From b26e4f26ff0bfede3dc17db48dce2936ecd0c129 Mon Sep 17 00:00:00 2001 From: Eric Bavier Date: Tue, 31 Jul 2018 11:04:19 -0500 Subject: gnu: Add SUNDIALS. * gnu/packages/maths.scm (sundials, sundials-openmpi): New variables. --- gnu/packages/maths.scm | 77 ++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 77 insertions(+) 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"))) -- cgit v1.2.3