diff --git a/deployment/linux/README.txt b/deployment/linux/README.txt index 841009281b2e8f4b0cecec638baadc6305984263..2f1ab3010a1c0854b08e58e45337296f3fe4938a 100644 --- a/deployment/linux/README.txt +++ b/deployment/linux/README.txt @@ -4,13 +4,3 @@ HOW TO USE THE BUNDLE SCRIPTS: 2. Move to the <OpenStructure folder>/deployment/linux folder and start the create_bundle.py script using python 3. In <OpenStructure> you'll find a tar.gz file. That's the bundle! 4. If the process stops without completing, run the reset_repository.py script or delete the <OpenStructure Folder> and restart from scratch - - -HOW TO USE THE QMEAN BUNDLE SCRIPTS: - -1. Checkout a copy of the OpenStructure repository. -2. Check out a copy of the scratch repository in modules/scratch -3. Create a folder called ChemLib in the <OpenStructure Folder> and copy the compunds.chemlib file into it. -4. Move to the <OpenStructure folder>/deployment/linux folder and start the create_qmeqn_bundle.py script using python -3. In <OpenStructure> you'll find a tar.gz file. That's the bundle! -4. If the process stops without completing, run the reset_qmean_repository.py script or delete the <OpenStructure Folder> and restart from scratch \ No newline at end of file diff --git a/deployment/linux/create_bundle.py b/deployment/linux/create_bundle.py index dbb88bb70feaa46329922ba30e3efefaea0b89fb..3f04533f0c4d6c3f84e907a0f73099bdf5988929 100644 --- a/deployment/linux/create_bundle.py +++ b/deployment/linux/create_bundle.py @@ -12,7 +12,7 @@ if len(sys.argv) < 3: print 'usage: create_bundle.py additional_label system_python_version' sys.exit() -system_python_version=sys.argv[2] +system_python_version='python'+sys.argv[2] system_python_bin='/usr/bin/'+system_python_version system_python_libs='/usr/lib/'+system_python_version second_system_python_libs_flag=True @@ -43,28 +43,21 @@ date_pattern='%Y-%b-%d' build=datetime.date.today() directory_name='openstructure-linux-'+archstring+'-'+additional_label+'-'+str(build) print 'Hardcoding package python binary path in openstructure executables' -subprocess.call('mv scripts/ost.in scripts/ost.in.backup',shell=True,cwd='../../') -subprocess.call('sed "s/@PYTHON_BINARY@/\$DNG_ROOT\/bin\/'+python_bin_in_bundle+'/g" scripts/ost.in.backup > scripts/ost.in.prepreprepre',shell=True,cwd='../../') -subprocess.call('sed "s/\#export LD_LIBRARY_PATH/ export LD_LIBRARY_PATH/g" scripts/ost.in.prepreprepre > scripts/ost.in.preprepre',shell=True,cwd='../../') -subprocess.call('sed "s/\#export PYTHONHOME/ export PYTHONHOME/g" scripts/ost.in.preprepre > scripts/ost.in.prepre',shell=True,cwd='../../') -subprocess.call('sed "s/\#export PYTHONPATH/ export PYTHONPATH/g" scripts/ost.in.prepre > scripts/ost.in.pre',shell=True,cwd='../../') -subprocess.call('sed "s/\#export QT_PLUGIN_PATH/ export QT_PLUGIN_PATH/g" scripts/ost.in.pre > scripts/ost.in',shell=True,cwd='../../') -subprocess.call('mv scripts/dng.in scripts/dng.in.backup',shell=True,cwd='../../') -subprocess.call('sed "s/\#export LD_LIBRARY_PATH/ export LD_LIBRARY_PATH/g" scripts/dng.in.backup > scripts/dng.in.preprepre',shell=True,cwd='../../') -subprocess.call('sed "s/\#export PYTHONHOME/ export PYTHONHOME/g" scripts/dng.in.preprepre > scripts/dng.in.prepre',shell=True,cwd='../../') -subprocess.call('sed "s/\#export PYTHONPATH/ export PYTHONPATH/g" scripts/dng.in.prepre > scripts/dng.in.pre',shell=True,cwd='../../') -subprocess.call('sed "s/\#export QT_PLUGIN_PATH/ export QT_PLUGIN_PATH/g" scripts/dng.in.pre > scripts/dng.in',shell=True,cwd='../../') +subprocess.call('mv scripts/ost_config.in scripts/ost_config.in.backup',shell=True,cwd='../../') +subprocess.call('sed "s/@PYTHON_BINARY@/\$DNG_ROOT\/bin\/'+python_bin_in_bundle+'/g" scripts/ost_config.in.backup > scripts/ost_config.in.preprepre',shell=True,cwd='../../') +subprocess.call('sed "s/\#export PYTHONHOME/ export PYTHONHOME/g" scripts/ost_config.in.preprepre > scripts/ost_config.in.prepre',shell=True,cwd='../../') +subprocess.call('sed "s/\#export PYTHONPATH/ export PYTHONPATH/g" scripts/ost_config.in.prepre > scripts/ost_config.in.pre',shell=True,cwd='../../') +subprocess.call('sed "s/\#export QT_PLUGIN_PATH/ export QT_PLUGIN_PATH/g" scripts/ost_config.in.pre > scripts/ost_config.in',shell=True,cwd='../../') #print 'Downloading Chemlib dictionary' #subprocess.call('wget ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif', shell=True, cwd='../../') #print 'Compiling Openstructure' #subprocess.call('cmake ./ -DCMAKE_BUILD_TYPE=Release -DPREFIX='+directory_name+' -DBoost_COMPILER='+boost_string+'-DENABLE_IMG=OFF -DENABLE_UI=OFF -DENABLE_GFX=OFF', shell=True,cwd='../../') #subprocess.call('cmake ./ -DCMAKE_BUILD_TYPE=Release -DPREFIX='+directory_name+' s-DENABLE_IMG=OFF -DENABLE_UI=OFF -DENABLE_GFX=OFF', shell=True,cwd='../../') #subprocess.call('make -j5',shell=True,cwd='../../') -#print 'Converting Chemlib dictionary' -#subprocess.call('stage/bin/chemdict_tool create components.cif compounds.chemlib', shell=True, cwd='../../') -#print '\nStaging Chemlib dictionary' +##print 'Converting Chemlib dictionary' +##subprocess.call('stage/bin/chemdict_tool create components.cif compounds.chemlib', shell=True, cwd='../../') +print '\nStaging Chemlib dictionary' print 'Compiling Openstructure' -#subprocess.call('cmake ./ -DCMAKE_BUILD_TYPE=Release -DPREFIX='+directory_name+' -DBoost_COMPILER='+boost_string+' -DCOMPOUND_LIB=ChemLib/compounds.chemlib -DENABLE_IMG=ON -DENABLE_UI=ON -DENABLE_GFX=ON -DOPTIMIZE=ON',shell=True,cwd='../../') subprocess.call('cmake ./ -DCMAKE_BUILD_TYPE=Release -DPREFIX='+directory_name+' -DCOMPOUND_LIB=ChemLib/compounds.chemlib -DENABLE_IMG=ON -DENABLE_UI=ON -DENABLE_GFX=ON -DOPTIMIZE=ON',shell=True,cwd='../../') subprocess.call('make -j2',shell=True,cwd='../../') print 'Removing obsolete packages and package directory' @@ -73,13 +66,14 @@ print 'Creating new package directory' subprocess.call('mkdir '+directory_name,shell=True,cwd='../../') subprocess.call('mkdir '+directory_name+'/bin',shell=True,cwd='../../') print 'Copy python executable into stage for dependency detection' +print system_python_bin subprocess.call('cp '+system_python_bin+ ' stage/bin/python',shell=True,cwd='../../') print 'Copy python libraries into the stage for dependency detection' -subprocess.call('cp -pRL '+system_python_libs+' stage/'+libdir,shell=True,cwd='../../') -subprocess.call('rm -fr stage/'+libdir+'/'+system_python_version+'/dist-packages',shell=True,cwd='../../') +subprocess.call('cp -pRL '+system_python_libs+' stage/'+libdir+'/python',shell=True,cwd='../../') +subprocess.call('rm -fr stage/'+libdir+'/python/dist-packages',shell=True,cwd='../../') if second_system_python_libs_flag==True: - subprocess.call('cp -pRL '+second_system_python_libs+'/sip* stage/'+libdir+'/'+system_python_version,shell=True,cwd='../../') - subprocess.call('cp -pRL '+second_system_python_libs+'/PyQt* stage/'+libdir+'/'+system_python_version,shell=True,cwd='../../') + subprocess.call('cp -pRL '+second_system_python_libs+'/sip* stage/'+libdir+'/python/',shell=True,cwd='../../') + subprocess.call('cp -pRL '+second_system_python_libs+'/PyQt* stage/'+libdir+'/python/',shell=True,cwd='../../') print 'Creating new dependency list' so_list=[] walk_list=os.walk('../../stage') @@ -104,22 +98,21 @@ for entry in sorted_dep_list: exclude=True if exclude==False: filtered_dep_list.append(entry) +print 'Installing OpenStructure into package directory structure' +subprocess.call('make install',shell=True,cwd='../../') print 'Copy libraries in the package directory structure' -subprocess.call('mkdir '+directory_name+'/'+libdir,shell=True,cwd='../../') for entry in filtered_dep_list: subprocess.call('cp '+entry+' '+directory_name+'/'+libdir,shell=True,cwd='../../') print 'Copy python executable into package directory structure' subprocess.call('cp '+system_python_bin+ ' '+directory_name+'/bin/python',shell=True,cwd='../../') print 'Copy python libraries into package directory structure' -subprocess.call('cp -pRL '+system_python_libs+' '+directory_name+'/'+libdir,shell=True,cwd='../../') -subprocess.call('rm -fr '+directory_name+'/'+libdir+'/'+system_python_version+'/dist-packages',shell=True,cwd='../../') +subprocess.call('cp -pRL '+system_python_libs+' '+directory_name+'/'+libdir+'/python',shell=True,cwd='../../') +subprocess.call('rm -fr '+directory_name+'/'+libdir+'/python/dist-packages',shell=True,cwd='../../') if second_system_python_libs_flag==True: - subprocess.call('cp -pRL '+second_system_python_libs+'/sip* '+directory_name+'/'+libdir+'/'+system_python_version,shell=True,cwd='../../') - subprocess.call('cp -pRL '+second_system_python_libs+'/PyQt* '+directory_name+'/'+libdir+'/'+system_python_version,shell=True,cwd='../../') + subprocess.call('cp -pRL '+second_system_python_libs+'/sip* '+directory_name+'/'+libdir+'/python/',shell=True,cwd='../../') + subprocess.call('cp -pRL '+second_system_python_libs+'/PyQt* '+directory_name+'/'+libdir+'/python/',shell=True,cwd='../../') print 'Copy Qt 4 plugins into package directory structure' subprocess.call('cp -pRL '+qt4_plugins+' '+directory_name+'/bin/',shell=True,cwd='../../') -print 'Installing OpenStructure into package directory structure' -subprocess.call('make install',shell=True,cwd='../../') print 'Copying supplementary material into package directory structure' subprocess.call('cp -pRL stage/share/openstructure '+directory_name+'/share/',shell=True,cwd='../../') print 'Copying examples into package directory structure' @@ -140,11 +133,8 @@ print 'removing dokk and harmony examples from bundle' subprocess.call('rm -rf '+directory_name+'/share/openstructure/examples/code_fragments/dokk',shell=True,cwd='../../') subprocess.call('rm -rf '+directory_name+'/share/openstructure/examples/code_fragments/harmony',shell=True,cwd='../../') print 'De-hardcoding package python binary path from openstructure executables' -subprocess.call('rm scripts/ost.in',shell=True,cwd='../../') -subprocess.call('rm scripts/ost.in.pre*',shell=True,cwd='../../') -subprocess.call('rm scripts/dng.in',shell=True,cwd='../../') -subprocess.call('rm scripts/dng.in.pre*',shell=True,cwd='../../') -subprocess.call('mv scripts/ost.in.backup scripts/ost.in',shell=True,cwd='../../') -subprocess.call('mv scripts/dng.in.backup scripts/dng.in',shell=True,cwd='../../') +subprocess.call('rm