Changes WRT to previous stage:

- Removed custom patch
- Removed -CUDA suffix (lmod indicates it with (g) and there is no
non-CUDA alternative)
- Added custom easyblock to enable just the necessary compute
capabilities
- Much closer to upstream (but still divergent, since we use CUDA and
upstream doesn't)

Custom_EasyBlocks/suitesparse.py

+##
+# 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 SuiteSparse, 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: Damian Alvarez (Forschungszentrum Juelich GmbH)
+"""
+import fileinput
+import re
+import os
+import shutil
+import sys
+import stat
+from distutils.version import LooseVersion
+
+from easybuild.easyblocks.generic.configuremake import ConfigureMake
+from easybuild.tools.build_log import EasyBuildError
+from easybuild.tools.filetools import mkdir, write_file, adjust_permissions
+from easybuild.tools.modules import get_software_root
+from easybuild.tools.modules import get_software_libdir
+from easybuild.tools.systemtools import get_shared_lib_ext
+
+
+class EB_SuiteSparse(ConfigureMake):
+    """Support for building SuiteSparse."""
+
+    def __init__(self, *args, **kwargs):
+        """Custom constructor for SuiteSparse easyblock, initialize custom class parameters."""
+        super(EB_SuiteSparse, self).__init__(*args, **kwargs)
+        self.config_name = 'UNKNOWN'
+
+    def configure_step(self):
+        """Configure build by patching UFconfig.mk or SuiteSparse_config.mk."""
+
+        if LooseVersion(self.version) < LooseVersion('4.0'):
+            self.config_name = 'UFconfig'
+        else:
+            self.config_name = 'SuiteSparse_config'
+
+        cfgvars = {
+            'CC': os.getenv('MPICC'),
+            'CFLAGS': os.getenv('CFLAGS'),
+            'CXX': os.getenv('MPICXX'),
+            'F77': os.getenv('MPIF77'),
+            'F77FLAGS': os.getenv('F77FLAGS'),
+        }
+
+        # avoid that (system) Intel compilers are always considered
+        self.cfg.update('buildopts', 'AUTOCC=no')
+
+        # Set BLAS and LAPACK libraries as specified in SuiteSparse README.txt
+        self.cfg.update('buildopts', 'BLAS="%s"' % os.getenv('LIBBLAS_MT'))
+        self.cfg.update('buildopts', 'LAPACK="%s"' % os.getenv('LIBLAPACK_MT'))
+
+        # Get CUDA and set it up appropriately
+        cuda = get_software_root('CUDA')
+        if cuda:
+            cuda_cc_space_sep = self.cfg.template_values['cuda_cc_space_sep'].replace('.','').split()
+            nvcc_gencode=' '.join(['-gencode=arch=compute_'+x+',code=sm_'+x for x in cuda_cc_space_sep])
+            cfgvars.update({
+                'NVCCFLAGS': ' '.join(['-Xcompiler', '-fPIC', '-O3', nvcc_gencode]),
+            })
+
+        # Get METIS or ParMETIS settings
+        metis = get_software_root('METIS')
+        parmetis = get_software_root('ParMETIS')
+        if parmetis:
+            metis_path = parmetis
+            metis_include = os.path.join(parmetis, 'include')
+            metis_libs = os.path.join(parmetis, get_software_libdir('ParMETIS'), 'libmetis.a')
+
+        elif metis:
+            metis_path = metis
+            metis_include = os.path.join(metis, 'include')
+            metis_libs = os.path.join(metis, get_software_libdir('METIS'), 'libmetis.a')
+
+        else:
+            raise EasyBuildError("Neither METIS or ParMETIS module loaded.")
+
+        if LooseVersion(self.version) >= LooseVersion('4.5.1'):
+            cfgvars.update({
+                'MY_METIS_LIB': metis_libs,
+                'MY_METIS_INC': metis_include,
+            })
+        else:
+            cfgvars.update({
+                'METIS_PATH': metis_path,
+                'METIS': metis_libs,
+            })
+
+        # patch file
+        fp = os.path.join(self.cfg['start_dir'], self.config_name, '%s.mk' % self.config_name)
+
+        try:
+            for line in fileinput.input(fp, inplace=1, backup='.orig'):
+                for (var, val) in list(cfgvars.items()):
+                    # Let's overwrite NVCCFLAGS at the end, since the line breaks and the fact that it appears multiple
+                    # times makes it tricky to handle it properly
+                    if var is not'NVCCFLAGS':
+                        orig_line = line
+                        # for variables in cfgvars, substiture lines assignment
+                        # in the file, whatever they are, by assignments to the
+                        # values in cfgvars
+                        line = re.sub(r"^\s*(%s\s*=\s*).*\n$" % var,
+                                      r"\1 %s # patched by EasyBuild\n" % val,
+                                      line)
+                        if line != orig_line:
+                            cfgvars.pop(var)
+                sys.stdout.write(line)
+        except IOError as err:
+            raise EasyBuildError("Failed to patch %s in: %s", fp, err)
