2 files changed, 54 insertions(+), 0 deletions(-)

M gnu/local.mk
A gnu/packages/chemistry.scm

@@ 87,6 87,7 @@ GNU_SYSTEM_MODULES =				\
   %D%/packages/cdrom.scm			\
   %D%/packages/certs.scm			\
   %D%/packages/check.scm			\
+  %D%/packages/chemistry.scm			\
   %D%/packages/chez.scm				\
   %D%/packages/ci.scm				\
   %D%/packages/cinnamon.scm			\

@@ 0,0 1,53 @@
+;;; GNU Guix --- Functional package management for GNU
+;;; Copyright © 2018 Konrad Hinsen <konrad.hinsen@fastmail.net>
+;;;
+;;; This file is part of GNU Guix.
+;;;
+;;; GNU Guix is free software; you can redistribute it and/or modify it
+;;; under the terms of the GNU General Public License as published by
+;;; the Free Software Foundation; either version 3 of the License, or (at
+;;; your option) any later version.
+;;;
+;;; GNU Guix is distributed in the hope that it will be useful, but
+;;; WITHOUT ANY WARRANTY; without even the implied warranty of
+;;; MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+;;; GNU General Public License for more details.
+;;;
+;;; You should have received a copy of the GNU General Public License
+;;; along with GNU Guix.  If not, see <http://www.gnu.org/licenses/>.
+
+(define-module (gnu packages chemistry)
+  #:use-module (guix packages)
+  #:use-module ((guix licenses) #:prefix license:)
+  #:use-module (guix download)
+  #:use-module (gnu packages python)
+  #:use-module (guix build-system python))
+
+(define-public domainfinder
+  (package
+    (name "domainfinder")
+    (version "2.0.5")
+    (source
+     (origin
+       (method url-fetch)
+       (uri (string-append "https://bitbucket.org/khinsen/"
+                           "domainfinder/downloads/DomainFinder-"
+                           version ".tar.gz"))
+       (sha256
+        (base32
+         "1z26lsyf7xwnzwjvimmbla7ckipx6p734w7y0jk2a2fzci8fkdcr"))))
+    (build-system python-build-system)
+    (inputs
+     `(("python-mmtk" ,python2-mmtk)))
+    (arguments
+     `(#:python ,python-2
+       ;; No test suite
+       #:tests? #f))
+    (home-page "http://dirac.cnrs-orleans.fr/DomainFinder")
+    (synopsis "Analysis of dynamical domains in proteins")
+    (description "DomainFinder is an interactive program for the determination
+and characterization of dynamical domains in proteins.  It can infer dynamical
+domains by comparing two protein structures, or from normal mode analysis on a
+single structure.  The software is currently not actively maintained and works
+only with Python 2 and NumPy < 1.9.")
+    (license license:cecill-c)))