scripts/ost_config.in',shell=True,cwd='../../') +subprocess.call('rm scripts/ost_config.in.pre*',shell=True,cwd='../../') +subprocess.call('mv scripts/ost_config.in.backup scripts/ost_config.in',shell=True,cwd='../../') subprocess.call('tar cfz '+directory_name+'.tgz '+directory_name,shell=True,cwd='../../') diff --git a/deployment/linux/debian/README b/deployment/linux/debian/README new file mode 100644 index 0000000000000000000000000000000000000000..c3a5a886f2754202845d533c5399e6eeb416ae86 --- /dev/null +++ b/deployment/linux/debian/README @@ -0,0 +1,8 @@ +1. Checkout OpenStructure into a directory called strictly:'openstructure-<version>' (currently is 1.1d - 1.1 develop) +2. Remove all the .git* files and directories from the source +3. Create a compressed file with the source directory called strictly 'openstructure_<version>.orig.tar.gz' + (At the same level as the source directory) +4. Copy the 'debian' directory into the top level of the source directory +5. Go into the top level of the source directory +6. Build package with 'debuilder -uc -us' +7. You can find the built package at the same level as the source directory and the source zipped file diff --git a/deployment/linux/debian/debian/README.source b/deployment/linux/debian/debian/README.source new file mode 100644 index 0000000000000000000000000000000000000000..c6c09893537f7e95bd2a01b7fe343ed65798ecf3 --- /dev/null +++ b/deployment/linux/debian/debian/README.source @@ -0,0 +1,18 @@ +===============OPENSTRUCTURE molecular modelling framework =============== + + +OpenStructure is the next generation molecular modelling tailored at anybody + using 3D Structures or electron density maps. + +Please refer to www.openstructure.org for more information or try out + directly one of the binary packages available for download. + +Thank you for you interest and enjoy the straightforward way of handling +protein structure data! + +Please do not hesitate to contact us for feedback or troubleshooting: + +ost-users@maillist.unibas.ch + + +=============== The OpenStructure Team =================================== diff --git a/deployment/linux/debian/debian/changelog b/deployment/linux/debian/debian/changelog new file mode 100644 index 0000000000000000000000000000000000000000..9ecfb662316dd8c2d6a8e6ddcc17e4cf3573e526 --- /dev/null +++ b/deployment/linux/debian/debian/changelog @@ -0,0 +1,5 @@ +openstructure (1.1d-0ubuntu1) natty; urgency=low + + * Initial release + + -- Valerio Mariani <valerio.mariani@unibas.ch> Wed, 13 Jul 2011 15:41:35 +0200 diff --git a/deployment/linux/debian/debian/chemdict_tool.1 b/deployment/linux/debian/debian/chemdict_tool.1 new file mode 100644 index 0000000000000000000000000000000000000000..7cbb4e805d2f7e52bf0ae16701d208cc5946fff1 --- /dev/null +++ b/deployment/linux/debian/debian/chemdict_tool.1 @@ -0,0 +1,33 @@ +.\" DO NOT MODIFY THIS FILE! It was generated by help2man 1.38.4. +.TH CHEMDICT_TOOL: "1" "July 2011" "User Commands" +.SH NAME +chemdict_tool \- compound libary creation tool for OpenStructure +.SH SYNOPSIS +chemdict_tool action <compound\-dict> <db> (pdb|charmm|amber|opls) +.SH OPTIONS +Supported actions are: +.TP +create +\- creates a new db +.TP +update +\- update existing db +.SS "supported actions are:" +.TP +create +\- creates a new db +.TP +update +\- update existing db +.SH "SEE ALSO" +The full documentation for +.B usage: +is maintained as a Texinfo manual. If the +.B info +and +.B usage: +programs are properly