01/02: gnu: Add domainfinder.

[Leo Famulari]

lfam pushed a commit to branch master
in repository guix.

commit 73114e30cb46182f3dbc56cd6e142f3af19a12c3
Author: Konrad Hinsen <address@hidden>
Date:   Fri Jan 5 17:06:22 2018 +0100

    gnu: Add domainfinder.
    
    * gnu/packages/chemistry.scm: New file.
    * gnu/local.mk (GNU_SYSTEM_MODULES): Add it.
    
    Signed-off-by: Leo Famulari <address@hidden>
---
 gnu/local.mk               |  1 +
 gnu/packages/chemistry.scm | 53 ++++++++++++++++++++++++++++++++++++++++++++++
 2 files changed, 54 insertions(+)

diff --git a/gnu/local.mk b/gnu/local.mk
index e9ee25e..679c119 100644
--- a/gnu/local.mk
+++ b/gnu/local.mk
@@ -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                    \
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
new file mode 100644
index 0000000..0cd1585
--- /dev/null
+++ b/gnu/packages/chemistry.scm
@@ -0,0 +1,53 @@
+;;; GNU Guix --- Functional package management for GNU
+;;; Copyright © 2018 Konrad Hinsen <address@hidden>
+;;;
+;;; 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)))