# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) import glob import os import sys from spack.package import * class Mumps(Package): """MUMPS: a MUltifrontal Massively Parallel sparse direct Solver""" homepage = "https://graal.ens-lyon.fr/MUMPS/index.php" url = "https://graal.ens-lyon.fr/MUMPS/MUMPS_5.5.1.tar.gz" maintainers("jcortial-safran") version("5.6.2", sha256="13a2c1aff2bd1aa92fe84b7b35d88f43434019963ca09ef7e8c90821a8f1d59a") version("5.6.1", sha256="1920426d543e34d377604070fde93b8d102aa38ebdf53300cbce9e15f92e2896") version("5.6.0", sha256="3e08c1bdea7aaaba303d3cf03059f3b4336fa49bef93f4260f478f067f518289") version("5.5.1", sha256="1abff294fa47ee4cfd50dfd5c595942b72ebfcedce08142a75a99ab35014fa15") version("5.5.0", sha256="e54d17c5e42a36c40607a03279e0704d239d71d38503aab68ef3bfe0a9a79c13") version("5.4.1", sha256="93034a1a9fe0876307136dcde7e98e9086e199de76f1c47da822e7d4de987fa8") version("5.4.0", sha256="c613414683e462da7c152c131cebf34f937e79b30571424060dd673368bbf627") version("5.3.5", sha256="e5d665fdb7043043f0799ae3dbe3b37e5b200d1ab7a6f7b2a4e463fd89507fa4") version("5.3.3", sha256="27e7749ac05006bf8e81a457c865402bb72a42bf3bc673da49de1020f0f32011") version("5.2.0", sha256="41f2c7cb20d69599fb47e2ad6f628f3798c429f49e72e757e70722680f70853f") version("5.1.2", sha256="eb345cda145da9aea01b851d17e54e7eef08e16bfa148100ac1f7f046cd42ae9") version("5.1.1", sha256="a2a1f89c470f2b66e9982953cbd047d429a002fab9975400cef7190d01084a06") version("5.0.2", sha256="77292b204942640256097a3da482c2abcd1e0d5a74ecd1d4bab0f5ef6e60fe45") # Alternate location if main server is down. # version('5.0.1', sha256='50355b2e67873e2239b4998a46f2bbf83f70cdad6517730ab287ae3aae9340a0', # url='http://pkgs.fedoraproject.org/repo/pkgs/MUMPS/MUMPS_5.0.1.tar.gz/md5/b477573fdcc87babe861f62316833db0/MUMPS_5.0.1.tar.gz') version("5.0.1", sha256="50355b2e67873e2239b4998a46f2bbf83f70cdad6517730ab287ae3aae9340a0") variant("mpi", default=True, description="Compile MUMPS with MPI support") variant("scotch", default=False, description="Activate Scotch as a possible ordering library") variant( "ptscotch", default=False, description="Activate PT-Scotch as a possible ordering library" ) variant("metis", default=False, description="Activate Metis as a possible ordering library") variant( "parmetis", default=False, description="Activate Parmetis as a possible ordering library" ) variant("double", default=True, description="Activate the compilation of dmumps") variant("float", default=True, description="Activate the compilation of smumps") variant( "complex", default=True, description="Activate the compilation of cmumps and/or zmumps" ) variant("int64", default=False, description="Use int64_t/integer*8 as default index type") variant("incfort", default=False, description="Use explicit types size in fortran headers") variant("shared", default=True, description="Build shared libraries") variant("openmp", default=True, description="Compile MUMPS with OpenMP support") variant( "blr_mt", default=False, description="Allow BLAS calls in OpenMP regions " + "(warning: might not be supported by all multithread BLAS)", ) depends_on("scotch + esmumps", when="~ptscotch+scotch") depends_on("scotch + esmumps ~ metis + mpi", when="+ptscotch") depends_on("metis@5:", when="+metis") depends_on("parmetis", when="+parmetis") depends_on("blas") depends_on("lapack") depends_on("scalapack", when="+mpi") depends_on("mpi", when="+mpi") patch("examples.patch", when="@5.1.1%clang^spectrum-mpi") patch("gfortran8.patch", when="@5.1.2") # The following patches src/Makefile to fix some dependency # issues in lib[cdsz]mumps.so patch("mumps.src-makefile.5.2.patch", when="@5.2.0 +shared") patch("mumps.src-makefile.5.3.patch", when="@5.3.0:5.4.1 +shared") patch("mumps.src-makefile.5.5.patch", when="@5.5.0: +shared") conflicts("+parmetis", when="~mpi", msg="You cannot use the parmetis variant without mpi") conflicts("+parmetis", when="~metis", msg="You cannot use the parmetis variant without metis") conflicts("+ptscotch", when="~mpi", msg="You cannot use the ptscotch variant without mpi") conflicts("+blr_mt", when="~openmp", msg="You cannot use the blr_mt variant without openmp") @when("+incfort") def patch(self): """Set the effective integer type used during compilation. Usual usecase: building mumps with int and compiling a program that includes these headers with '-fdefault-integer-8'. """ headers = glob.glob("include/*.h") intsize = 8 if "+int64" in self.spec else 4 filter_file("INTEGER *,", "INTEGER({0}),".format(intsize), *headers) filter_file("INTEGER *::", "INTEGER({0}) ::".format(intsize), *headers) for typ in ("REAL", "COMPLEX", "LOGICAL"): filter_file("{0} *,".format(typ), "{0}(4),".format(typ), *headers) filter_file("{0} *::".format(typ), "{0}(4) ::".format(typ), *headers) def write_makefile_inc(self): # The makefile variables LIBBLAS, LSCOTCH, LMETIS, and SCALAP are only # used to link the examples, so if building '+shared' there is no need # to explicitly link with the respective libraries because we make sure # the mumps shared libraries are already linked with them. See also the # comment below about 'inject_libs'. This behaviour may cause problems # if building '+shared' and the used libraries were build static # without the PIC option. shared = "+shared" in self.spec lapack_blas = self.spec["lapack"].libs + self.spec["blas"].libs makefile_conf = ["LIBBLAS = %s" % lapack_blas.ld_flags if not shared else ""] orderings = ["-Dpord"] # All of the lib[cdsz]mumps.* libs depend on mumps_common extra_libs4mumps = ["-L$(topdir)/lib", "-lmumps_common"] # and mumps_common depends on pord extra_libs4mumps += ["-L$(topdir)/PORD/lib", "-lpord"] if "+ptscotch" in self.spec or "+scotch" in self.spec: makefile_conf.extend( [ "ISCOTCH = -I%s" % self.spec["scotch"].prefix.include, "LSCOTCH = {0}".format( self.spec["scotch"].libs.ld_flags if not shared else "" ), ] ) orderings.append("-Dscotch") if "+ptscotch" in self.spec: orderings.append("-Dptscotch") if "+parmetis" in self.spec: makefile_conf.extend( [ "IMETIS = -I%s" % self.spec["parmetis"].prefix.include, ( "LMETIS = -L%s -l%s -L%s -l%s" % ( self.spec["parmetis"].prefix.lib, "parmetis", self.spec["metis"].prefix.lib, "metis", ) ) if not shared else "LMETIS =", ] ) orderings.append("-Dparmetis") elif "+metis" in self.spec: makefile_conf.extend( [ "IMETIS = -I%s" % self.spec["metis"].prefix.include, ("LMETIS = -L%s -l%s" % (self.spec["metis"].prefix.lib, "metis")) if not shared else "LMETIS =", ] ) orderings.append("-Dmetis") makefile_conf.append("ORDERINGSF = %s" % (" ".join(orderings))) # Determine which compiler suite we are using using_gcc = self.compiler.name == "gcc" using_pgi = self.compiler.name == "pgi" using_nvhpc = self.compiler.name == "nvhpc" using_intel = self.compiler.name == "intel" using_oneapi = self.compiler.name == "oneapi" using_xl = self.compiler.name in ["xl", "xl_r"] using_fj = self.compiler.name == "fj" # The llvm compiler suite does not contain a Fortran compiler by # default. Its possible that a Spack user may have configured # ~/.spack//compilers.yaml for using xlf. using_xlf = using_xl or (spack_f77.endswith("xlf") or spack_f77.endswith("xlf_r")) # when building shared libs need -fPIC, otherwise # /usr/bin/ld: graph.o: relocation R_X86_64_32 against `.rodata.str1.1' # can not be used when making a shared object; recompile with -fPIC cpic = self.compiler.cc_pic_flag