+
+        # add remaining entries at the end
+        if cfgvars:
+            cfgtxt = '# lines below added automatically by EasyBuild\n'
+            cfgtxt += '\n'.join(["%s = %s" % (var, val) for (var, val) in cfgvars.items()])
+            write_file(fp, cfgtxt, append=True)
+
+    def install_step(self):
+        """Install by copying the contents of the builddir to the installdir (preserving permissions)"""
+        for x in os.listdir(self.cfg['start_dir']):
+            src = os.path.join(self.cfg['start_dir'], x)
+            dst = os.path.join(self.installdir, x)
+            try:
+                if os.path.isdir(src):
+                    shutil.copytree(src, dst)
+                    # symlink
+                    # - dst/Lib to dst/lib
+                    # - dst/Include to dst/include
+                    for c in ['Lib', 'Include']:
+                        nsrc = os.path.join(dst, c)
+                        ndst = os.path.join(dst, c.lower())
+                        if os.path.exists(nsrc):
+                            os.symlink(nsrc, ndst)
+                    # enable r-x permissions for group/others
+                    perms = stat.S_IRGRP | stat.S_IXGRP | stat.S_IROTH | stat.S_IXOTH
+                    adjust_permissions(dst, perms, add=True, recursive=True, onlydirs=True)
+                else:
+                    shutil.copy2(src, dst)
+            except OSError as err:
+                raise EasyBuildError("Copying src %s to dst %s failed: %s", src, dst, err)
+
+        # some extra symlinks are necessary for UMFPACK to work.
+        paths = [
+            os.path.join('AMD', 'include', 'amd.h'),
+            os.path.join('AMD', 'include', 'amd_internal.h'),
+            os.path.join(self.config_name, '%s.h' % self.config_name),
+            os.path.join('AMD', 'lib', 'libamd.a')
+        ]
+        for path in paths:
+            src = os.path.join(self.installdir, path)
+            dn = path.split(os.path.sep)[-2]
+            fn = path.split(os.path.sep)[-1]
+            dstdir = os.path.join(self.installdir, 'UMFPACK', dn)
+            mkdir(dstdir)
+            if os.path.exists(src):
+                try:
+                    os.symlink(src, os.path.join(dstdir, fn))
+                except OSError as err:
+                    raise EasyBuildError("Failed to make symbolic link from %s to %s: %s", src, dst, err)
+
+    def make_module_req_guess(self):
+        """
+        Extra path to consider for module file:
+        * add config dir and include to $CPATH so include files are found
+        * add UMFPACK and AMD library, and lib dirs to $LD_LIBRARY_PATH
+        """
+
+        guesses = super(EB_SuiteSparse, self).make_module_req_guess()
+
+        # Previous versions of SuiteSparse used specific directories for includes and libraries
+        if LooseVersion(self.version) < LooseVersion('4.5'):
+            include_dirs = [self.config_name]
+            ld_library_path = ['AMD/lib', 'BTF/lib', 'CAMD/lib', 'CCOLAMD/lib', 'CHOLAMD/lib', 'CHOLMOD/lib',
+                               'COLAMD/lib/', 'CSparse/lib', 'CXSparse/lib', 'KLU/lib', 'LDL/lib', 'RBio/lib',
+                               'UMFPACK/lib', self.config_name]
+
+            guesses['CPATH'].extend(include_dirs)
+            guesses['LD_LIBRARY_PATH'].extend(ld_library_path)
+            guesses['LIBRARY_PATH'].extend(ld_library_path)
+
+        return guesses
+
+    def sanity_check_step(self):
+        """Custom sanity check for SuiteSparse."""
+
+        # Make sure that SuiteSparse did NOT compile its own Metis
+        if os.path.exists(os.path.join(self.installdir, 'lib', 'libmetis.%s' % get_shared_lib_ext())):
+            raise EasyBuildError("SuiteSparse has compiled its own Metis. This will conflict with the Metis build."
+                                 " The SuiteSparse EasyBlock need to be updated!")
+
+        libnames = ['AMD', 'BTF', 'CAMD', 'CCOLAMD', 'CHOLMOD', 'COLAMD', 'CXSparse', 'KLU',
+                    'LDL', 'RBio', 'SPQR', 'UMFPACK']
+        libs = [os.path.join(x, 'lib', 'lib%s.a' % x.lower()) for x in libnames]
+
+        if LooseVersion(self.version) < LooseVersion('4.0'):
+            csparse_dir = 'CSparse3'
+        else:
+            csparse_dir = 'CSparse'
+        libs.append(os.path.join(csparse_dir, 'lib', 'libcsparse.a'))
+
+        # Latest version of SuiteSparse also compiles shared library and put them in 'lib'
+        shlib_ext = get_shared_lib_ext()
+        if LooseVersion(self.version) >= LooseVersion('4.5.1'):
+            libs += [os.path.join('lib', 'lib%s.%s' % (x.lower(), shlib_ext)) for x in libnames]
+
+        custom_paths = {
+            'files': libs,
+            'dirs': ['MATLAB_Tools'],
+        }
+
+        super(EB_SuiteSparse, self).sanity_check_step(custom_paths=custom_paths)

