guix-glicid/glicid/packages/science.scm

(define-module (glicid packages science)
  #:use-module (guix licenses)
  #:use-module (guix packages)
  #:use-module (guix download)
  #:use-module (guix utils)
  #:use-module (guix build utils)
  #:use-module (guix build-system cmake)
  #:use-module (guix build-system gnu)
  #:use-module (gnu packages)
  #:use-module (gnu packages pkg-config)
  #:use-module (gnu packages qt)
  #:use-module (gnu packages gl)
  #:use-module (gnu packages boost)
  #:use-module (gnu packages algebra)
  #:use-module (gnu packages gdb)
  #:use-module (gnu packages sqlite)
  #:use-module (gnu packages image-processing)
  #:use-module (gnu packages graphics)
  #:use-module (gnu packages maths)
  #:use-module (gnu packages mpi)
  #:use-module (gnu packages python)
;  #:use-module (past packages python)
  #:use-module (gnu packages python-xyz)
  #:use-module (gnu packages sphinx)
  #:use-module (gnu packages commencement)
  #:use-module (gnu packages graphviz)
  #:use-module (gnu packages multiprecision)
  #:use-module (glicid packages mpi)
  #:use-module (glicid utils))

(define-public loki
  (package
    (name "loki")
    (version "0.1.7")
    (source (origin
              (method url-fetch)
              (uri (string-append
                    "https://downloads.sourceforge.net/project/loki-lib/Loki/Loki%200.1.7/loki-"
                    version ".zip"))
              (sha256
               (base32
                "0p23k4dipk5nnfpvhhqj9apz8rhnd62qdydjmzx8q78sxpwims4w"))))
    (build-system gnu-build-system)
    (inputs `(("gcc-toolchain" ,gcc-toolchain)))
    (synopsis
     "Loki is a C++ library of designs, containing flexible implementations of common design patterns and idioms.")
    (description
     "Loki is the name of a C++ software library written by Andrei Alexandrescu as part of his book Modern C++ Design.
    The library makes extensive use of C++ template metaprogramming and implements several commonly used tools: typelist, functor, singleton, smart pointer, object factory, visitor and multimethods.")
    (home-page "http://loki-lib.sourceforge.net/index.php?n=Main.HomePage")
    (license gpl3+)))

;; was commented out… guix repl is ok… so uncomment right now

(define-public yade-2022.01a
  (package
    (name "yade")
    (version "2022.01a")
    (source (origin
              (method url-fetch)
              (uri (string-append
                    "https://gitlab.com/yade-dev/trunk/-/archive/2022.01a/trunk-"
                    version ".tar.gz"))
              (sha256
               (base32
                "0k4hnvi70cqzl0q54kkbij6jwxydhfwcacp9s49n3fkaf1dihxiv"))))
    (build-system cmake-build-system)
    (arguments
     `(#:configure-flags (list "-DENABLE_POTENTIAL_BLOCKS=OFF"
                               (string-append "-DCMAKE_INSTALL_PREFIX="
                                              (assoc-ref %outputs "out"))
                               (string-append "-DQGLVIEWER_INCLUDE_DIR="
                                              (assoc-ref %build-inputs
                                                         "libqglviewer")))
       ;; (string-append "-DQGLVIEWER_INCLUDE_DIR="
       ;; libqglviewer))))
       #:phases (modify-phases %standard-phases
                  (add-after 'unpack 'post-unpack
                    (lambda* (#:key outputs inputs #:allow-other-keys)
                      (mkdir-p "./build")
                      (chdir "./build")))
                  (replace 'configure
                    (lambda* (#:key inputs outputs configure-flags
                              #:allow-other-keys)
                      (let ((out (assoc-ref outputs "out")))
                        (apply invoke "cmake" "../" configure-flags)))))
       #:tests? #f))
    ;; (lambda _ (invoke
    ;; "cmake" "../trunk"
    ;; configure-flags))))))
    (propagated-inputs `(("gdb" ,gdb)
                         ("sqlite" ,sqlite)
                         ("openmpi" ,openmpi)
                         ("python" ,python) ;; beware python 3.10 is *NOT* supported
                         ("python-numpy" ,python-numpy)
                         ("python-matplotlib" ,python-matplotlib)
                         ("python-sphinx" ,python-sphinx)
                         ("python-ipython" ,python-ipython)
                         ("python-mpi4py" ,python-mpi4py)
                         ("python-mpmath" ,python-mpmath)
                         ("python-pygraphviz" ,python-pygraphviz)
                         ("python-xlib" ,python-xlib)
                         ("python-future" ,python-future)
                         ("python-pyqt" ,python-pyqt)
                         ("python-pyqtwebengine" ,python-pyqtwebengine)
                         ("python-qtpy" ,python-qtpy)))
    (inputs `(("boost" ,boost)
              ("qtbase-5" ,qtbase-5)
              ;; ("qt" ,qt)
              ("freeglut" ,freeglut)
              ("gts" ,gts)
              ("pkg-config" ,pkg-config)
              ("libqglviewer" ,libqglviewer)
              ("eigen" ,eigen)
              ;; ("loki" ,loki)
              ;; ("vtk" ,vtk)
;;              ("qtwebkit" ,qtwebkit)
              ("openblas" ,openblas)
              ("suitesparse" ,suitesparse)
              ("gcc-toolchain" ,gcc-toolchain)
              ("metis" ,metis)
              ("cgal" ,cgal)
              ("qtsvg" ,qtsvg)
              ("qtwebengine" ,qtwebengine)
              ("mpfr" ,mpfr)))

    (synopsis
     "Yade is an extensible open-source framework for discrete numerical models, focused on Discrete Element Method.")
    (description
     "Yade is an extensible open-source framework for discrete numerical models, focused on Discrete Element Method. The computation parts are written in c++ using flexible object model, allowing independent implementation of new algorithms and interfaces. Python is used for rapid and concise scene construction, simulation control, postprocessing and debugging.")
    (home-page "https://www.yade-dem.org/")
    (license gpl3+)))

(define-public yade-2023.02a
 (package
  (inherit yade-2022.01a)
  (version "2023.02a")
    (source (origin
              (method url-fetch)
              (uri (string-append
                    "https://gitlab.com/yade-dev/trunk/-/archive/2023.02a/trunk-"
                    version ".tar.gz"))
              (sha256
               (base32
                "1hdhxyaqdavrwpvam759835zyhn49c777kclz9p720pjlw55lszp"))))))


(define-public yade yade-2022.01a)

(define-public yade-glicid-waves
  (package
    (inherit (transform-package ((instead-of "openmpi-glicid-waves" openmpi)
                                 yade) "waves"))
    (name "yade-glicid-waves")))