installed at your site, the command +.IP +.B info usage: +.PP +should give you access to the complete manual. diff --git a/deployment/linux/debian/debian/compat b/deployment/linux/debian/debian/compat new file mode 100644 index 0000000000000000000000000000000000000000..7f8f011eb73d6043d2e6db9d2c101195ae2801f2 --- /dev/null +++ b/deployment/linux/debian/debian/compat @@ -0,0 +1 @@ +7 diff --git a/deployment/linux/debian/debian/control b/deployment/linux/debian/debian/control new file mode 100644 index 0000000000000000000000000000000000000000..43a9f02fdda663dcf358819cf3bb92381c501311 --- /dev/null +++ b/deployment/linux/debian/debian/control @@ -0,0 +1,23 @@ +Source: openstructure +Section: science +Priority: extra +Maintainer: Valerio Mariani <valerio.mariani@unibas.ch> +Build-Depends: debhelper (>= 7.0.50~),cmake,desktop-file-utils,libboost-all-dev,libeigen2-dev,qt4-dev-tools,libqt4-dev,libqt4-opengl-dev,python-qt4-dev,pyqt4-dev-tools,libfftw3-dev,libpng12-dev,libtiff4-dev,python-dev +Standards-Version: 3.9.1 +Homepage: http://www.openstructure.org + +Package: openstructure +Architecture: any +Depends: ${shlibs:Depends}, ${misc:Depends}, python-sip, python-qt4 +Description: Open-source computational structural biology framework + The Openstructure project aims to provide an open-source, modular, flexible, + molecular modelling and visualization environment. It is targeted at + interested method developers in the field of structural bioinformatics. + +Package: openstructure-dev +Architecture: any +Depends: ${shlibs:Depends}, ${misc:Depends}, openstructure +Description: Open-source computational structural biology framework + The Openstructure project aims to provide an open-source, modular, flexible, + molecular modelling and visualization environment. It is targeted at + interested method developers in the field of structural bioinformatics. diff --git a/deployment/linux/debian/debian/copyright b/deployment/linux/debian/debian/copyright new file mode 100644 index 0000000000000000000000000000000000000000..b93d7503fb504646b3023bcc25817335d2579868 --- /dev/null +++ b/deployment/linux/debian/debian/copyright @@ -0,0 +1,40 @@ +Format: http://dep.debian.net/deps/dep5 +Upstream-Name: openstructure +Source: http://www.openstructure.org + +Files: * +Copyright: 2008-2011 Torsten Schwede <torsten.schwede@unibas.ch> +License: LGPL-3.0 + +Files: debian/* +Copyright: 2011 Valerio Mariani <valerio.mariani@unibas.ch> +License: LGPL-3.0 + +License: LGPL-3.0 + This package 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; either + version 3 of the License, or (at your option) any later version. + . + This package 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 + Lesser General Public License for more details. + . + You should have received a copy of the GNU General Public License + along with this program. If not, see <http://www.gnu.org/licenses/>. + . + On Debian systems, the complete text of the GNU Lesser General + Public License can be found in "/usr/share/common-licenses/LGPL-3". + +Files: modules/db/src/sqlite3.h, modules/db/src/sqlite.c +Copyright: 2011 Valerio Mariani <valerio.mariani@unibas.ch> +License: None + 2001 September 15 + . + The author disclaims copyright to this source code. In place of + a legal notice, here is a blessing: + . + May you do good and not evil. + May you find forgiveness for yourself and forgive others. + May you share freely, never taking more than you give. diff --git a/deployment/linux/debian/debian/dng.1 b/deployment/linux/debian/debian/dng.1 new file mode 100644 index 0000000000000000000000000000000000000000..dbc68330d425affad81420e25645719ac07c8b24 --- /dev/null +++ b/deployment/linux/debian/debian/dng.1 @@ -0,0 +1,39 @@ +.