Golden_Repo/s/SuiteSparse/SuiteSparse-5.10.1-gomkl-2021b.eb

+name = 'SuiteSparse'
+version = '5.10.1'
+
+homepage = 'https://faculty.cse.tamu.edu/davis/suitesparse.html'
+description = """SuiteSparse is a collection of libraries manipulate sparse matrices."""
+
+toolchain = {'name': 'gomkl', 'version': '2021b'}
+toolchainopts = {'unroll': True, 'pic': True}
+
+source_urls = ['https://github.com/DrTimothyAldenDavis/SuiteSparse/archive']
+sources = ['v%(version)s.tar.gz']
+checksums = ['acb4d1045f48a237e70294b950153e48dce5b5f9ca8190e86c2b8c54ce00a7ee']
+
+builddependencies = [
+    ('CMake', '3.21.1', '', SYSTEM),
+    ('M4', '1.4.19'),
+]
+
+dependencies = [
+    ('METIS', '5.1.0', '-IDX64'),
+    ('CUDA', '11.5', '', SYSTEM),
+    ('MPFR', '4.1.0'),
+]
+
+# make sure that bin/demo can find libsuitesparseconfig.so.5 during build
+prebuildopts = "export LD_LIBRARY_PATH=%(builddir)s/SuiteSparse-%(version)s/lib:$LD_LIBRARY_PATH && "
+
+moduleclass = 'numlib'

Golden_Repo/s/SuiteSparse/SuiteSparse-5.10.1-gpsmkl-2021b.eb

+name = 'SuiteSparse'
+version = '5.10.1'
+
+homepage = 'http://faculty.cse.tamu.edu/davis/suitesparse.html'
+description = """SuiteSparse is a collection of libraries manipulate sparse matrices."""
+
+toolchain = {'name': 'gpsmkl', 'version': '2021b'}
+toolchainopts = {'unroll': True, 'pic': True}
+
+source_urls = ['https://github.com/DrTimothyAldenDavis/SuiteSparse/archive']
+sources = ['v%(version)s.tar.gz']
+checksums = ['acb4d1045f48a237e70294b950153e48dce5b5f9ca8190e86c2b8c54ce00a7ee']
+
+builddependencies = [
+    ('CMake', '3.21.1', '', SYSTEM),
+    ('M4', '1.4.19'),
+]
+
+dependencies = [
+    ('METIS', '5.1.0', '-IDX64'),
+    ('CUDA', '11.5', '', SYSTEM),
+    ('MPFR', '4.1.0'),
+]
+
+# make sure that bin/demo can find libsuitesparseconfig.so.5 during build
+prebuildopts = "export LD_LIBRARY_PATH=%(builddir)s/SuiteSparse-%(version)s/lib:$LD_LIBRARY_PATH && "
+
+moduleclass = 'numlib'

