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-rw-r--r--gnu/packages/maths.scm237
1 files changed, 133 insertions, 104 deletions
diff --git a/gnu/packages/maths.scm b/gnu/packages/maths.scm
index cccc3636a4..871b4a5a3f 100644
--- a/gnu/packages/maths.scm
+++ b/gnu/packages/maths.scm
@@ -48,6 +48,7 @@
(define-module (gnu packages maths)
#:use-module (ice-9 regex)
+ #:use-module (ice-9 match)
#:use-module (gnu packages)
#:use-module ((guix licenses) #:prefix license:)
#:use-module (guix packages)
@@ -2297,20 +2298,18 @@ also provides threshold-based ILU factorization preconditioners.")
(define-public superlu-dist
(package
(name "superlu-dist")
- (version "5.3.0")
+ (version "6.1.0")
(source
(origin
(method url-fetch)
(uri (string-append "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/"
"superlu_dist_" version ".tar.gz"))
(sha256
- (base32 "0ja5ihqivkda1wd58y4lmzvmwssm9g91f70c5q0fzwhng6580h6y"))
+ (base32 "0pqgcgh1yxhfzs99fas3mggajzd5wca3nbyp878rziy74gfk03dl"))
(modules '((guix build utils)))
(snippet
;; Replace the non-free implementation of MC64 with a stub
'(begin
- (use-modules (ice-9 regex)
- (ice-9 rdelim))
(call-with-output-file "SRC/mc64ad_dist.c"
(lambda (port)
(display "
@@ -2326,92 +2325,57 @@ void mc64ad_dist (int *a, int *b, int *c, int *d, int *e, double *f, int *g,
abort ();
}\n" port)))
(substitute* "SRC/util.c" ;adjust default algorithm
- (("RowPerm[[:blank:]]*=[[:blank:]]*LargeDiag")
- "RowPerm = NOROWPERM"))
+ (("RowPerm[[:blank:]]*=[[:blank:]]*LargeDiag_MC64;")
+ ;; TODO: set to "LargeDiag_AWPM" once combinatorial-blas has
+ ;; general (i.e. non-square) processor-grid support.
+ "RowPerm = NOROWPERM;"))
#t))
- (patches (search-patches "superlu-dist-scotchmetis.patch"))))
- (build-system gnu-build-system)
+ (patches (search-patches "superlu-dist-scotchmetis.patch"
+ "superlu-dist-awpm-grid.patch"))))
+ (build-system cmake-build-system)
(native-inputs
`(("tcsh" ,tcsh)))
(inputs
- `(("gfortran" ,gfortran)))
+ `(("gfortran" ,gfortran)
+ ("blas" ,openblas)
+ ("lapack" ,lapack)
+ ("combblas" ,combinatorial-blas)))
(propagated-inputs
- `(("openmpi" ,openmpi) ;headers include MPI heades
- ("lapack" ,lapack) ;required to link with output library
- ("pt-scotch" ,pt-scotch))) ;same
+ `(("mpi" ,openmpi) ;headers include MPI heades
+ ("parmetis" ,pt-scotch32 "metis")
+ ("pt-scotch" ,pt-scotch32)))
(arguments
- `(#:parallel-build? #f ;race conditions using ar
+ `(#:parallel-tests? #f ;tests use MPI and OpenMP
+ #:configure-flags (list "-DBUILD_SHARED_LIBS:BOOL=YES"
+ "-DTPL_ENABLE_COMBBLASLIB=YES"
+ "-DTPL_BLAS_LIBRARIES=-lopenblas"
+ "-DTPL_LAPACK_LIBRARIES=-llapack"
+ (string-append "-DTPL_PARMETIS_LIBRARIES="
+ (string-join
+ '("ptscotchparmetis" "ptscotch" "ptscotcherr"
+ "scotchmetis" "scotch" "scotcherr")
