add custom easyblock for FFTW.MPI + modify FFTW's sanity check step to allow checking only for MPI parts of FFTW installation

easybuild/easyblocks/f/fftw.py

@@ -246,13 +246,16 @@ def test_step(self):
 
         super(EB_FFTW, self).test_step()
 
-    def sanity_check_step(self):
-        """Custom sanity check for FFTW."""
+    def sanity_check_step(self, mpionly=False):
+        """Custom sanity check for FFTW. mpionly=True only for FFTW.MPI"""
 
         custom_paths = {
-            'files': ['bin/fftw-wisdom-to-conf', 'include/fftw3.f', 'include/fftw3.h'],
-            'dirs': ['lib/pkgconfig'],
+            'files': ['include/fftw3.f', 'include/fftw3.h'],
+            'dirs': [],
         }
+        if not mpionly:
+            custom_paths['files'].insert(0, 'bin/fftw-wisdom-to-conf')
+            custom_paths['dirs'].insert(0, 'lib/pkgconfig')
 
         shlib_ext = get_shared_lib_ext()
 
@@ -261,7 +264,8 @@ def sanity_check_step(self):
             if self.cfg['with_%s_prec' % prec]:
 
                 # precision-specific binaries
-                extra_files.append('bin/fftw%s-wisdom' % letter)
+                if not mpionly:
+                    extra_files.append('bin/fftw%s-wisdom' % letter)
 
                 # precision-specific .f03 header files
                 inc_f03 = 'include/fftw3%s.f03' % letter
@@ -271,7 +275,11 @@ def sanity_check_step(self):
                 extra_files.append(inc_f03)
 
                 # libraries, one for each precision and variant (if enabled)
-                for variant in ['', 'mpi', 'openmp', 'threads']:
+                if mpionly:
+                    variantlist = ['mpi']
+                else:
+                    variantlist = ['', 'mpi', 'openmp', 'threads']
+                for variant in variantlist:
                     if variant == 'openmp':
                         suff = '_omp'
                     elif variant == '':

easybuild/easyblocks/f/fftwmpi.py

@@ -0,0 +1,73 @@
+##
+# 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 installing only the MPI interfaces for FFTW,
+implemented as an easyblock
+
+@author: Bart Oldeman (McGill University, Calcul Quebec, Digital Research Alliance of Canada)
+"""
+import os
+import glob
+
+from easybuild.easyblocks.fftw import EB_FFTW
+from easybuild.tools.build_log import EasyBuildError
+from easybuild.tools.modules import get_software_root
+from easybuild.tools.filetools import remove
+
+
+class EB_FFTW_period_MPI(EB_FFTW):
+    """Support for building/installing FFTW.MPI"""
+
+    @staticmethod
+    def extra_options():
+        """Modify defaults for custom easyconfig parameters for FFTW."""
+
+        extra_vars = EB_FFTW.extra_options()
+        # change defaults for unneeded or impossible options for MPI libraries
+        extra_vars['with_openmp'][0] = False
+        extra_vars['with_threads'][0] = False
+        extra_vars['with_quad_prec'][0] = False
+        return extra_vars
+
+    def prepare_step(self, *args, **kwargs):
+        """Custom prepare step: make sure FFTW is available as dependency."""
+        super(EB_FFTW_period_MPI, self).prepare_step(*args, **kwargs)
+
+        fftw_root = get_software_root('FFTW')
+        if not fftw_root:
+            raise EasyBuildError("Required FFTW dependency is missing!")
+
+    def post_install_step(self):
+        """Custom post install step for FFTW.MPI"""
+
+        # remove everything except include files that are already in non-MPI FFTW dependency.
+        remove(glob.glob(os.path.join(self.installdir, 'lib', 'libfftw.*')) +
+               glob.glob(os.path.join(self.installdir, 'lib', 'libfftw[lf].*')) +
+               [os.path.join(self.installdir, p) for p in ['bin', 'lib/pkgconfig', 'lib/cmake', 'share']])
+        super(EB_FFTW_period_MPI, self).post_install_step()
+
+    def sanity_check_step(self):
+        """Custom sanity check for FFTW.MPI: check if all libraries/headers for MPI interfaces are there."""
+        super(EB_FFTW_period_MPI, self).sanity_check_step(mpionly=True)

test/easyblocks/module.py

@@ -46,6 +46,7 @@
 from easybuild.easyblocks.generic.pythonbundle import PythonBundle
 from easybuild.easyblocks.gcc import EB_GCC
 from easybuild.easyblocks.imod import EB_IMOD
+from easybuild.easyblocks.fftwmpi import EB_FFTW_period_MPI
 from easybuild.easyblocks.imkl_fftw import EB_imkl_minus_FFTW
 from easybuild.easyblocks.openfoam import EB_OpenFOAM
 from easybuild.framework.easyconfig import easyconfig
@@ -260,6 +261,10 @@ def template_module_only_test(self, easyblock, name, version='1.3.2', extra_txt=
         for base in copy.copy(bases):
             bases.extend(base.__bases__)
 
+        if app_class == EB_FFTW_period_MPI:
+            # $EBROOTFFTW must be set for FFTW.MPI, because of dependency check on FFTW in prepare_step
+            os.environ['EBROOTFFTW'] = '/fake/software/FFTW/3.3.10'
+
         if app_class == EB_imkl_minus_FFTW:
             # $EBROOTIMKL must be set for imkl-FFTW, because of dependency check on imkl in prepare_step
             os.environ['EBROOTIMKL'] = '/fake/software/imkl/2021.4.0/mkl/2021.4.0'