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modified: d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb

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Lukas Krupcik 2025-03-25 07:54:27 +01:00
parent b4c4fb0618
commit ab2d7ead01
1 changed files with 2 additions and 2 deletions
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d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb
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@ -42,7 +42,7 @@ dependencies = [
('PLUMED', '2.9.0'),
]
configopts = "-DWITH_MPI=ON -DWITH_PLUMED=ON -DWITH_TBLITE=ON "
configopts = "-DWITH_MPI=ON -DWITH_OMP=1 -DWITH_PLUMED=ON -DWITH_TBLITE=ON "
configopts += '-DSCALAPACK_LIBRARY="$LIBSCALAPACK" '
@ -52,4 +52,4 @@ sanity_check_paths = {
'dirs': ['lib']
}
moduleclass = 'phys'
moduleclass = 'phys'