add custom toolchain intelfftw

Custom_Toolchains/fft/intelfftw.py

+##
+# Copyright 2012-2021 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/>.
+##
+"""
+Support for Intel FFTW as toolchain FFT library.
+
+:author: Stijn De Weirdt (Ghent University)
+:author: Kenneth Hoste (Ghent University)
+"""
+import os
+from distutils.version import LooseVersion
+
+from easybuild.tools.build_log import EasyBuildError, dry_run_warning
+from easybuild.tools.config import build_option
+from easybuild.toolchains.fft.fftw import Fftw
+from easybuild.tools.modules import get_software_root, get_software_version
+
+
+class IntelFFTW(Fftw):
+    """FFTW wrapper functionality of Intel MKL"""
+
+    FFT_MODULE_NAME = ['imkl']
+
+    FFT_LIB_GROUP = True
+    FFT_LIB_STATIC = True
+
+    def _set_fftw_variables(self):
+        if not hasattr(self, 'BLAS_LIB_DIR'):
+            raise EasyBuildError(
+                "_set_fftw_variables: IntelFFT based on IntelMKL (no BLAS_LIB_DIR found)")
+
+        imklver = get_software_version(self.FFT_MODULE_NAME[0])
+
+        picsuff = ''
+        if self.options.get('pic', None):
+            picsuff = '_pic'
+        bitsuff = '_lp64'
+        if self.options.get('i8', None):
+            bitsuff = '_ilp64'
+
+        if get_software_root('icc') or get_software_root('intel-compilers'):
+            compsuff = '_intel'
+        elif get_software_root('PGI'):
+            compsuff = '_pgi'
+        elif get_software_root('GCC') or get_software_root('GCCcore'):
+            compsuff = '_gnu'
+        else:
+            error_msg = "Not using Intel compilers, PGI nor GCC, don't know compiler suffix for FFTW libraries."
+            raise EasyBuildError(error_msg)
+
+        interface_lib = "fftw3xc%s%s" % (compsuff, picsuff)
+        fftw_libs = [interface_lib]
+        cluster_interface_lib = None
+        if self.options.get('usempi', False):
+            # add cluster interface for recent imkl versions
+            if LooseVersion(imklver) >= LooseVersion('10.3'):
+                suff = picsuff
+                if LooseVersion(imklver) >= LooseVersion('11.0.2'):
+                    suff = bitsuff + suff
+                cluster_interface_lib = 'fftw3x_cdft%s' % suff
+                fftw_libs.append(cluster_interface_lib)
+            fftw_libs.append("mkl_cdft_core")  # add cluster dft
+            # add BLACS; use flatten because ListOfList
+            fftw_libs.extend(self.variables['LIBBLACS'].flatten())
+
+        fftw_mt_libs = fftw_libs + [x %
+                                    self.BLAS_LIB_MAP for x in self.BLAS_LIB_MT]
+
+        self.log.debug('fftw_libs %s' % fftw_libs.__repr__())
+        # add BLAS libs (contains dft)
+        fftw_libs.extend(self.variables['LIBBLAS'].flatten())
+        self.log.debug('fftw_libs %s' % fftw_libs.__repr__())
+
+        self.FFT_LIB_DIR = self.BLAS_LIB_DIR
+        self.FFT_INCLUDE_DIR = [os.path.join(
+            d, 'fftw') for d in self.BLAS_INCLUDE_DIR]
+
+        # building the FFTW interfaces is optional,
+        # so make sure libraries are there before FFT_LIB is set
+        imklroot = get_software_root(self.FFT_MODULE_NAME[0])
+        fft_lib_dirs = [os.path.join(imklroot, d) for d in self.FFT_LIB_DIR]
+
+        def fftw_lib_exists(libname):
+            """Helper function to check whether FFTW library with specified name exists."""
+            return any([os.path.exists(os.path.join(d, "lib%s.a" % libname)) for d in fft_lib_dirs])
+
+        if not fftw_lib_exists(interface_lib) and LooseVersion(imklver) >= LooseVersion("10.2"):
+            # interface libs can be optional:
+            # MKL >= 10.2 include fftw3xc and fftw3xf interfaces in LIBBLAS=libmkl_gf/libmkl_intel
+            # See https://software.intel.com/en-us/articles/intel-mkl-main-libraries-contain-fftw3-interfaces
+            # The cluster interface libs (libfftw3x_cdft*) can be omitted if the toolchain does not provide MPI-FFTW
+            # interfaces.
+            fftw_libs = [lib for lib in fftw_libs if lib not in [
+                interface_lib, cluster_interface_lib]]
+            fftw_mt_libs = [lib for lib in fftw_mt_libs if lib not in [
+                interface_lib, cluster_interface_lib]]
+
+        # filter out libraries from list of FFTW libraries to check for if they are not provided by Intel MKL
+        check_fftw_libs = [
+            lib for lib in fftw_libs if lib not in ['dl', 'gfortran']]
+
+        if all([fftw_lib_exists(lib) for lib in check_fftw_libs]):
+            self.FFT_LIB = fftw_libs
+        else:
+            msg = "Not all FFTW interface libraries %s are found in %s" % (
+                check_fftw_libs, fft_lib_dirs)
+            msg += ", can't set $FFT_LIB."
+            if self.dry_run:
+                dry_run_warning(msg, silent=build_option('silent'))
+            else:
+                raise EasyBuildError(msg)
+
+        self.FFT_LIB_MT = fftw_mt_libs