Golden_Repo/s/SuiteSparse/SuiteSparse-5.10.1-intel-2021.eb

+name = 'SuiteSparse'
+version = '5.10.1'
+
+homepage = 'http://faculty.cse.tamu.edu/davis/suitesparse.html'
+description = """SuiteSparse is a collection of libraries manipulate sparse matrices."""
+
+toolchain = {'name': 'intel', 'version': '2021b'}
+toolchainopts = {'unroll': True, 'pic': True}
+
+source_urls = ['https://github.com/DrTimothyAldenDavis/SuiteSparse/archive']
+sources = ['v%(version)s.tar.gz']
+checksums = ['acb4d1045f48a237e70294b950153e48dce5b5f9ca8190e86c2b8c54ce00a7ee']
+
+builddependencies = [
+    ('CMake', '3.21.1', '', SYSTEM),
+    ('M4', '1.4.19'),
+]
+
+dependencies = [
+    ('METIS', '5.1.0', '-IDX64'),
+    ('CUDA', '11.5', '', SYSTEM),
+    ('MPFR', '4.1.0'),
+]
+
+# make sure that bin/demo can find libsuitesparseconfig.so.5 during build
+prebuildopts = "export LD_LIBRARY_PATH=%(builddir)s/SuiteSparse-%(version)s/lib:$LD_LIBRARY_PATH && "
+
+moduleclass = 'numlib'

Golden_Repo/s/SuiteSparse/SuiteSparse-5.10.1-intel-para-2021.eb

+name = 'SuiteSparse'
+version = '5.10.1'
+
+homepage = 'http://faculty.cse.tamu.edu/davis/suitesparse.html'
+description = """SuiteSparse is a collection of libraries manipulate sparse matrices."""
+
+toolchain = {'name': 'intel-para', 'version': '2021b'}
+toolchainopts = {'unroll': True, 'pic': True}
+
+source_urls = ['https://github.com/DrTimothyAldenDavis/SuiteSparse/archive']
+sources = ['v%(version)s.tar.gz']
+checksums = ['acb4d1045f48a237e70294b950153e48dce5b5f9ca8190e86c2b8c54ce00a7ee']
+
+builddependencies = [
+    ('CMake', '3.21.1', '', SYSTEM),
+    ('M4', '1.4.19'),
+]
+
+dependencies = [
+    ('METIS', '5.1.0', '-IDX64'),
+    ('CUDA', '11.5', '', SYSTEM),
+    ('MPFR', '4.1.0'),
+]
+
+# make sure that bin/demo can find libsuitesparseconfig.so.5 during build
+prebuildopts = "export LD_LIBRARY_PATH=%(builddir)s/SuiteSparse-%(version)s/lib:$LD_LIBRARY_PATH && "
+
+moduleclass = 'numlib'

Golden_Repo/s/SuiteSparse/SuiteSparse-5.10.1-iomkl-2021.eb

+name = 'SuiteSparse'
+version = '5.10.1'
+
+homepage = 'http://faculty.cse.tamu.edu/davis/suitesparse.html'
+description = """SuiteSparse is a collection of libraries manipulate sparse matrices."""
+
+toolchain = {'name': 'iomkl', 'version': '2021b'}
+toolchainopts = {'unroll': True, 'pic': True}
+
+source_urls = ['https://github.com/DrTimothyAldenDavis/SuiteSparse/archive']
+sources = ['v%(version)s.tar.gz']
+checksums = ['acb4d1045f48a237e70294b950153e48dce5b5f9ca8190e86c2b8c54ce00a7ee']
+
+builddependencies = [
+    ('CMake', '3.21.1', '', SYSTEM),
+    ('M4', '1.4.19'),
+]
+
+dependencies = [
+    ('METIS', '5.1.0', '-IDX64'),
+    ('CUDA', '11.5', '', SYSTEM),
+    ('MPFR', '4.1.0'),
+]
+
+# make sure that bin/demo can find libsuitesparseconfig.so.5 during build
+prebuildopts = "export LD_LIBRARY_PATH=%(builddir)s/SuiteSparse-%(version)s/lib:$LD_LIBRARY_PATH && "
+
+moduleclass = 'numlib'