+ ";"))
+ (string-append "-DTPL_PARMETIS_INCLUDE_DIRS="
+ (assoc-ref %build-inputs "parmetis")
+ "/include")
+ "-DTPL_ENABLE_COMBBLASLIB=ON"
+ (string-append "-DTPL_COMBBLAS_INCLUDE_DIRS="
+ (assoc-ref %build-inputs "combblas")
+ "/include/CombBLAS;"
+ (assoc-ref %build-inputs "combblas")
+ "/include/BipartiteMatchings")
+ "-DTPL_COMBBLAS_LIBRARIES=CombBLAS")
#:phases
(modify-phases %standard-phases
- (replace 'configure
- (lambda* (#:key inputs outputs #:allow-other-keys)
- (call-with-output-file "make.inc"
- (lambda (port)
- (format port "
-PLAT =
-DSuperLUroot = ~a
-DSUPERLULIB = ~a/lib/libsuperlu_dist.a
-BLASDEF = -DUSE_VENDOR_BLAS
-BLASLIB = -L~a/lib -lblas
-PARMETISLIB = -L~a/lib \
- -lptscotchparmetis -lptscotch -lptscotcherr -lptscotcherrexit \
- -lscotch -lscotcherr -lscotcherrexit
-METISLIB = -L~:*~a/lib \
- -lscotchmetis -lscotch -lscotcherr -lscotcherrexit
-LIBS = $(DSUPERLULIB) $(PARMETISLIB) $(METISLIB) $(BLASLIB)
-ARCH = ar
-ARCHFLAGS = cr
-RANLIB = ranlib
-CC = mpicc
-PIC = -fPIC
-CFLAGS = -O3 -g -DPRNTlevel=0 $(PIC)
-NOOPTS = -O0 -g $(PIC)
-FORTRAN = mpifort
-FFLAGS = -O2 -g $(PIC)
-LOADER = $(CC)
-CDEFS = -DAdd_"
- (getcwd)
- (assoc-ref outputs "out")
- (assoc-ref inputs "lapack")
- (assoc-ref inputs "pt-scotch"))))
- #t))
- (add-after 'unpack 'remove-broken-symlinks
+ (add-before 'configure 'set-c++-standard
(lambda _
- (for-each delete-file
- (find-files "MAKE_INC" "\\.#make\\..*"))
- #t))
- (add-before 'build 'create-install-directories
- (lambda* (#:key outputs #:allow-other-keys)
- (for-each
- (lambda (dir)
- (mkdir-p (string-append (assoc-ref outputs "out")
- "/" dir)))
- '("lib" "include"))
- #t))
+ (substitute* "CMakeLists.txt"
+ ;; AWPM headers require C++14
+ (("CMAKE_CXX_STANDARD 11") "CMAKE_CXX_STANDARD 14"))))
(add-before 'check 'mpi-setup
,%openmpi-setup)
- (replace 'check
- (lambda _
- (with-directory-excursion "EXAMPLE"
- (invoke "mpirun" "-n" "2"
- "./pddrive" "-r" "1" "-c" "2" "g20.rua")
- (invoke "mpirun" "-n" "2"
- "./pzdrive" "-r" "1" "-c" "2" "cg20.cua"))
- #t))
- (replace 'install
- (lambda* (#:key outputs #:allow-other-keys)
- ;; Library is placed in lib during the build phase. Copy over
- ;; headers to include.
- (let* ((out (assoc-ref outputs "out"))
- (incdir (string-append out "/include")))
- (for-each (lambda (file)
- (let ((base (basename file)))
- (format #t "installing `~a' to `~a'~%"
- base incdir)
- (copy-file file
- (string-append incdir "/" base))))
- (find-files "SRC" ".*\\.h$")))
- #t)))))
+ (add-before 'check 'omp-setup
+ (lambda _ (setenv "OMP_NUM_THREADS" "1") #t)))))
(home-page (package-home-page superlu))
(synopsis "Parallel supernodal direct solver")
(description
@@ -2423,25 +2387,25 @@ implemented in ANSI C, and MPI for communications.")
