Commit 9e1a4417 authored by Lukáš Krupčík's avatar Lukáš Krupčík
Browse files

new file: i/IOTK/IOTK-1.2.2-intel-2020b.eb

	new file:   n/netCDF-Fortran/netCDF-Fortran-4.5.3-intel-2020b.eb
	new file:   y/Yambo/Yambo-5.0.0-intel-2020a.eb
parent 0e461a61
Pipeline #17771 passed with stage
in 8 seconds
# IT4Innovations
# LK
easyblock = 'MakeCp'
name = 'IOTK'
version = '1.2.2'
homepage = 'https://github.com/QEF/iotk/tree/master/iotk'
description = """The input/output tool kit (IOTK) is a Fortran90 library intended to provide a
simplified access to tagged files formatted using some specific rule."""
source_urls = ['https://github.com/yambo-code/yambo/files/962173']
sources = ['iotk-y1.2.2.tar.gz']
toolchain = {'name': 'intel', 'version': '2020b'}
patches = ['IOTK-intel-2020a.patch']
with_configure = True
buildopts = 'all'
maxparallel = 1
files_to_copy = [
(['include/*'], 'include'),
(['src/*.x'], 'bin'),
(['src/*.a'], 'lib'),
(['src/*'], 'src'),
]
sanity_check_paths = {
'files': [],
'dirs': ['bin', 'include', 'lib'],
}
moduleclass = 'lib'
# IT4Innovations 2021
# LK
name = 'netCDF-Fortran'
version = '4.5.3'
homepage = 'https://www.unidata.ucar.edu/software/netcdf/'
description = """NetCDF (network Common Data Form) is a set of software libraries
and machine-independent data formats that support the creation, access, and sharing of array-oriented
scientific data."""
toolchain = {'name': 'intel', 'version': '2020b'}
toolchainopts = {'pic': True, 'usempi': True}
source_urls = ['https://github.com/Unidata/netcdf-fortran/archive/']
sources = ['v%(version)s.tar.gz']
builddependencies = [
('M4', '1.4.18'),
]
dependencies = [('netCDF', '4.7.4')]
# (too) parallel build fails, but single-core build is fairly quick anyway (~1min)
parallel = 1
moduleclass = 'data'
# IT4Innovations 2021
# LK
easyblock = 'MakeCp'
name = 'Yambo'
version = '5.0.0'
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 --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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