From ab2d7ead01c7db704300a5f4232c20acde14c4a9 Mon Sep 17 00:00:00 2001 From: Lukas Krupcik Date: Tue, 25 Mar 2025 07:54:27 +0100 Subject: [PATCH] modified: d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb --- d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb b/d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb index c6c8783f..736cdddb 100644 --- a/d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb +++ b/d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb @@ -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' \ No newline at end of file +moduleclass = 'phys'