if shared else "" fpic = self.compiler.fc_pic_flag if shared else "" # TODO: test this part, it needs a full blas, scalapack and # partitionning environment with 64bit integers # The mumps.src-makefile.patch wants us to set these PIC variables makefile_conf.append("FC_PIC_FLAG={0}".format(fpic)) makefile_conf.append("CC_PIC_FLAG={0}".format(cpic)) opt_level = "3" if using_xl else "2" optc = ["-O{0}".format(opt_level)] optf = ["-O{0}".format(opt_level)] optl = ["-O{0}".format(opt_level)] if shared: optc.append(cpic) optf.append(fpic) optl.append(cpic) if not using_xlf: optf.append("-DALLOW_NON_INIT") if "+int64" in self.spec: if not using_xlf: # the fortran compilation flags most probably are # working only for intel and gnu compilers this is # perhaps something the compiler should provide optf.append("-fdefault-integer-8" if using_gcc else "-i8") optc.append("-DINTSIZE64") else: if using_xlf: optf.append("-qfixed") # With gfortran >= 10 we need to add '-fallow-argument-mismatch'. This # check handles mixed toolchains which are not handled by the method # 'flag_handler' defined below. # TODO: remove 'flag_handler' since this check covers that case too? if os.path.basename(spack_fc) == "gfortran": gfortran = Executable(spack_fc) gfort_ver = Version(gfortran("-dumpversion", output=str).strip()) if gfort_ver >= Version("10"): optf.append("-fallow-argument-mismatch") # As of version 5.2.0, MUMPS is able to take advantage # of the GEMMT BLAS extension. MKL and amdblis are the only # known BLAS implementation supported. if self.spec["blas"].name in INTEL_MATH_LIBRARIES and self.spec.satisfies("@5.2.0:"): optf.append("-DGEMMT_AVAILABLE") if "@5.2.0: ^amdblis@3.0:" in self.spec: optf.append("-DGEMMT_AVAILABLE") if "+openmp" in self.spec: optc.append(self.compiler.openmp_flag) optf.append(self.compiler.openmp_flag) optl.append(self.compiler.openmp_flag) # Using BLR_MT might not be supported by all multithreaded BLAS # (MKL is known to work) but it is not something we can easily # check so we trust that the user knows what he/she is doing. if "+blr_mt" in self.spec: optf.append("-DBLR_MT") makefile_conf.extend( [ "OPTC = {0}".format(" ".join(optc)), "OPTF = {0}".format(" ".join(optf)), "OPTL = {0}".format(" ".join(optl)), ] ) if "+mpi" in self.spec: scalapack = self.spec["scalapack"].libs if not shared else LibraryList([]) makefile_conf.extend( [ "CC = {0}".format(self.spec["mpi"].mpicc), "FC = {0}".format(self.spec["mpi"].mpifc), "FL = {0}".format(self.spec["mpi"].mpifc), "SCALAP = %s" % scalapack.ld_flags, "MUMPS_TYPE = par", ] ) else: makefile_conf.extend( [ "CC = {0}".format(spack_cc), "FC = {0}".format(spack_fc), "FL = {0}".format(spack_fc), "MUMPS_TYPE = seq", ] ) # For sequential MUMPS, we need to link to a fake MPI lib extra_libs4mumps += ["-L$(topdir)/libseq", "-lmpiseq"] # TODO: change the value to the correct one according to the # compiler possible values are -DAdd_, -DAdd__ and/or -DUPPER if using_intel or using_oneapi or using_pgi or using_nvhpc or using_fj: # Intel, PGI, and Fujitsu Fortran compiler provides # the main() function so C examples linked with the Fortran # compiler require a hack defined by _DMAIN_COMP # (see examples/c_example.c) makefile_conf.append("CDEFS = -DAdd_ -DMAIN_COMP") else: if not using_xlf: makefile_conf.append("CDEFS = -DAdd_") if "+shared" in self.spec: # All Mumps libraries will be linked with 'inject_libs'. inject_libs = [] if "+mpi" in self.spec: inject_libs += [self.spec["scalapack"].libs.ld_flags] if "+ptscotch" in self.spec or "+scotch" in self.spec: inject_libs += [self.spec["scotch"].libs.ld_flags] if "+parmetis" in self.spec and "+metis" in self.spec: inject_libs += [ "-L%s -l%s -L%s -l%s" % ( self.spec["parmetis"].prefix.lib, "parmetis", self.spec["metis"].prefix.lib, "metis", ) ] elif "+metis" in self.spec: inject_libs += ["-L%s -l%s" % (self.spec["metis"].prefix.lib, "metis")] inject_libs += [lapack_blas.ld_flags] inject_libs = " ".join(inject_libs) if sys.platform == "darwin": # Building dylibs with mpif90 causes segfaults on 10.8 and # 10.10. Use gfortran. (Homebrew) makefile_conf.extend( [ "LIBEXT=.dylib", "AR=%s -dynamiclib -Wl,-install_name -Wl,%s/$(notdir $@)" " -undefined dynamic_lookup %s -o " % (os.environ["FC"], prefix.lib, inject_libs), "RANLIB=echo", ] ) else: if using_xlf: build_shared_flag = "qmkshrobj" else: build_shared_flag = "shared" makefile_conf.extend( [ "LIBEXT=.so", "AR=link_cmd() { $(FL) -%s -Wl,-soname " '-Wl,$(notdir $@) -o "$$@" %s; }; link_cmd ' % (build_shared_flag, inject_libs), "RANLIB=ls", ] ) # When building libpord, read AR from Makefile.inc instead of # going through the make command line - this prevents various # problems with the substring "$$@". filter_file(r' AR="\$\(AR\)"', "", "Makefile") filter_file( r"^(INCLUDES = -I../include)", "\\1\ninclude ../../Makefile.inc", join_path("PORD", "lib", "Makefile"), ) else: makefile_conf.extend(["LIBEXT = .a", "AR = ar vr ", "RANLIB = ranlib"]) # The mumps.src-makefile.patch wants EXTRA_LIBS4MUMPS defined makefile_conf.extend(["EXTRA_LIBS4MUMPS = {0}".format(" ".join(extra_libs4mumps))]) makefile_inc_template = join_path(os.path.dirname(self.module.__file__), "Makefile.inc") with open(makefile_inc_template, "r") as fh: makefile_conf.extend(fh.read().split("\n")) with working_dir("."): with open("Makefile.inc", "w") as fh: makefile_inc = "\n".join(makefile_conf) fh.write(makefile_inc) def flag_handler(self, name, flags): if name == "fflags": if self.spec.satisfies("%gcc@10:"): if flags is None: flags = [] flags.append("-fallow-argument-mismatch") return (flags, None, None) def install(self, spec, prefix): self.write_makefile_inc() # Build fails in parallel # That is why we split the builds of 's', 'c', 'd', and/or 'z' which # can be build one after the other, each using a parallel build. letters_variants = [ ["s", "+float"], ["c", "+complex+float"], ["d", "+double"], ["z", "+complex+double"], ] for ltr, v in letters_variants: if v in spec: if self.spec.satisfies("@5.4:"): make(ltr) else: make(ltr + "examples") install_tree("lib", prefix.lib) install_tree("include", prefix.include) if "~mpi" in spec: lib_dsuffix = ".dylib" if sys.platform == "darwin" else ".so" lib_suffix = lib_dsuffix if "+shared" in spec else ".a" install("libseq/libmpiseq%s" % lib_suffix, prefix.lib) install(join_path("libseq", "*.h"), prefix.include) # FIXME: extend the tests to mpirun -np 2 when build with MPI # FIXME: use something like numdiff to compare output files # Note: In some cases, when 'mpi' is enabled, the examples below cannot # be run without 'mpirun', so we enabled the tests only if explicitly # requested with the Spack '--test' option. if self.run_tests: with working_dir("examples"): if "+float" in spec: ssimpletest = Executable("./ssimpletest") ssimpletest(input="input_simpletest_real") if "+complex" in spec: csimpletest = Executable("./csimpletest") csimpletest(input="input_simpletest_cmplx") if "+double" in spec: dsimpletest = Executable("./dsimpletest") dsimpletest(input="input_simpletest_real") if "+complex" in spec: zsimpletest = Executable("./zsimpletest") zsimpletest(input="input_simpletest_cmplx") @property def libs(self): component_libs = ["*mumps", "mumps_common", "pord"] return ( find_libraries( ["lib" + comp for comp in component_libs], root=self.prefix.lib, shared=("+shared" in self.spec), recursive=False, ) or None )