chlorop: new package (#4865)
* chlorop: new package * chlorop: moving main script to bin and moving runtime tmp location. * chlorop: fixing flake8 error. * chlorop: cleaning up, removing CHLOROTMP, advising user to set it. * chlorop: removing unused import
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						 Adam J. Stewart
						Adam J. Stewart
					
				
			
			
				
	
			
			
			 Adam J. Stewart
						Adam J. Stewart
					
				
			
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								var/spack/repos/builtin/packages/chlorop/chlorop.patch
									
									
									
									
									
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								var/spack/repos/builtin/packages/chlorop/chlorop.patch
									
									
									
									
									
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							| @@ -0,0 +1,36 @@ | ||||
| --- a/chlorop	2006-03-20 06:24:22.000000000 -0600 | ||||
| +++ b/chlorop	2017-07-24 10:51:27.000366706 -0500 | ||||
| @@ -9,8 +9,6 @@ | ||||
|  STARTDIR=`pwd` | ||||
|   | ||||
|  ### GENERAL SETTINGS, CUSTOMIZE +++++++++++++++++++++++++++++++++++++++++++++++ | ||||
| -# Substitute your chosen location for ChloroP software: | ||||
| -CHLOROP=/usr/cbs/packages/chlorop/currdist/chlorop-1.1 | ||||
|   | ||||
|  # Substitute paste: | ||||
|  PASTE=paste | ||||
| @@ -43,7 +41,7 @@ | ||||
|  # other settings: | ||||
|  #CHLOROTMPNAME=res`date '+%y%m%d%H%M%S'`.$$ | ||||
|  CHLOROTMPNAME=res.$$ | ||||
| -CHLOROTMP=tmp/$CHLOROTMPNAME | ||||
| +CHLOROTMP=$CHLOROTMP/$CHLOROTMPNAME | ||||
|  SCRIPTS=bin | ||||
|  SYN=syn | ||||
|  ETC=etc | ||||
| @@ -80,12 +78,12 @@ | ||||
|  ### get the infile ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ | ||||
|  INFILE=$* | ||||
|   | ||||
| -mkdir $CHLOROP/$CHLOROTMP || { echo Cannot create temporary directory; exit 1; } | ||||
| +mkdir -p $CHLOROTMP || { echo Cannot create temporary directory; exit 1; } | ||||
|   | ||||
|  ### prepare input file in HOW and fasta format ++++++++++++++++++++++++++++++++ | ||||
|  $AWK -f $CHLOROP/$SCRIPTS/in2how+fasta.awk -v informat=$INFORMAT \ | ||||
| -	-v howout=$CHLOROP/$CHLOROTMP/infile.how \ | ||||
| -	-v fastaout=$CHLOROP/$CHLOROTMP/infile.fasta $INFILE | ||||
| +	-v howout=$CHLOROTMP/infile.how \ | ||||
| +	-v fastaout=$CHLOROTMP/infile.fasta $INFILE | ||||
|  INFILE=$CHLOROTMP/infile.how | ||||
|   | ||||
|  ### change to working directory +++++++++++++++++++++++++++++++++++++++++++++++ | ||||
							
								
								
									
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								var/spack/repos/builtin/packages/chlorop/package.py
									
									
									
									
									
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								var/spack/repos/builtin/packages/chlorop/package.py
									
									
									
									
									
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							| @@ -0,0 +1,53 @@ | ||||
| ############################################################################## | ||||
| # Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC. | ||||
| # Produced at the Lawrence Livermore National Laboratory. | ||||
| # | ||||
| # This file is part of Spack. | ||||
| # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. | ||||
| # LLNL-CODE-647188 | ||||
| # | ||||
| # For details, see https://github.com/llnl/spack | ||||
| # Please also see the NOTICE and LICENSE files for our notice and the LGPL. | ||||
| # | ||||
| # This program is free software; you can redistribute it and/or modify | ||||
| # it under the terms of the GNU Lesser General Public License (as | ||||
| # published by the Free Software Foundation) version 2.1, February 1999. | ||||
| # | ||||
| # This program 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 terms and | ||||
| # conditions of the GNU Lesser General Public License for more details. | ||||
| # | ||||
| # You should have received a copy of the GNU Lesser General Public | ||||
| # License along with this program; if not, write to the Free Software | ||||
| # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA | ||||
| ############################################################################## | ||||
| from spack import * | ||||
| import distutils.dir_util | ||||
| import os | ||||
|  | ||||
|  | ||||
| class Chlorop(Package): | ||||
|     """Chlorop predicts the presence of chloroplast transit peptides | ||||
|     in protein sequences and the location of potential cTP cleavage | ||||
|     sites. You will need to obtain the tarball by visiting the | ||||
|     URL and completing the form. You can then either run spack | ||||
|     install with the tarball in the directory, or add it to a | ||||
|     mirror. You will need to set the CHLOROTMP environment variable | ||||
|     to the full path of the directory you want chlorop to use as | ||||
|     a temporary directory.""" | ||||
|  | ||||
|     homepage = "http://www.cbs.dtu.dk/services/ChloroP/" | ||||
|     url      = "file://{0}/chlorop-1.1.Linux.tar.gz".format(os.getcwd()) | ||||
|  | ||||
|     version('1.1', 'eb0ba6b28dfa735163ad5fc70e30139e46e33f6ae27f87666a7167a4ac5f71d9') | ||||
|  | ||||
|     depends_on('awk', type='run') | ||||
|     patch('chlorop.patch') | ||||
|  | ||||
|     def install(self, spec, prefix): | ||||
|         os.rename('chlorop', 'bin/chlorop') | ||||
|         distutils.dir_util.copy_tree(".", prefix) | ||||
|  | ||||
|     def setup_environment(self, spack_env, run_env): | ||||
|         run_env.set('CHLOROP', self.prefix) | ||||
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