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adding GROMACS 2021.5 with foss/2021b to EESSI pilot 2023.06
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xinan1911 committed Jul 31, 2023
1 parent 231a005 commit 0aa5bdb
Showing 1 changed file with 15 additions and 14 deletions.
29 changes: 15 additions & 14 deletions eessi-2023.06-eb-4.7.2-2021b.yml
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easyconfigs:
- GCC-11.2.0
- CMake-3.21.1-GCCcore-11.2.0.eb:
options:
include-easyblocks-from-pr: 2248
- CMake-3.22.1-GCCcore-11.2.0.eb:
options:
include-easyblocks-from-pr: 2248
- zlib-1.2.11-GCCcore-11.2.0
- OpenMPI-4.1.1-GCC-11.2.0
- gompi-2021b
- FlexiBLAS-3.0.4-GCC-11.2.0.eb
- foss-2021b.eb
- QuantumESPRESSO-6.8-foss-2021b.eb
easyconfigs:
- GCC-11.2.0
- CMake-3.21.1-GCCcore-11.2.0.eb:
options:
include-easyblocks-from-pr: 2248
- CMake-3.22.1-GCCcore-11.2.0.eb:
options:
include-easyblocks-from-pr: 2248
- zlib-1.2.11-GCCcore-11.2.0
- OpenMPI-4.1.1-GCC-11.2.0
- gompi-2021b
- FlexiBLAS-3.0.4-GCC-11.2.0.eb
- foss-2021b.eb
- QuantumESPRESSO-6.8-foss-2021b.eb
- GROMACS-2021.5-foss-2021b.eb

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