73114e30cb
* gnu/packages/chemistry.scm: New file. * gnu/local.mk (GNU_SYSTEM_MODULES): Add it. Signed-off-by: Leo Famulari <leo@famulari.name>
53 lines
2.1 KiB
Scheme
53 lines
2.1 KiB
Scheme
;;; GNU Guix --- Functional package management for GNU
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;;; Copyright © 2018 Konrad Hinsen <konrad.hinsen@fastmail.net>
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;;;
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;;; This file is part of GNU Guix.
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;;;
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;;; GNU Guix is free software; you can redistribute it and/or modify it
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;;; under the terms of the GNU General Public License as published by
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;;; the Free Software Foundation; either version 3 of the License, or (at
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;;; your option) any later version.
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;;;
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;;; GNU Guix is distributed in the hope that it will be useful, but
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;;; WITHOUT ANY WARRANTY; without even the implied warranty of
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;;; MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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;;; GNU General Public License for more details.
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;;;
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;;; You should have received a copy of the GNU General Public License
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;;; along with GNU Guix. If not, see <http://www.gnu.org/licenses/>.
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(define-module (gnu packages chemistry)
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#:use-module (guix packages)
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#:use-module ((guix licenses) #:prefix license:)
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#:use-module (guix download)
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#:use-module (gnu packages python)
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#:use-module (guix build-system python))
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(define-public domainfinder
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(package
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(name "domainfinder")
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(version "2.0.5")
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(source
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(origin
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(method url-fetch)
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(uri (string-append "https://bitbucket.org/khinsen/"
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"domainfinder/downloads/DomainFinder-"
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version ".tar.gz"))
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(sha256
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(base32
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"1z26lsyf7xwnzwjvimmbla7ckipx6p734w7y0jk2a2fzci8fkdcr"))))
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(build-system python-build-system)
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(inputs
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`(("python-mmtk" ,python2-mmtk)))
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(arguments
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`(#:python ,python-2
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;; No test suite
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#:tests? #f))
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(home-page "http://dirac.cnrs-orleans.fr/DomainFinder")
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(synopsis "Analysis of dynamical domains in proteins")
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(description "DomainFinder is an interactive program for the determination
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and characterization of dynamical domains in proteins. It can infer dynamical
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domains by comparing two protein structures, or from normal mode analysis on a
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single structure. The software is currently not actively maintained and works
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only with Python 2 and NumPy < 1.9.")
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(license license:cecill-c)))
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