diff --git a/easyblocks/m/mkl.py b/easyblocks/m/mkl.py
new file mode 100644
index 0000000000000000000000000000000000000000..24ea48cccbf9bf320a27de552cf240d1008b69ed
--- /dev/null
+++ b/easyblocks/m/mkl.py
@@ -0,0 +1,436 @@
+# #
+# Copyright 2009-2021 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 installing the Intel Math Kernel Library (MKL), implemented as an easyblock
+
+@author: Stijn De Weirdt (Ghent University)
+@author: Dries Verdegem (Ghent University)
+@author: Kenneth Hoste (Ghent University)
+@author: Pieter De Baets (Ghent University)
+@author: Jens Timmerman (Ghent University)
+@author: Ward Poelmans (Ghent University)
+@author: Lumir Jasiok (IT4Innovations)
+"""
+
+import itertools
+import os
+import shutil
+import tempfile
+from distutils.version import LooseVersion
+
+import easybuild.tools.environment as env
+import easybuild.tools.toolchain as toolchain
+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.modules import get_software_root
+from easybuild.tools.run import run_cmd
+from easybuild.tools.systemtools import get_shared_lib_ext
+
+
+class EB_mkl(IntelBase):
+ """
+ Class that can be used to install mkl
+ - tested with 10.2.1.017
+ -- will fail for all older versions (due to newer silent installer)
+ """
+
+ @staticmethod
+ def extra_options():
+ """Add easyconfig parameters custom to mkl (e.g. interfaces)."""
+ extra_vars = {
+ 'interfaces': [True, "Indicates whether interfaces should be built", CUSTOM],
+ }
+ return IntelBase.extra_options(extra_vars)
+
+ def __init__(self, *args, **kwargs):
+ super(EB_mkl, self).__init__(*args, **kwargs)
+ # make sure $MKLROOT isn't set, it's known to cause problems with the installation
+ self.cfg.update('unwanted_env_vars', ['MKLROOT'])
+ self.cdftlibs = []
+ self.mpi_spec = None
+
+ def prepare_step(self, *args, **kwargs):
+ if LooseVersion(self.version) >= LooseVersion('2017.2.174'):
+ kwargs['requires_runtime_license'] = False
+ super(EB_mkl, self).prepare_step(*args, **kwargs)
+ else:
+ super(EB_mkl, self).prepare_step(*args, **kwargs)
+
+ # build the mkl interfaces, if desired
+ if self.cfg['interfaces']:
+ self.cdftlibs = ['fftw2x_cdft']
+ if LooseVersion(self.version) >= LooseVersion('10.3'):
+ self.cdftlibs.append('fftw3x_cdft')
+ # check whether MPI_FAMILY constant is defined, so mpi_family() can be used
+ if hasattr(self.toolchain, 'MPI_FAMILY') and self.toolchain.MPI_FAMILY is not None:
+ mpi_spec_by_fam = {
+ toolchain.MPICH: 'mpich2', # MPICH is MPICH v3.x, which is MPICH2 compatible
+ toolchain.MPICH2: 'mpich2',
+ toolchain.MVAPICH2: 'mpich2',
+ toolchain.OPENMPI: 'openmpi',
+ }
+ mpi_fam = self.toolchain.mpi_family()
+ self.mpi_spec = mpi_spec_by_fam.get(mpi_fam)
+ debugstr = "MPI toolchain component"
+ else:
+ # can't use toolchain.mpi_family, because of system toolchain
+ if get_software_root('MPICH2') or get_software_root('MVAPICH2'):
+ self.mpi_spec = 'mpich2'
+ elif get_software_root('OpenMPI'):
+ self.mpi_spec = 'openmpi'
+ elif not get_software_root('impi'):
+ # no compatible MPI found: do not build cdft
+ self.cdftlibs = []
+ debugstr = "loaded MPI module"
+ if self.mpi_spec:
+ self.log.debug("Determined MPI specification based on %s: %s", debugstr, self.mpi_spec)
+ else:
+ self.log.debug("No MPI or no compatible MPI found: do not build CDFT")
