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Commit b90c57be authored by Ruth Partzsch's avatar Ruth Partzsch
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add easyblock

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##
# Copyright 2009-2022 Ghent University
#
# This file is part of EasyBuild,
# originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),
# with support of Ghent University (http://ugent.be/hpc),
# the Flemish Supercomputer Centre (VSC) (https://www.vscentrum.be),
# Flemish Research Foundation (FWO) (http://www.fwo.be/en)
# and the Department of Economy, Science and Innovation (EWI) (http://www.ewi-vlaanderen.be/en).
#
# https://github.com/easybuilders/easybuild
#
# EasyBuild is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation v2.
#
# EasyBuild is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with EasyBuild. If not, see <http://www.gnu.org/licenses/>.
##
"""
EasyBuild support for Hypre, implemented as an easyblock
@author: Kenneth Hoste (Ghent University)
@author: Mikael OEhman (Chalmers University of Technology)
@author: Alex Domingo (Vrije Universiteit Brussel)
@author: Simon Branford (University of Birmingham)
"""
import os
from easybuild.easyblocks.generic.configuremake import ConfigureMake
from easybuild.tools.build_log import EasyBuildError
from easybuild.tools.config import build_option
from easybuild.tools.modules import get_software_root
from easybuild.tools.systemtools import get_shared_lib_ext
from easybuild.framework.easyconfig import CUSTOM
from easybuild.framework.easyblock import EasyBlock
class EB_Hypre(ConfigureMake):
"""Support for building Hypre."""
@staticmethod
def extra_options():
"""Add extra easyconfig parameters custom to CHARMM."""
extra_vars = {
'disable_cuda': [False, "Force disabling CUDA", CUSTOM]
}
return EasyBlock.extra_options(extra_vars)
def __init__(self, *args, **kwargs):
"""Easyblock constructor."""
super(EB_Hypre, self).__init__(*args, **kwargs)
self.config_shared = False
self.config_static = False
def configure_step(self):
"""Configure Hypre build after setting extra configure options."""
if '--enable-shared' in self.cfg['configopts']:
self.config_shared = True
ext_libs = 'LIB%s'
else:
self.config_static = True
ext_libs = '%s_STATIC_LIBS'
# Use BLAS/LAPACK from EB
for dep in ["BLAS", "LAPACK"]:
blas_libs = ' '.join(os.getenv(ext_libs % dep).split(','))
blas_libs = blas_libs.replace('-l', '') # Remove any '-l' as those are prepended for shared builds
self.cfg.update('configopts', '--with-%s-libs="%s"' % (dep.lower(), blas_libs))
self.cfg.update('configopts', '--with-%s-lib-dirs="%s"' % (dep.lower(),
os.getenv('%s_LIB_DIR' % dep)))
# Use MPI implementation from EB
self.cfg.update('configopts', '--with-MPI-include=%s' % os.getenv('MPI_INC_DIR'))
if (get_software_root('CUDA') and not(self.cfg['disable_cuda'])):
self.cfg.update('configopts', '--with-cuda')
cuda_cc = build_option('cuda_compute_capabilities') or self.cfg['cuda_compute_capabilities']
if not cuda_cc:
raise EasyBuildError('List of CUDA compute capabilities must be specified, either via '
'cuda_compute_capabilities easyconfig parameter or via '
'--cuda-compute-capabilities')
cuda_cc_string = ' '.join([x.replace('.', '') for x in cuda_cc])
self.cfg.update('configopts', '--with-gpu-arch="%s"' % cuda_cc_string)
else:
self.cfg.update('configopts', '--with-cuda=NO')
super(EB_Hypre, self).configure_step()
def sanity_check_step(self):
"""Custom sanity check for Hypre."""
# Add static and shared libs depending on configopts
hypre_libs = list()
if self.config_shared:
shlib_ext = get_shared_lib_ext()
hypre_libs.append(os.path.join('lib', 'libHYPRE.%s' % shlib_ext))
if self.config_static:
hypre_libs.append(os.path.join('lib', 'libHYPRE.a'))
custom_paths = {
'files': hypre_libs,
'dirs': ['include']
}
super(EB_Hypre, self).sanity_check_step(custom_paths=custom_paths)
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