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update imkl easyblock to support oneAPI versions (>= 2021.x) #2407

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merged 3 commits into from
May 5, 2021
Merged

update imkl easyblock to support oneAPI versions (>= 2021.x) #2407

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0cdff37
update imkl easyblock to support oneAPI versions (>= 2021.x)
boegel Apr 28, 2021
ef9967a
Adjust guesses for oneapi imkl
bartoldeman Apr 28, 2021
bcdcdc3
Merge pull request #38 from ComputeCanada/imkl_oneapi
boegel Apr 28, 2021
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133 changes: 83 additions & 50 deletions easybuild/easyblocks/i/imkl.py
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Original file line number Diff line number Diff line change
Expand Up @@ -45,7 +45,7 @@
from easybuild.easyblocks.generic.intelbase import IntelBase, ACTIVATION_NAME_2012, LICENSE_FILE_NAME_2012
from easybuild.framework.easyconfig import CUSTOM
from easybuild.tools.build_log import EasyBuildError
from easybuild.tools.filetools import apply_regex_substitutions, change_dir, remove_dir
from easybuild.tools.filetools import apply_regex_substitutions, change_dir, remove_dir, write_file
from easybuild.tools.modules import get_software_root
from easybuild.tools.run import run_cmd
from easybuild.tools.systemtools import get_shared_lib_ext
Expand Down Expand Up @@ -147,21 +147,31 @@ def make_module_req_guess(self):
if self.cfg['m32']:
raise EasyBuildError("32-bit not supported yet for IMKL v%s (>= 10.3)", self.version)
else:
if LooseVersion(self.version) >= LooseVersion('2021'):
compiler_subdir = os.path.join('compiler', self.version, 'linux', 'compiler', 'lib', 'intel64_lin')
mkl_subdir = os.path.join('mkl', self.version)
pkg_config_path = [os.path.join(mkl_subdir, 'tools', 'pkgconfig')]
else:
compiler_subdir = os.path.join('lib', 'intel64')
mkl_subdir = 'mkl'
pkg_config_path = [os.path.join(mkl_subdir, 'bin', 'pkgconfig')]
guesses['MANPATH'] = ['man', 'man/en_US']
if LooseVersion(self.version) >= LooseVersion('11.0'):
if LooseVersion(self.version) >= LooseVersion('11.3'):
guesses['MIC_LD_LIBRARY_PATH'] = ['lib/intel64_lin_mic', 'mkl/lib/mic']
elif LooseVersion(self.version) >= LooseVersion('11.1'):
guesses['MIC_LD_LIBRARY_PATH'] = ['lib/mic', 'mkl/lib/mic']
else:
guesses['MIC_LD_LIBRARY_PATH'] = ['compiler/lib/mic', 'mkl/lib/mic']
library_path = [compiler_subdir, os.path.join(mkl_subdir, 'lib', 'intel64')]
cpath = [os.path.join(mkl_subdir, 'include'), os.path.join(mkl_subdir, 'include', 'fftw')]
guesses.update({
'PATH': [],
'LD_LIBRARY_PATH': ['lib/intel64', 'mkl/lib/intel64'],
'LIBRARY_PATH': ['lib/intel64', 'mkl/lib/intel64'],
'MANPATH': ['man', 'man/en_US'],
'CPATH': ['mkl/include', 'mkl/include/fftw'],
'PKG_CONFIG_PATH': ['mkl/bin/pkgconfig'],
'LD_LIBRARY_PATH': library_path,
'LIBRARY_PATH': library_path,
'CPATH': cpath,
'PKG_CONFIG_PATH': pkg_config_path,
})
if LooseVersion(self.version) >= LooseVersion('11.0'):
if LooseVersion(self.version) >= LooseVersion('11.3'):
guesses['MIC_LD_LIBRARY_PATH'] = ['lib/intel64_lin_mic', 'mkl/lib/mic']
elif LooseVersion(self.version) >= LooseVersion('11.1'):
guesses['MIC_LD_LIBRARY_PATH'] = ['lib/mic', 'mkl/lib/mic']
else:
guesses['MIC_LD_LIBRARY_PATH'] = ['compiler/lib/mic', 'mkl/lib/mic']
else:
if self.cfg['m32']:
guesses.update({
Expand All @@ -183,7 +193,13 @@ def make_module_req_guess(self):
def make_module_extra(self):
"""Overwritten from Application to add extra txt"""
txt = super(EB_imkl, self).make_module_extra()
txt += self.module_generator.set_environment('MKLROOT', os.path.join(self.installdir, 'mkl'))

if LooseVersion(self.version) >= LooseVersion('2021'):
mklroot = os.path.join(self.installdir, 'mkl', self.version)
else:
mklroot = os.path.join(self.installdir, 'mkl')

txt += self.module_generator.set_environment('MKLROOT', mklroot)
return txt

def post_install_step(self):
Expand Down Expand Up @@ -216,7 +232,11 @@ def post_install_step(self):
'libmkl_cdft.a': 'GROUP (libmkl_cdft_core.a)'
}

if LooseVersion(self.version) >= LooseVersion('10.3'):
loosever = LooseVersion(self.version)

if loosever >= LooseVersion('2021'):
libsubdir = os.path.join('mkl', self.version, 'lib', 'intel64')
elif loosever >= LooseVersion('10.3'):
libsubdir = os.path.join('mkl', 'lib', 'intel64')
else:
if self.cfg['m32']:
Expand All @@ -227,18 +247,15 @@ def post_install_step(self):
for fil, txt in extra.items():
dest = os.path.join(self.installdir, libsubdir, fil)
if not os.path.exists(dest):
try:
f = open(dest, 'w')
f.write(txt)
f.close()
self.log.info("File %s written" % dest)
except IOError as err:
raise EasyBuildError("Can't write file %s: %s", dest, err)
write_file(dest, txt)