+
+ def install_step(self):
+ """
+ Actual installation
+ - create silent cfg file
+ - execute command
+ """
+ silent_cfg_names_map = None
+ silent_cfg_extras = None
+
+ if LooseVersion(self.version) < LooseVersion('11.1'):
+ # since imkl v11.1, silent.cfg has been slightly changed to be 'more standard'
+
+ silent_cfg_names_map = {
+ 'activation_name': ACTIVATION_NAME_2012,
+ 'license_file_name': LICENSE_FILE_NAME_2012,
+ }
+
+ if LooseVersion(self.version) >= LooseVersion('11.1') and self.install_components is None:
+ silent_cfg_extras = {
+ 'COMPONENTS': 'ALL',
+ }
+
+ super(EB_mkl, self).install_step(
+ silent_cfg_names_map=silent_cfg_names_map,
+ silent_cfg_extras=silent_cfg_extras)
+
+ def make_module_req_guess(self):
+ """
+ A dictionary of possible directories to look for
+ """
+ guesses = super(EB_mkl, self).make_module_req_guess()
+
+ if LooseVersion(self.version) >= LooseVersion('10.3'):
+ if self.cfg['m32']:
+ raise EasyBuildError("32-bit not supported yet for IMKL v%s (>= 10.3)", self.version)
+ else:
+ 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'],
+ })
+ 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({
+ 'PATH': ['bin', 'bin/ia32', 'tbb/bin/ia32'],
+ 'LD_LIBRARY_PATH': ['lib', 'lib/32'],
+ 'LIBRARY_PATH': ['lib', 'lib/32'],
+ 'MANPATH': ['man', 'share/man', 'man/en_US'],
+ })
+
+ else:
+ guesses.update({
+ 'PATH': ['bin', 'bin/intel64', 'tbb/bin/em64t'],
+ 'LD_LIBRARY_PATH': ['lib', 'lib/em64t'],
+ 'LIBRARY_PATH': ['lib', 'lib/em64t'],
+ 'MANPATH': ['man', 'share/man', 'man/en_US'],
+ })
+ return guesses
+
+ def make_module_extra(self):
+ """Overwritten from Application to add extra txt"""
+ txt = super(EB_mkl, self).make_module_extra()
+ txt += self.module_generator.set_environment('MKLROOT', os.path.join(self.installdir, 'mkl'))
+ return txt
+
+ def post_install_step(self):
+ """
+ Install group libraries and interfaces (if desired).
+ """
+ super(EB_mkl, self).post_install_step()
+
+ shlib_ext = get_shared_lib_ext()
+
+ # reload the dependencies
+ self.load_dependency_modules()
+
+ if self.cfg['m32']:
+ extra = {
+ 'libmkl.%s' % shlib_ext: 'GROUP (-lmkl_intel -lmkl_intel_thread -lmkl_core)',
+ 'libmkl_em64t.a': 'GROUP (libmkl_intel.a libmkl_intel_thread.a libmkl_core.a)',
+ 'libmkl_solver.a': 'GROUP (libmkl_solver.a)',
+ 'libmkl_scalapack.a': 'GROUP (libmkl_scalapack_core.a)',
+ 'libmkl_lapack.a': 'GROUP (libmkl_intel.a libmkl_intel_thread.a libmkl_core.a)',
+ 'libmkl_cdft.a': 'GROUP (libmkl_cdft_core.a)'
+ }
+ else:
+ extra = {
+ 'libmkl.%s' % shlib_ext: 'GROUP (-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core)',
+ 'libmkl_em64t.a': 'GROUP (libmkl_intel_lp64.a libmkl_intel_thread.a libmkl_core.a)',
+ 'libmkl_solver.a': 'GROUP (libmkl_solver_lp64.a)',
+ 'libmkl_scalapack.a': 'GROUP (libmkl_scalapack_lp64.a)',
+ 'libmkl_lapack.a': 'GROUP (libmkl_intel_lp64.a libmkl_intel_thread.a libmkl_core.a)',
+ 'libmkl_cdft.a': 'GROUP (libmkl_cdft_core.a)'
+ }
+
+ if LooseVersion(self.version) >= LooseVersion('10.3'):
+ libsubdir = os.path.join('mkl', 'lib', 'intel64')
+ else:
+ if self.cfg['m32']:
+ libsubdir = os.path.join('lib', '32')
+ else:
+ libsubdir = os.path.join('lib', 'em64t')
+
+ 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)
+
