diff options
| -rw-r--r-- | gnu/local.mk | 1 | ||||
| -rw-r--r-- | gnu/packages/chemistry.scm | 53 |
2 files changed, 54 insertions, 0 deletions
diff --git a/gnu/local.mk b/gnu/local.mk index e9ee25e4a8..679c119a5f 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 0000000000..0cd1585e92 --- /dev/null +++ b/gnu/packages/chemistry.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))) |