Wannier90/3.1.0-cpeGNU-21.09 (Wannier90-3.1.0-cpeGNU-21.09.eb)
This software is archived in the LUMI-SoftwareStack GitHub repository as easybuild/easyconfigs/__archive__/w/Wannier90/Wannier90-3.1.0-cpeGNU-21.09.eb. The corresponding module would be Wannier90/3.1.0-cpeGNU-21.09.
easyblock = 'MakeCp'
name = 'Wannier90'
version = '3.1.0'
homepage = 'http://www.wannier.org'
description = "A tool for obtaining maximally-localised Wannier functions"
toolchain = {'name': 'cpeGNU', 'version': '21.09'}
toolchainopts = {'usempi': True}
source_urls = ['https://github.com/wannier-developers/%(namelower)s/archive/']
sources = ['v3.1.0.tar.gz']
patches = ['Wannier90_3x_ignore_makeinc.patch']
checksums = [
'40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254', # wannier90-3.1.0.tar.gz
'561c0d296e0e30b8bb303702cd6e41ded54c153d9b9e6cd9cab73858e5e2945e', # Wannier90_3x_ignore_makeinc.patch
]
# The -fallow-argument-mismatch allows MPI communication calls to be
# called with arrays of different types at different places in the
# code. This otherwise cause an error in GCC 10.X
buildopts = 'all F90=$F90 MPIF90=$MPIF90 FCOPTS="$FFLAGS -fallow-argument-mismatch" LDOPTS="$FFLAGS" '
#buildopts = 'all F90=$F90 MPIF90=$MPIF90 FCOPTS="$FFLAGS" LDOPTS="$FFLAGS" '
buildopts += 'LIBDIR="$LAPACK_LIB_DIR" LIBS="$LIBLAPACK" '
buildopts += 'COMMS=mpi'
files_to_copy = [
(['postw90.x', '%(namelower)s.x'], 'bin'),
(['libwannier.a'], 'lib'),
]
sanity_check_paths = {
'files': ['bin/postw90.x', 'bin/%(namelower)s.x', 'lib/libwannier.a'],
'dirs': [],
}
moduleclass = 'chem'