\" DO NOT MODIFY THIS FILE! It was generated by help2man 1.38.4. +.TH DNG "1" "July 2011" "User Commands" +.SH NAME +dng \- GUI for OpenStructure +.SH SYNOPSIS +.B dng +[\fIoptions\fR] [\fIfiles to load\fR] +.SH OPTIONS +.TP +\fB\-h\fR, \fB\-\-help\fR +show this help message and exit +.TP +\fB\-v\fR VLEVEL, \fB\-\-verbosity_level\fR=\fIVLEVEL\fR +sets the verbosity level [default: 2] +.TP +\fB\-s\fR SCRIPT, \fB\-\-script\fR=\fISCRIPT\fR +executes a script (syntax: \fB\-s\fR SCRIPT [options] [args]) +Anything that follows this option is passed to the +script +.TP +\fB\-p\fR PDB_IDS, \fB\-\-pdb_id\fR=\fIPDB_IDS\fR +PDB file ID. The file will be retrieved from PDB +.TP +\fB\-b\fR BUILDER, \fB\-\-builder\fR=\fIBUILDER\fR +Type of builder used by the progam (either RULE_BASED +or HEURISTIC) [default: HEURISTIC] +.TP +\fB\-c\fR COMPLIB, \fB\-\-compound_library\fR=\fICOMPLIB\fR +Compound library for the RULE_BASED builder (only used +if \fB\-\-builder\fR option is set to RULE_BASED, otherwise +ignored [default: compounds.chemlib] +.TP +\fB\-q\fR QUERY, \fB\-\-query\fR=\fIQUERY\fR +Selection query to be highlighted automatically upon +loading (only used together with \fB\-p\fR option or when a +PDB file is loaded, otherwise ignored [default: None] +.TP +\fB\-S\fR, \fB\-\-stereo\fR +try to get a quad\-buffer stereo visual diff --git a/deployment/linux/debian/debian/openstructure.desktop b/deployment/linux/debian/debian/openstructure.desktop new file mode 100644 index 0000000000000000000000000000000000000000..b5ae761af421073b92e3ce58fa0c5100417a3ae8 --- /dev/null +++ b/deployment/linux/debian/debian/openstructure.desktop @@ -0,0 +1,8 @@ +[Desktop Entry] +Name=OpenStructure +GenericName=Open-Source Computational Structural Biology Framework +Exec=dng +Icon=openstructure +Terminal=false +Type=Application +Categories=Education;Science; diff --git a/deployment/linux/debian/debian/openstructure.manpages b/deployment/linux/debian/debian/openstructure.manpages new file mode 100644 index 0000000000000000000000000000000000000000..e73d09dbbec1bf1adaed4065f926ecbe8e872771 --- /dev/null +++ b/deployment/linux/debian/debian/openstructure.manpages @@ -0,0 +1,3 @@ +debian/ost.1 +debian/dng.1 +debian/chemdict_tool.1 diff --git a/deployment/linux/debian/debian/ost.1 b/deployment/linux/debian/debian/ost.1 new file mode 100644 index 0000000000000000000000000000000000000000..afd5f75dcb8eadc27a09ecacb147138c3451ac7a --- /dev/null +++ b/deployment/linux/debian/debian/ost.1 @@ -0,0 +1,18 @@ +.\" DO NOT MODIFY THIS FILE! It was generated by help2man 1.38.4. +.TH OST "1" "July 2011" "User Commands" +.SH NAME +ost: \- command-line console for OpenStructure +.SH SYNOPSIS +.B ost +[\fIost options\fR] [\fIscript to execute\fR] [\fIscript parameters\fR] +.SH OPTIONS +.TP +\fB\-i\fR, \fB\-\-interactive\fR +start interpreter interactively (must be first +parameter, ignored otherwise) +.TP +\fB\-h\fR, \fB\-\-help\fR +show this help message and exit +.TP +\fB\-v\fR VLEVEL, \fB\-\-verbosity_level\fR=\fIVLEVEL\fR +sets the verbosity level [default: 2] diff --git a/deployment/linux/debian/debian/postinst b/deployment/linux/debian/debian/postinst new file mode 100644 index 0000000000000000000000000000000000000000..a448189622f2efd26b94eb33f2759706a6d7bdbd --- /dev/null +++ b/deployment/linux/debian/debian/postinst @@ -0,0 +1,40 @@ +#!