From mboxrd@z Thu Jan 1 00:00:00 1970 Received: from eggs.gnu.org ([2001:4830:134:3::10]:44222) by lists.gnu.org with esmtp (Exim 4.71) (envelope-from ) id 1eXVB5-0005n8-2U for guix-patches@gnu.org; Fri, 05 Jan 2018 11:49:08 -0500 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1eXVB0-0004U4-S5 for guix-patches@gnu.org; Fri, 05 Jan 2018 11:49:06 -0500 Received: from debbugs.gnu.org ([208.118.235.43]:56756) by eggs.gnu.org with esmtps (TLS1.0:RSA_AES_128_CBC_SHA1:16) (Exim 4.71) (envelope-from ) id 1eXVB0-0004Th-Kv for guix-patches@gnu.org; Fri, 05 Jan 2018 11:49:02 -0500 Received: from Debian-debbugs by debbugs.gnu.org with local (Exim 4.84_2) (envelope-from ) id 1eXVB0-0006pY-9x for guix-patches@gnu.org; Fri, 05 Jan 2018 11:49:02 -0500 Subject: [bug#29993] [PATCH 1/2] gnu: Add domainfinder. Resent-Message-ID: Received: from eggs.gnu.org ([2001:4830:134:3::10]:43948) by lists.gnu.org with esmtp (Exim 4.71) (envelope-from ) id 1eXVAK-0005ht-9Y for guix-patches@gnu.org; Fri, 05 Jan 2018 11:48:22 -0500 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1eXVAF-0003vv-4m for guix-patches@gnu.org; Fri, 05 Jan 2018 11:48:20 -0500 Received: from smtp.synchrotron.fr ([195.221.0.32]:39800 helo=poussette.synchrotron-soleil.fr) by eggs.gnu.org with esmtp (Exim 4.71) (envelope-from ) id 1eXVAE-0003sG-OH for guix-patches@gnu.org; Fri, 05 Jan 2018 11:48:14 -0500 From: Konrad Hinsen Date: Fri, 5 Jan 2018 17:06:22 +0100 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="utf-8" Content-Transfer-Encoding: quoted-printable List-Id: List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Errors-To: guix-patches-bounces+kyle=kyleam.com@gnu.org Sender: "Guix-patches" To: 29993@debbugs.gnu.org * 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 =C2=A9 2018 Konrad Hinsen +;;; +;;; 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 . + +(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 determina= tion +and characterization of dynamical domains in proteins. It can infer dynam= ical +domains by comparing two protein structures, or from normal mode analysis = on a +single structure. The software is currently not actively maintained and w= orks +only with Python 2 and NumPy < 1.9.") + (license license:cecill-c))) --=20 2.14.3 (Apple Git-98)