[PATCH] gnu: Add libpetsc

[Eric Bavier <ericbavier@gmail.com>]

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Comments welcome.


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From 73b22ecbc690a2acde4a5cd8a7f6f9b1f220bfe1 Mon Sep 17 00:00:00 2001
From: Eric Bavier <bavier@member.fsf.org>
Date: Wed, 30 Apr 2014 14:01:43 -0500
Subject: [PATCH] gnu: Add libpetsc

* gnu/packages/maths.scm (libpetsc): New variable.
  (libpetsc-complex): New variable.
* gnu/packages/patches/petsc-fix-threadcomm.patch: New patch.
* gnu-system.am (dist_patch_DATA): Add it.
---
 gnu-system.am                                   |  1 +
 gnu/packages/maths.scm                          | 92 +++++++++++++++++++++++++
 gnu/packages/patches/petsc-fix-threadcomm.patch | 12 ++++
 3 files changed, 105 insertions(+)
 create mode 100644 gnu/packages/patches/petsc-fix-threadcomm.patch

diff --git a/gnu-system.am b/gnu-system.am
index c18db0d..0bf3eec 100644
--- a/gnu-system.am
+++ b/gnu-system.am
@@ -323,6 +323,7 @@ dist_patch_DATA =						\
   gnu/packages/patches/patchelf-page-size.patch			\
   gnu/packages/patches/patchutils-xfail-gendiff-tests.patch	\
   gnu/packages/patches/perl-no-sys-dirs.patch			\
+  gnu/packages/patches/petsc-fix-threadcomm.patch		\
   gnu/packages/patches/plotutils-libpng-jmpbuf.patch		\
   gnu/packages/patches/procps-make-3.82.patch			\
   gnu/packages/patches/python-fix-tests.patch			\
diff --git a/gnu/packages/maths.scm b/gnu/packages/maths.scm
index 1bbd236..dea2eee 100644
--- a/gnu/packages/maths.scm
+++ b/gnu/packages/maths.scm
@@ -366,3 +366,95 @@ post-processing. The specification of any input to these modules is done
 either interactively using the graphical user interface or in ASCII text files
 using Gmsh's own scripting language.")
     (license license:gpl2+)))
+
+(define-public libpetsc
+  (package
+    (name "libpetsc")
+    (version "3.4.4")
+    (source
+     (origin
+      (method url-fetch)
+      ;; The *-lite-* tarball does not contain the *large* documentation
+      (uri (string-append "http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/"
+                          "petsc-lite-" version ".tar.gz"))
+      (sha256
+       (base32 "0v5dg6dhdjpi5ianvd4mm6hsvxzv1bsxwnh9f9myag0a0d9xk9iv"))
+      (patches
+       (list (search-patch "petsc-fix-threadcomm.patch")))))
+    (build-system gnu-build-system)
+    (native-inputs
+     `(("cmake" ,cmake)
+       ("python" ,python-2)
+       ("perl" ,perl)))
+    (inputs
+     `(("gfortran" ,gfortran-4.8)
+       ("lapack" ,lapack)
+       ;; leaving out hdf5 and fftw, as petsc expects them to be built with mpi
+       ;; leaving out opengl, as configuration seems to only be for mac
+       ))
+    (arguments
+     `(#:test-target "test"
+       #:parallel-build? #f
+       #:configure-flags
+       `("--with-mpi=0"
+         "--with-openmp=1")
+       #:phases
+       (alist-replace
+        'configure
+        ;; PETSc's configure script is actually a python script, so we can't
+        ;; run it with bash.
+        (lambda* (#:key outputs (configure-flags '())
+                  #:allow-other-keys)
+          (let* ((prefix (assoc-ref outputs "out"))
+                 (flags `(,(string-append "--prefix=" prefix)
+                          ,@configure-flags)))
+            (format #t "build directory: ~s~%" (getcwd))
+            (format #t "configure flags: ~s~%" flags)
+            (zero? (apply system* "./configure" flags))))
+        (alist-cons-after
+         'install 'clean-local-references
+         ;; Try to keep installed files from leaking build directory paths.
+         ;; Fortran modules will have references to the build directory
+         ;; because cmake passes absolute path names to the compiler.
+         (lambda* (#:key inputs outputs #:allow-other-keys)
+           (let ((out     (assoc-ref outputs "out"))
+                 (fortran (assoc-ref inputs  "gfortran")))
+             (substitute* (map (lambda (file)
+                                 (string-append out "/" file))
+                               '("conf/petscvariables"
+                                 "conf/PETScConfig.cmake"
+                                 "include/petscconf.h"
+                                 "include/petscmachineinfo.h"))
+               (((getcwd)) out))
+             ;; Make compiler references point to the store
+             (substitute* (string-append out "/conf/petscvariables")
+               (("= g(cc|\\+\\+|fortran)" _ suffix)
+                (string-append "= " fortran "/bin/g" suffix)))
+             ;; PETSc installs some build logs, which aren't necessary.
+             (for-each (lambda (file)
+                         (delete-file (string-append out "/" file)))
+                       '("conf/configure.log"
+                         "conf/make.log"
+                         "conf/test.log"
+                         "conf/RDict.db"
+                         ;; Once installed, should uninstall with Guix
+                         "conf/uninstall.py"))))
+         %standard-phases))))
+    (home-page "http://www.mcs.anl.gov/petsc")
+    (synopsis "Library to solve ODEs and algebraic equations")
+    (description "PETSc, pronounced PET-see (the S is silent), is a suite of
+data structures and routines for the scalable (parallel) solution of
+scientific applications modeled by partial differential equations.")
+    (license (license:bsd-style
+              "http://www.mcs.anl.gov/petsc/documentation/copyright.html"))))
+
+(define-public libpetsc-complex
+  (package (inherit libpetsc)
+    (name "libpetsc-complex")
+    (arguments
+     (substitute-keyword-arguments (package-arguments libpetsc)
+       ((#:configure-flags cf)
+        `(cons "--with-scalar-type=complex" ,cf))))
+    (description
+     (string-append (package-description libpetsc)
+                    "  Complex scalar type version."))))
diff --git a/gnu/packages/patches/petsc-fix-threadcomm.patch b/gnu/packages/patches/petsc-fix-threadcomm.patch
new file mode 100644
index 0000000..7ef1876
--- /dev/null
+++ b/gnu/packages/patches/petsc-fix-threadcomm.patch
@@ -0,0 +1,12 @@
+--- a/src/sys/threadcomm/impls/openmp/tcopenmp.c	2014-03-13 21:47:22.000000000 -0500
++++ b/src/sys/threadcomm/impls/openmp/tcopenmp.c	2014-04-02 14:44:57.185170151 -0500
+@@ -1,6 +1,9 @@
+ #define PETSC_DESIRE_FEATURE_TEST_MACROS
+ #include <../src/sys/threadcomm/impls/openmp/tcopenmpimpl.h>
+ #include <omp.h>
++#if defined(PETSC_HAVE_SCHED_CPU_SET_T)
++#include <sched.h>
++#endif
+ 
+ PetscErrorCode PetscThreadCommGetRank_OpenMP(PetscInt *trank)
+ {
-- 
1.8.4


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-- 
`~Eric