/yambo/tree/master
installation docs: https://www.yambo-code.eu/wiki/index.php?title=Install_Yambo_on_Ubuntu/LinuxMint_with_Intel_compiler
toolchain: intel/2021b
easyblock to use: ...
required dependencies:
- PETSC
- SLEPC
- HDF5
- netCDF
- netCDF-Fortran
optional dependencies:
notes:
- see https://github.com/easybuilders/easybuild-easyconfigs/blob/develop/easybuild/easyconfigs/y/Yambo/Yambo-5.0.4-intel-2021a.eb for inspiration
- Use external PETSC and SLEPC, watch out for the extra downloaded files (try to use as much external as much is possible
effort: (TBD)

The text was updated successfully, but these errors were encountered:

hajgato added enhancement difficulty: medium Fortran MPI priority: high update site:ugent site:t1_ugent_hortense labels

ItIsI-Orient self-assigned this

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ItIsI-Orient commented Mar 30, 2023

PR open for PETSc and SLEPc:

{numlib}[intel/2021b] SuiteSparse v5.8.1, PETSc v3.18.4, SLEPc v3.18.2 w/ Python 3.9.6 easybuilders/easybuild-easyconfigs#17625

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ItIsI-Orient commented May 16, 2023

PR open:

{phys}[intel/2021b] Yambo v5.1.2 easybuilders/easybuild-easyconfigs#17918

deniskristak added the conda label

boegel added the easyconfig label

boegel added a commit that referenced this issue


          add WIP easyconfig for Yambo 5.1.2 (#16)

9024e22

ItIsI-Orient pushed a commit that referenced this issue


          Work update for #16, #29 and #169

bd4da74

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boegel commented Aug 22, 2023

@ItIsI-Orient PR merged, ready for cleanup & closing...

ItIsI-Orient pushed a commit that referenced this issue


          Work update + closes #16

2dfe590

ItIsI-Orient closed this as completed

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Labels

conda difficulty: medium easyconfig enhancement Fortran MPI priority: high site:t1_ugent_hortense site:ugent update