Commit 7a6134db authored by Lukáš Krupčík's avatar Lukáš Krupčík
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Merge branch 'it4i-salomon'

parents 0ad158b2 9260d175
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# IInnovations 2021
# LK
easyblock = 'MakeCp'
name = 'Yambo'
version = '4.2.3'
homepage = 'http://www.yambo-code.org'
description = """Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics.
Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: abinit, and PWscf."""
toolchain = {'name': 'intel', 'version': '2020a'}
toolchainopts = {'usempi': True}
source_urls = ['https://github.com/yambo-code/yambo/archive']
sources = ["%(version)s.tar.gz"]
dependencies = [
('netCDF-Fortran', '4.5.2'),
('libxc', '2.2.3'),
('IOTK', '1.2.2'),
]
#with_configure = True
#configopts = 'CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" '
#configopts += '--with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" '
#configopts += '--with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" '
#configopts += '--with-netcdf-libs="-lnetcdff -lnetcdf" '
#configopts += '--with-hdf5-path=$EBROOTHDF5 '
#configopts += '--with-libxc-path=$EBROOTLIBXC '
#configopts += '--enable-iotk '
#onfigopts += '--with-iotk-path=$EBROOTIOTK '
#configopts += '--enable-dp --enable-memory-profile --disable-open-mp '
prebuildopts = './configure --build=x86_64-pc-linux-gnu --host=x86_64-pc-linux-gnu CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" --with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" --with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" --with-netcdf-libs="-lnetcdff -lnetcdf" --with-hdf5-path=$EBROOTHDF5 --with-libxc-path=$EBROOTLIBXC --enable-iotk --with-iotk-path=$EBROOTIOTK --with-p2y-version=qexsd --enable-dp --enable-memory-profile --disable-open-mp && '
buildopts = 'all'
parallel = 1
files_to_copy = [
(['bin/*'], 'bin'),
(['lib/*.a'], 'lib'),
(['include/*'], 'include'),
]
sanity_check_paths = {
'files': ['bin/' + x for x in ['a2y', 'p2y', 'yambo', 'ypp']],
'dirs': []
}
moduleclass = 'phys'
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