(define-public scotch
(package
(name "scotch")
- (version "6.0.5a")
+ (version "6.0.6")
(source
(origin
(method url-fetch)
(uri (string-append "https://gforge.inria.fr/frs/download.php/"
"latestfile/298/scotch_" version ".tar.gz"))
(sha256
- (base32 "0vsmgjz8qv80di3ljmc7hbdsizxxxwy2b9rgd2fl1mdc6dgbj8av"))
- (patches (search-patches "scotch-test-threading.patch"
- "scotch-build-parallelism.patch"
- "scotch-graph-induce-type-64.patch"
- "scotch-graph-diam-64.patch"))))
+ (base32 "1ky4k9r6jvajhqaqnnx6h8fkmds2yxgp70dpr1qzwcyhi2nhqvv8"))
+ (patches (search-patches "scotch-build-parallelism.patch"
+ "scotch-integer-declarations.patch"))))
(build-system gnu-build-system)
(inputs
`(("zlib" ,zlib)
("flex" ,flex)
("bison" ,bison)))
+ (outputs '("out" "metis"))
(arguments
- `(#:phases
+ `(#:make-flags (list (string-append "prefix=" %output))
+ #:phases
(modify-phases %standard-phases
(add-after
'unpack 'chdir-to-src
@@ -2476,7 +2440,7 @@ YACC = bison -pscotchyy -y -b y
'("COMMON_FILE_COMPRESS_GZ"
"COMMON_PTHREAD"
"COMMON_RANDOM_FIXED_SEED"
- "INTSIZE64" ;use 'long' instead of 'int'
+ "INTSIZE64" ;use 'int64_t'
;; Prevents symbolc clashes with libesmumps
"SCOTCH_RENAME"
;; XXX: Causes invalid frees in superlu-dist tests
@@ -2489,22 +2453,21 @@ YACC = bison -pscotchyy -y -b y
(invoke "make"
(format #f "-j~a" (parallel-job-count))
"esmumps")))
- (replace
- 'install
- (lambda* (#:key outputs #:allow-other-keys)
- (let ((out (assoc-ref outputs "out")))
- (mkdir out)
- (invoke "make"
- (string-append "prefix=" out)
- "install")
- ;; esmumps files are not installed with the above
- (for-each (lambda (f)
- (copy-file f (string-append out "/include/" f)))
- (find-files "../include" ".*esmumps.h$"))
- (for-each (lambda (f)
- (copy-file f (string-append out "/lib/" f)))
- (find-files "../lib" "^lib.*esmumps.*"))
- #t))))))
+ (add-before 'install 'make-install-dirs
+ (lambda* (#:key outputs #:allow-other-keys)
+ (mkdir (assoc-ref outputs "out"))))
+ (add-after 'install 'install-metis
+ (lambda* (#:key outputs #:allow-other-keys)
+ (let ((out (assoc-ref outputs "metis")))
+ (mkdir out)
+ ;; metis files are not installed with 'make install'
+ (for-each (lambda (f)
+ (install-file f (string-append out "/include")))
+ (find-files "../include/" ".*metis\\.h"))
+ (for-each (lambda (f)
+ (install-file f (string-append out "/lib")))
+ (find-files "../lib/" ".*metis\\..*"))
+ #t))))))
(home-page "http://www.labri.fr/perso/pelegrin/scotch/")
(synopsis "Programs and libraries for graph algorithms")
(description "SCOTCH is a set of programs and libraries which implement
@@ -2742,6 +2705,7 @@ to BMP, JPEG or PNG image formats.")
(inputs
`(("gcl" ,gcl)
("gnuplot" ,gnuplot) ;for plots
+ ("sed" ,sed)
("tk" ,tk))) ;Tcl/Tk is used by 'xmaxima'
(native-inputs
`(("texinfo" ,texinfo)
@@ -2764,6 +2728,17 @@ to BMP, JPEG or PNG image formats.")