# build the mkl interfaces, if desired
if self.cfg['interfaces']:

if LooseVersion(self.version) >= LooseVersion('10.3'):
if loosever >= LooseVersion('2021'):
intsubdir = os.path.join('mkl', self.version, 'interfaces')
inttarget = 'libintel64'
elif loosever >= LooseVersion('10.3'):
intsubdir = os.path.join('mkl', 'interfaces')
inttarget = 'libintel64'
else:
Expand All @@ -262,16 +279,16 @@ def post_install_step(self):
compopt = None
# determine whether we're using a non-Intel GCC-based or PGI-based toolchain
# can't use toolchain.comp_family, because of system toolchain used when installing imkl
if get_software_root('icc') is None:
if get_software_root('icc') or get_software_root('intel-compilers'):
compopt = 'compiler=intel'
else:
# check for PGI first, since there's a GCC underneath PGI too...
if get_software_root('PGI'):
compopt = 'compiler=pgi'
elif get_software_root('GCC'):
compopt = 'compiler=gnu'
else:
raise EasyBuildError("Not using Intel/GCC/PGI compilers, don't know how to build wrapper libs")
else:
compopt = 'compiler=intel'

# patch makefiles for cdft wrappers when PGI is used as compiler
if get_software_root('PGI'):
Expand Down Expand Up @@ -366,15 +383,15 @@ def sanity_check_step(self):
extralibs = ['libmkl_blacs_intelmpi_%(suff)s.' + shlib_ext, 'libmkl_scalapack_%(suff)s.' + shlib_ext]

if self.cfg['interfaces']:
compsuff = '_intel'
if get_software_root('icc') is None:
# check for PGI first, since there's a GCC underneath PGI too...
if get_software_root('PGI'):
compsuff = '_pgi'
elif get_software_root('GCC'):
compsuff = '_gnu'
else:
raise EasyBuildError("Not using Intel/GCC/PGI, don't know compiler suffix for FFTW libraries.")
if get_software_root('icc') or get_software_root('intel-compilers'):
compsuff = '_intel'
# check for PGI first, since there's a GCC underneath PGI too...
elif get_software_root('PGI'):
compsuff = '_pgi'
elif get_software_root('GCC'):
compsuff = '_gnu'
else:
raise EasyBuildError("Not using Intel/GCC/PGI, don't know compiler suffix for FFTW libraries.")

precs = ['_double', '_single']
if ver < LooseVersion('11'):
Expand All @@ -399,23 +416,39 @@ def sanity_check_step(self):
bits = ['']
libs += ['libfftw%s%s%s.a' % x for x in itertools.product(fftw_cdft_vers, bits, pics)]

if ver >= LooseVersion('10.3'):
if self.cfg['m32']:
raise EasyBuildError("Sanity check for 32-bit not implemented yet for IMKL v%s (>= 10.3)", self.version)
if ver >= LooseVersion('10.3') and self.cfg['m32']:
raise EasyBuildError("Sanity check for 32-bit not implemented yet for IMKL v%s (>= 10.3)", self.version)

if ver >= LooseVersion('2021'):
basedir = os.path.join('mkl', self.version)

mkldirs = [
os.path.join(basedir, 'bin'),
os.path.join(basedir, 'lib', 'intel64'),
os.path.join(basedir, 'include'),
]
libs += [lib % {'suff': suff} for lib in extralibs for suff in ['lp64', 'ilp64']]

mklfiles = [
os.path.join(basedir, 'lib', 'intel64', 'libmkl_core.%s' % shlib_ext),
os.path.join(basedir, 'include', 'mkl.h'),
]
mklfiles.extend([os.path.join(basedir, 'lib', 'intel64', lib) for lib in libs])

elif ver >= LooseVersion('10.3'):
mkldirs = ['bin', 'mkl/bin', 'mkl/lib/intel64', 'mkl/include']
if ver < LooseVersion('11.3'):
mkldirs.append('mkl/bin/intel64')
libs += [lib % {'suff': suff} for lib in extralibs for suff in ['lp64', 'ilp64']]
mklfiles = ['mkl/lib/intel64/libmkl.%s' % shlib_ext, 'mkl/include/mkl.h'] + \
['mkl/lib/intel64/%s' % lib for lib in libs]
if ver >= LooseVersion('10.3.4') and ver < LooseVersion('11.1'):
mkldirs += ['compiler/lib/intel64']
else:
mkldirs = ['bin', 'mkl/bin', 'mkl/lib/intel64', 'mkl/include']
if ver < LooseVersion('11.3'):
mkldirs.append('mkl/bin/intel64')
libs += [lib % {'suff': suff} for lib in extralibs for suff in ['lp64', 'ilp64']]
mklfiles = ['mkl/lib/intel64/libmkl.%s' % shlib_ext, 'mkl/include/mkl.h'] + \
['mkl/lib/intel64/%s' % lib for lib in libs]
if ver >= LooseVersion('10.3.4') and ver < LooseVersion('11.1'):
mkldirs += ['compiler/lib/intel64']
if ver >= LooseVersion('2017.0.0'):
mkldirs += ['lib/intel64_lin']
else:
if ver >= LooseVersion('2017.0.0'):
mkldirs += ['lib/intel64_lin']
else:
mkldirs += ['lib/intel64']
mkldirs += ['lib/intel64']

else:
if self.cfg['m32']:
Expand Down