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update PETSc easyblock for newer versions (>= 3.17) #2796

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Merged
boegel merged 5 commits into from
Nov 8, 2022
Merged

update PETSc easyblock for newer versions (>= 3.17) #2796

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c034687
Modifications for PETSc 2022a. Now the SCOTCH libraries need to be sp…
Oct 4, 2022
5cf5588
Trying to satisfy the hound.
Oct 4, 2022
7126deb
Trying to satisfy the hound.
Oct 4, 2022
be4d155
Incorporating improvements suggested by @boegel
Oct 26, 2022
3fb8cde
Incorporating improvements suggested by @boegel
Nov 7, 2022
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29 changes: 28 additions & 1 deletion easybuild/easyblocks/p/petsc.py
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Original file line number Diff line number Diff line change
Expand Up @@ -210,6 +210,10 @@ def configure_step(self):
# filter out deps handled seperately
sep_deps = ['BLACS', 'BLAS', 'CMake', 'FFTW', 'LAPACK', 'numpy',
'mpi4py', 'papi', 'ScaLAPACK', 'SciPy-bundle', 'SuiteSparse']
# SCOTCH has to be treated separately since they add weird postfixes
# to library names from SCOTCH 7.0.1 or PETSc version 3.17.
if (LooseVersion(self.version) >= LooseVersion("3.17")):
sep_deps += ['SCOTCH']
depfilter = [d['name'] for d in self.cfg.builddependencies()] + sep_deps

deps = [dep['name'] for dep in self.cfg.dependencies() if not dep['name'] in depfilter]
Expand All @@ -224,20 +228,43 @@ def configure_step(self):
withdep = "--with-%s" % dep[1].lower()
self.cfg.update('configopts', '%s=1 %s-dir=%s' % (withdep, withdep, deproot))

# SCOTCH has to be treated separately since they add weird postfixes
# to library names from SCOTCH 7.0.1 or PETSc version 3.17.
if (LooseVersion(self.version) >= LooseVersion("3.17")):
scotch = get_software_root('SCOTCH')
if scotch:
withdep = "--with-ptscotch"
scotch_inc = [os.path.join(scotch, "include")]
inc_spec = "-include=[%s]" % ','.join(scotch_inc)

# For some reason there is a v3 suffix added to libptscotchparmetis
# which is the reason for this new code.
req_scotch_libs = ['libptesmumps.a', 'libptscotchparmetisv3.a',
'libptscotch.a', 'libptscotcherr.a', 'libesmumps.a',
'libscotch.a', 'libscotcherr.a']
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@boegel boegel Oct 26, 2022

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please sort these library names alphabetically, much easier for human eyes?

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@satishskamath satishskamath Oct 26, 2022

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Done!. :)

scotch_libs = [os.path.join(scotch, "lib", x) for x in req_scotch_libs]
lib_spec = "-lib=[%s]" % ','.join(scotch_libs)
self.cfg.update('configopts', ' '.join([withdep + spec for spec in ['=1', inc_spec, lib_spec]]))
# SuiteSparse options changed in PETSc 3.5,
suitesparse = get_software_root('SuiteSparse')
if suitesparse:
if LooseVersion(self.version) >= LooseVersion("3.5"):
withdep = "--with-suitesparse"
# specified order of libs matters!
ss_libs = ["UMFPACK", "KLU", "CHOLMOD", "BTF", "CCOLAMD", "COLAMD", "CAMD", "AMD"]
# More libraries added after version 3.17
if LooseVersion(self.version) >= LooseVersion("3.17"):
# specified order of libs matters!
ss_libs = ["UMFPACK", "KLU", "SPQR", "CHOLMOD", "BTF", "CCOLAMD",
"COLAMD", "CSparse", "CXSparse", "LDL", "RBio",
"SLIP_LU", "CAMD", "AMD"]

suitesparse_inc = [os.path.join(suitesparse, x, "Include")
for x in ss_libs]
suitesparse_inc.append(os.path.join(suitesparse, "SuiteSparse_config"))
inc_spec = "-include=[%s]" % ','.join(suitesparse_inc)

suitesparse_libs = [os.path.join(suitesparse, x, "Lib", "lib%s.a" % x.lower())
suitesparse_libs = [os.path.join(suitesparse, x, "Lib", "lib%s.a" % x.replace("_", "").lower())
for x in ss_libs]
suitesparse_libs.append(os.path.join(suitesparse, "SuiteSparse_config", "libsuitesparseconfig.a"))
lib_spec = "-lib=[%s]" % ','.join(suitesparse_libs)
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