+ # build the mkl interfaces, if desired
+ if self.cfg['interfaces']:
+
+ if LooseVersion(self.version) >= LooseVersion('10.3'):
+ intsubdir = os.path.join('mkl', 'interfaces')
+ inttarget = 'libintel64'
+ else:
+ intsubdir = 'interfaces'
+ if self.cfg['m32']:
+ inttarget = 'lib32'
+ else:
+ inttarget = 'libem64t'
+
+ cmd = "make -f makefile %s" % inttarget
+
+ # blas95 and lapack95 need more work, ignore for now
+ # blas95 and lapack also need include/.mod to be processed
+ fftw2libs = ['fftw2xc', 'fftw2xf']
+ fftw3libs = ['fftw3xc', 'fftw3xf']
+
+ interfacedir = os.path.join(self.installdir, intsubdir)
+ change_dir(interfacedir)
+ self.log.info("Changed to interfaces directory %s", interfacedir)
+
+ 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:
+ # 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'):
+ regex_subs = [
+ # pgi should be considered as a valid compiler
+ ("intel gnu", "intel gnu pgi"),
+ # transform 'gnu' case to 'pgi' case
+ (r"ifeq \(\$\(compiler\),gnu\)", "ifeq ($(compiler),pgi)"),
+ ('=gcc', '=pgcc'),
+ # correct flag to use C99 standard
+ ('-std=c99', '-c99'),
+ # -Wall and -Werror are not valid options for pgcc, no close equivalent
+ ('-Wall', ''),
+ ('-Werror', ''),
+ ]
+ for lib in self.cdftlibs:
+ apply_regex_substitutions(os.path.join(interfacedir, lib, 'makefile'), regex_subs)
+
+ for lib in fftw2libs + fftw3libs + self.cdftlibs:
+ buildopts = [compopt]
+ if lib in fftw3libs:
+ buildopts.append('install_to=$INSTALL_DIR')
+ elif lib in self.cdftlibs:
+ if self.mpi_spec is not None:
+ buildopts.append('mpi=%s' % self.mpi_spec)
+
+ precflags = ['']
+ if lib.startswith('fftw2x') and not self.cfg['m32']:
+ # build both single and double precision variants
+ precflags = ['PRECISION=MKL_DOUBLE', 'PRECISION=MKL_SINGLE']
+
+ intflags = ['']
+ if lib in self.cdftlibs and not self.cfg['m32']:
+ # build both 32-bit and 64-bit interfaces
+ intflags = ['interface=lp64', 'interface=ilp64']
+
+ allopts = [list(opts) for opts in itertools.product(intflags, precflags)]
+
+ for flags, extraopts in itertools.product(['', '-fPIC'], allopts):
+ tup = (lib, flags, buildopts, extraopts)
+ self.log.debug("Building lib %s with: flags %s, buildopts %s, extraopts %s" % tup)
+
+ tmpbuild = tempfile.mkdtemp(dir=self.builddir)
+ self.log.debug("Created temporary directory %s" % tmpbuild)
+
+ # always set INSTALL_DIR, SPEC_OPT, COPTS and CFLAGS
+ # fftw2x(c|f): use $INSTALL_DIR, $CFLAGS and $COPTS
+ # fftw3x(c|f): use $CFLAGS
+ # fftw*cdft: use $INSTALL_DIR and $SPEC_OPT
+ env.setvar('INSTALL_DIR', tmpbuild)
+ env.setvar('SPEC_OPT', flags)
+ env.setvar('COPTS', flags)
+ env.setvar('CFLAGS', flags)
+
+ try:
+ intdir = os.path.join(interfacedir, lib)
+ os.chdir(intdir)
+ self.log.info("Changed to interface %s directory %s" % (lib, intdir))
+ except OSError as err:
+ raise EasyBuildError("Can't change to interface %s directory %s: %s", lib, intdir, err)
+
+ fullcmd = "%s %s" % (cmd, ' '.join(buildopts + extraopts))
+ res = run_cmd(fullcmd, log_all=True, simple=True)
+ if not res:
+ raise EasyBuildError("Building %s (flags: %s, fullcmd: %s) failed", lib, flags, fullcmd)
+
+ for fn in os.listdir(tmpbuild):
+ src = os.path.join(tmpbuild, fn)
+ if flags == '-fPIC':
+ # add _pic to filename
+ ff = fn.split('.')
