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authorEric Bavier <bavier@cray.com>2018-07-31 11:04:19 -0500
committerEric Bavier <bavier@member.fsf.org>2018-09-05 08:10:31 -0500
commitb26e4f26ff0bfede3dc17db48dce2936ecd0c129 (patch)
tree2b2fac0ed14d366590ce96891c01c708c72362ca /gnu/packages/maths.scm
parent296f091b4879679cf970e1526d919c671c80a473 (diff)
downloadguix-b26e4f26ff0bfede3dc17db48dce2936ecd0c129.tar
guix-b26e4f26ff0bfede3dc17db48dce2936ecd0c129.tar.gz
gnu: Add SUNDIALS.
* gnu/packages/maths.scm (sundials, sundials-openmpi): New variables.
Diffstat (limited to 'gnu/packages/maths.scm')
-rw-r--r--gnu/packages/maths.scm77
1 files changed, 77 insertions, 0 deletions
diff --git a/gnu/packages/maths.scm b/gnu/packages/maths.scm
index 42136f65ea..c6bcec844b 100644
--- a/gnu/packages/maths.scm
+++ b/gnu/packages/maths.scm
@@ -4042,3 +4042,80 @@ terminal do calculations simply and quickly. The formula to be calculated can
be fed to @command{tcalc} through the command line.")
(home-page "https://sites.google.com/site/mohammedisam2000/tcalc")
(license license:gpl3+)))
+
+(define-public sundials
+ (package
+ (name "sundials")
+ (version "3.1.1")
+ (source
+ (origin
+ (method url-fetch)
+ (uri (string-append "https://computation.llnl.gov/projects/sundials/download/"
+ "sundials-" version ".tar.gz"))
+ (sha256
+ (base32
+ "090s8ymhd0g1s1d44fa73r5yi32hb4biwahhbfi327zd64yn8kd2"))))
+ (build-system cmake-build-system)
+ (native-inputs
+ `(("python" ,python-2))) ;for tests; syntax incompatible with python 3
+ (inputs
+ `(("fortran" ,gfortran) ;for fcmix
+ ("blas" ,openblas)
+ ("suitesparse" ,suitesparse))) ;TODO: Add hypre
+ (arguments
+ `(#:configure-flags `("-DEXAMPLES_ENABLE_C:BOOL=ON"
+ "-DEXAMPLES_ENABLE_CXX:BOOL=ON"
+ "-DEXAMPLES_ENABLE_F77:BOOL=ON"
+ "-DEXAMPLES_ENABLE_F90:BOOL=ON"
+ "-DEXAMPLES_INSTALL:BOOL=OFF"
+
+ "-DFCMIX_ENABLE:BOOL=ON"
+
+ "-DKLU_ENABLE:BOOL=ON"
+ ,(string-append "-DKLU_INCLUDE_DIR="
+ (assoc-ref %build-inputs "suitesparse")
+ "/include")
+ ,(string-append "-DKLU_LIBRARY_DIR="
+ (assoc-ref %build-inputs "suitesparse")
+ "/lib"))))
+ (home-page "https://computation.llnl.gov/projects/sundials")
+ (synopsis "Suite of nonlinear and differential/algebraic equation solvers")
+ (description "SUNDIALS is a family of software packages implemented with
+the goal of providing robust time integrators and nonlinear solvers that can
+easily be incorporated into existing simulation codes.")
+ (license license:bsd-3)))
+
+(define-public sundials-openmpi
+ (package (inherit sundials)
+ (name "sundials-openmpi")
+ (inputs
+ `(("mpi" ,openmpi)
+ ("petsc" ,petsc-openmpi) ;support in SUNDIALS requires MPI
+ ,@(package-inputs sundials)))
+ (arguments
+ (substitute-keyword-arguments (package-arguments sundials)
+ ((#:configure-flags flags '())
+ `(cons* "-DMPI_ENABLE:BOOL=ON"
+ "-DPETSC_ENABLE:BOOL=ON"
+ (string-append "-DPETSC_INCLUDE_DIR="
+ (assoc-ref %build-inputs "petsc")
+ "/include")
+ (string-append "-DPETSC_LIBRARY_DIR="
+ (assoc-ref %build-inputs "petsc")
+ "/lib")
+ ,flags))
+ ((#:phases phases '%standard-phases)
+ `(modify-phases ,phases
+ (add-before 'check 'set-test-environment
+ (lambda _
+ ;; By default, running the test suite would fail because 'ssh'
+ ;; could not be found in $PATH. Define this variable to
+ ;; placate Open MPI without adding a dependency on OpenSSH (the
+ ;; agent isn't used anyway.)
+ (setenv "OMPI_MCA_plm_rsh_agent" (which "cat"))
+ ;; Allow oversubscription in case there are less
+ ;; physical cores available in the build environment
+ ;; than SUNDIALS wants while testing.
+ (setenv "OMPI_MCA_rmaps_base_oversubscribe" "yes")
+ #t))))))
+ (synopsis "SUNDIALS with OpenMPI support")))