[bug#29993] [PATCH 1/2] gnu: Add domainfinder.

[bug#29993] [PATCH 1/2] gnu: Add domainfinder.

[Konrad Hinsen]

* gnu/packages/chemistry.scm: New file.
---
 gnu/packages/chemistry.scm | 54 ++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 54 insertions(+)
 create mode 100644 gnu/packages/chemistry.scm

diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
new file mode 100644
index 000000000..871d6f668
--- /dev/null
+++ b/gnu/packages/chemistry.scm
@@ -0,0 +1,54 @@
+;;; 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"))
+       (file-name (string-append "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)))
-- 
2.14.3 (Apple Git-98)

bug#29993: [PATCH 1/2] gnu: Add domainfinder.

[Leo Famulari]

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On Fri, Jan 05, 2018 at 05:06:22PM +0100, Konrad Hinsen wrote:
> * gnu/packages/chemistry.scm: New file.

Thanks!

I added the new file to the list of GNU_SYSTEM_MODULES in gnu/local.mk
and ...

> +    (source
> +     (origin
> +       (method url-fetch)
> +       (uri (string-append "https://bitbucket.org/khinsen/"
> +                           "domainfinder/downloads/DomainFinder-"
> +                           version ".tar.gz"))
> +       (file-name (string-append "DomainFinder-" version ".tar.gz"))

... removed this file-name field, which seems redundant because the file
we get is already descriptively named.

Pushed as 73114e30cb46182f3dbc56cd6e142f3af19a12c3

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