+ fn = '.'.join(ff[:-1]) + '_pic.' + ff[-1]
+ dest = os.path.join(self.installdir, libsubdir, fn)
+ try:
+ if os.path.isfile(src):
+ shutil.move(src, dest)
+ self.log.info("Moved %s to %s" % (src, dest))
+ except OSError as err:
+ raise EasyBuildError("Failed to move %s to %s: %s", src, dest, err)
+
+ remove_dir(tmpbuild)
+
+ def sanity_check_step(self):
+ """Custom sanity check paths for Intel MKL."""
+ shlib_ext = get_shared_lib_ext()
+
+ mklfiles = None
+ mkldirs = None
+ ver = LooseVersion(self.version)
+ libs = ['libmkl_core.%s' % shlib_ext, 'libmkl_gnu_thread.%s' % shlib_ext,
+ 'libmkl_intel_thread.%s' % shlib_ext, 'libmkl_sequential.%s' % shlib_ext]
+ 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.")
+
+ precs = ['_double', '_single']
+ if ver < LooseVersion('11'):
+ # no precision suffix in libfftw2 libs before imkl v11
+ precs = ['']
+ fftw_vers = ['2x%s%s' % (x, prec) for x in ['c', 'f'] for prec in precs] + ['3xc', '3xf']
+ pics = ['', '_pic']
+ libs += ['libfftw%s%s%s.a' % (fftwver, compsuff, pic) for fftwver in fftw_vers for pic in pics]
+
+ if self.cdftlibs:
+ fftw_cdft_vers = ['2x_cdft_DOUBLE']
+ if not self.cfg['m32']:
+ fftw_cdft_vers.append('2x_cdft_SINGLE')
+ if ver >= LooseVersion('10.3'):
+ fftw_cdft_vers.append('3x_cdft')
+ if ver >= LooseVersion('11.0.2'):
+ bits = ['_lp64']
+ if not self.cfg['m32']:
+ bits.append('_ilp64')
+ else:
+ # no bits suffix in cdft libs before imkl v11.0.2
+ 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)
+ 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']
+ else:
+ if ver >= LooseVersion('2017.0.0'):
+ mkldirs += ['lib/intel64_lin']
+ else:
+ mkldirs += ['lib/intel64']
+
+ else:
+ if self.cfg['m32']:
+ mklfiles = ['lib/32/libmkl.%s' % shlib_ext, 'include/mkl.h'] + \
+ ['lib/32/%s' % lib for lib in libs]
+ mkldirs = ['lib/32', 'include/32', 'interfaces']
+ else:
+ libs += [lib % {'suff': suff} for lib in extralibs for suff in ['lp64', 'ilp64']]
+ mklfiles = ['lib/em64t/libmkl.%s' % shlib_ext, 'include/mkl.h'] + \
+ ['lib/em64t/%s' % lib for lib in libs]
+ mkldirs = ['lib/em64t', 'include/em64t', 'interfaces']
+
+ custom_paths = {
+ 'files': mklfiles,
+ 'dirs': mkldirs,
+ }
+
+ super(EB_mkl, self).sanity_check_step(custom_paths=custom_paths)