#:make-flags (list "TMPDIR=/tmp")
#:phases
(modify-phases %standard-phases
+ (add-after 'unpack 'patch-paths
+ (lambda* (#:key inputs #:allow-other-keys)
+ (let* ((sed (string-append (assoc-ref inputs "sed") "/bin/sed"))
+ (coreutils (assoc-ref inputs "coreutils"))
+ (dirname (string-append coreutils "/bin/dirname"))
+ (head (string-append coreutils "/bin/head")))
+ (substitute* "src/maxima.in"
+ (("sed ") (string-append sed " "))
+ (("dirname") dirname)
+ (("head") head))
+ #t)))
(add-before 'check 'pre-check
(lambda _
(chmod "src/maxima" #o555)
@@ -3531,7 +3506,11 @@ in finite element programs.")
``("-DMPI_C_COMPILER=mpicc"
"-DMPI_CXX_COMPILER=mpicxx"
"-DMPI_Fortran_COMPILER=mpifort"
- ,@,cf))))
+ ,@,cf))
+ ((#:phases phases '%standard-phases)
+ `(modify-phases ,phases
+ (add-before 'check 'mpi-setup
+ ,%openmpi-setup)))))
(synopsis "Finite element library (with MPI support)")))
(define-public flann
@@ -4215,3 +4194,53 @@ easily be incorporated into existing simulation codes.")
(add-before 'check 'mpi-setup
,%openmpi-setup)))))
(synopsis "SUNDIALS with OpenMPI support")))
+
+(define-public combinatorial-blas
+ (package
+ (name "combinatorial-blas")
+ (version "1.6.2")
+ (source
+ (origin
+ (method url-fetch)
+ (uri (string-append "http://eecs.berkeley.edu/~aydin/CombBLAS_FILES/"
+ "CombBLAS_beta_"
+ (match (string-split version #\.)
+ ((major minor patch)
+ (string-append major minor "_" patch))) ;e.g. "16_2"
+ ".tgz"))
+ (sha256
+ (base32
+ "1a9wbgdqyy1whhfc0yl0yqkax3amnqa6iihhq48d063gc0jwfd9a"))
+ (patches (search-patches "combinatorial-blas-awpm.patch"
+ "combinatorial-blas-io-fix.patch"))))
+ (build-system cmake-build-system)
+ (inputs
+ `(("mpi" ,openmpi)
+ ("test-data" ,(origin
+ (method url-fetch)
+ (uri (string-append "https://people.eecs.berkeley.edu/~aydin/"
+ "CombBLAS_FILES/testdata_combblas1.6.1.tgz"))
+ (sha256
+ (base32
+ "01y2781cy3fww7znmidrp85mf8zx0c905w5vzvk1mgrmhhynim87"))))))
+ (arguments
+ `(#:configure-flags '("-DBUILD_SHARED_LIBS:BOOL=YES"
+ "-DCMAKE_CXX_FLAGS=-DUSE_FUNNEL")
+ #:parallel-tests? #f ;tests use 'mpiexec -n4'
+ #:phases
+ (modify-phases %standard-phases
+ (add-before 'check 'mpi-setup
+ ,%openmpi-setup)
+ (add-before 'check 'test-setup
+ (lambda* (#:key inputs #:allow-other-keys)
+ (setenv "OMP_NUM_THREADS" "2")
+ (invoke "tar" "xf" (assoc-ref inputs "test-data")))))))
+ (home-page "https://people.eecs.berkeley.edu/~aydin/CombBLAS/html/")
+ (synopsis "Linear algebra primitives for graph analytics")
+ (description "The Combinatorial BLAS (CombBLAS) is an extensible
+distributed-memory parallel graph library offering a small but powerful set of
+linear algebra primitives specifically targeting graph analytics.")
+ (license (list
+ license:gpl2+ ;include/psort/(funnel|sort)*.h
+ license:x11 ;usort and psort
+ license:bsd-3)))) ;CombBLAS and MersenneTwister.h
generated by cgit v1.2.3 (git 2.45.0) at 2024-11-19 10:27:03 +0000