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Lukas Krupcik 2024-08-19 10:36:54 +02:00
commit 1785568195
1 changed files with 14 additions and 0 deletions
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o/OpenMX/OpenMX-3.9-foss-2022b.eb
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@ -42,14 +42,19 @@ dependencies = [
('ELPA', '2022.05.001'), ('ELPA', '2022.05.001'),
('FFTW', '3.3.10'), ('FFTW', '3.3.10'),
('OpenMPI', '4.1.4'), ('OpenMPI', '4.1.4'),
<<<<<<< HEAD
<<<<<<< HEAD <<<<<<< HEAD
('OpenBLAS', '0.3.21'), ('OpenBLAS', '0.3.21'),
======= =======
>>>>>>> 68e9d9eacfeb69e5e35ca50c309124a475ebae50 >>>>>>> 68e9d9eacfeb69e5e35ca50c309124a475ebae50
=======
('OpenBLAS', '0.3.21'),
>>>>>>> 3938b9c60bc59d837f27e5fa487de341ea90a72f
] ]
files_to_copy = [ files_to_copy = [
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<<<<<<< HEAD <<<<<<< HEAD
('%(sourcepath)s/*', '%(builddir)s/openmx3.9/source'), ('%(sourcepath)s/*', '%(builddir)s/openmx3.9/source'),
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@ -62,6 +67,12 @@ files_to_copy = [
<<<<<<< HEAD <<<<<<< HEAD
=======
('%(sourcepath)s/patch3.9.9.tar.gz', '%(builddir)s/openmx3.9/source'),
('%(sourcepath)s/kpoint.in', '%(sourcepath)s/openmx3.9/work')
]
>>>>>>> 3938b9c60bc59d837f27e5fa487de341ea90a72f
#build_cmd = 'cd %(builddir)s/openmx3.9/source && sed -i "s/-xHOST//g" makefile && sed -i "s/-ip//g" makefile && sed -i "s/-qopenmp/-fopenmp/g" makefile && sed -i "s/-no-prec-div//g" makefile && make CFLAGS="-O3 -fopenmp"' #build_cmd = 'cd %(builddir)s/openmx3.9/source && sed -i "s/-xHOST//g" makefile && sed -i "s/-ip//g" makefile && sed -i "s/-qopenmp/-fopenmp/g" makefile && sed -i "s/-no-prec-div//g" makefile && make CFLAGS="-O3 -fopenmp"'
@ -82,6 +93,7 @@ buildopts = 'CFLAGS="-O3 -fopenmp" \
LIBS="-L/apps/all/OpenBLAS/0.3.21-GCC-12.2.0/lib -lopenblas -L/apps/all/FFTW/3.3.10-GCC-12.2.0/lib -lfftw3 -L/apps/all/ELPA/2022.05.001-foss-2022b/lib -lelpa -lpthread -lm -ldl" \ LIBS="-L/apps/all/OpenBLAS/0.3.21-GCC-12.2.0/lib -lopenblas -L/apps/all/FFTW/3.3.10-GCC-12.2.0/lib -lfftw3 -L/apps/all/ELPA/2022.05.001-foss-2022b/lib -lelpa -lpthread -lm -ldl" \
MPIFC=mpif90 \ MPIFC=mpif90 \
MPICC=mpicc' MPICC=mpicc'
<<<<<<< HEAD
======= =======
build_cmd = 'cd /dev/shm/easybuild/build/OpenMX/3.9/foss-2022b/openmx3.9/source && sed -i "s/-xHOST//g" makefile && sed -i "s/-ip//g" makefile && sed -i "s/-qopenmp/-fopenmp/g" makefile && sed -i "s/-no-prec-div//g" makefile && make CFLAGS="-O3 -fopenmp"' build_cmd = 'cd /dev/shm/easybuild/build/OpenMX/3.9/foss-2022b/openmx3.9/source && sed -i "s/-xHOST//g" makefile && sed -i "s/-ip//g" makefile && sed -i "s/-qopenmp/-fopenmp/g" makefile && sed -i "s/-no-prec-div//g" makefile && make CFLAGS="-O3 -fopenmp"'
@ -90,6 +102,8 @@ build_cmd = 'cd /dev/shm/easybuild/build/OpenMX/3.9/foss-2022b/openmx3.9/source
#buildopts = 'all' #buildopts = 'all'
>>>>>>> 68e9d9eacfeb69e5e35ca50c309124a475ebae50 >>>>>>> 68e9d9eacfeb69e5e35ca50c309124a475ebae50
=======
>>>>>>> 3938b9c60bc59d837f27e5fa487de341ea90a72f
# parallel build tends to fail # parallel build tends to fail
parallel = 0 parallel = 0