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new file: v/VASP/VASP-5.4.4-intel-2016a-CUDA-8.0.44-mkl=sequential.eb

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deleted:    v/VASP/VASP-5.4.4-intel-2017a-CUDA-8.0.44-mkl=sequential.eb
This commit is contained in:
Lukáš Krupčík 2017-06-27 08:52:27 +02:00
parent 175969a342
commit 5e4b362b2f
1 changed files with 3 additions and 4 deletions
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v/VASP/VASP-5.4.4-intel-2017a-CUDA-8.0.44-mkl=sequential.eb → v/VASP/VASP-5.4.4-intel-2016a-CUDA-8.0.44-mkl=sequential.eb
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@ -2,7 +2,7 @@ easyblock = 'MakeCp'
name = 'VASP'
version = '5.4.4'
versionsuffix = 'CUDA-8.0.44-mkl=sequential'
versionsuffix = '-CUDA-8.0.44-mkl=sequential'
homepage = 'http://www.vasp.at'
description = """The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale
@ -26,7 +26,6 @@ prebuildopts = 'cp arch/makefile.include.linux_intel ./makefile.include && '
# path to libfftw3xf_intel.a is hardcoded in makefile.include
prebuildopts += 'sed -i "s|\$(MKLROOT)/interfaces/fftw3xf|\$(FFTW_LIB_DIR)|" makefile.include && '
#prebuildopts += 'sed -i "s|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o \$(MKLROOT)/lib/intel64_lin/libfftw3xf_intel.a|" makefile.include && '
# remove mkl flag to prevent mixing dynamic libs with the static libs in LIBBLACS/SCALAPACK
prebuildopts += 'sed -i "s|-mkl=sequential ||" makefile.include && '
@ -49,10 +48,10 @@ buildopts = 'std gam ncl gpu gpu_ncl'
parallel = 1
files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl', 'bin/vasp_gpu_ncl', 'bin/vasp_gpu'], 'bin')]
sanity_check_paths = {
'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'],
'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl', 'bin/vasp_gpu_ncl', 'bin/vasp_gpu'],
'dirs': []
}