/bin/sh +# postinst script for openstructure +# +# see: dh_installdeb(1) + +set -e + +# summary of how this script can be called: +# * <postinst> `configure' <most-recently-configured-version> +# * <old-postinst> `abort-upgrade' <new version> +# * <conflictor's-postinst> `abort-remove' `in-favour' <package> +# <new-version> +# * <postinst> `abort-remove' +# * <deconfigured's-postinst> `abort-deconfigure' `in-favour' +# <failed-install-package> <version> `removing' +# <conflicting-package> <version> +# for details, see http://www.debian.org/doc/debian-policy/ or +# the debian-policy package + + +case "$1" in + configure) + ldconfig + ;; + + abort-upgrade|abort-remove|abort-deconfigure) + ;; + + *) + echo "postinst called with unknown argument \`$1'" >&2 + exit 1 + ;; +esac + +# dh_installdeb will replace this with shell code automatically +# generated by other debhelper scripts. + +#DEBHELPER# + +exit 0 diff --git a/deployment/linux/debian/debian/rules b/deployment/linux/debian/debian/rules new file mode 100755 index 0000000000000000000000000000000000000000..7b9d18ba98b725099155c5f3d87a78f20e2cba5c --- /dev/null +++ b/deployment/linux/debian/debian/rules @@ -0,0 +1,27 @@ +#!/usr/bin/make -f +# -*- makefile -*- +# Sample debian/rules that uses debhelper. +# This file was originally written by Joey Hess and Craig Small. +# As a special exception, when this file is copied by dh-make into a +# dh-make output file, you may use that output file without restriction. +# This special exception was added by Craig Small in version 0.37 of dh-make. + +# Uncomment this to turn on verbose mode. +export DH_VERBOSE=1 + +%: + dh $@ --buildsystem cmake +override_dh_auto_configure: + cmake ./ -DPREFIX=debian/openstructure/usr -DOPTIMIZE=ON -DCOMPOUND_LIB=compounds.chemlib +override_dh_auto_build: + make -j6 +override_dh_auto_install: + make install + rm debian/openstructure/usr/bin/ldt + mkdir -p debian/openstructure-dev/usr + mv debian/openstructure/usr/include debian/openstructure-dev/usr/ + mkdir -p debian/openstructure/usr/share/pixmaps/ + cp modules/gui/share/images/logo-small.png debian/openstructure/usr/share/pixmaps/openstructure.png + mkdir -p debian/openstructure/usr/share/applications/ + cp debian/openstructure.desktop debian/openstructure/usr/share/applications/ + desktop-file-validate debian/openstructure/usr/share/applications/openstructure.desktop diff --git a/deployment/linux/debian/debian/source/format b/deployment/linux/debian/debian/source/format new file mode 100644 index 0000000000000000000000000000000000000000..c3d9f2407417795889250717d7b519eadd8373e6 --- /dev/null +++ b/deployment/linux/debian/debian/source/format @@ -0,0 +1,2 @@ +3.0 (quilt) + diff --git a/deployment/linux/debian/debian/source/include-binaries b/deployment/linux/debian/debian/source/include-binaries new file mode 100644 index 0000000000000000000000000000000000000000..e2a64033aea5f1dda66b509afe7ee03c8d40095e --- /dev/null +++ b/deployment/linux/debian/debian/source/include-binaries @@ -0,0 +1 @@ +compounds.chemlib diff --git a/deployment/linux/fedora/openstructure.desktop b/deployment/linux/fedora/openstructure.desktop new file mode 100644 index 0000000000000000000000000000000000000000..5da5cfab6fa466c91de1e5be5cf5073448ad72dd --- /dev/null +++ b/deployment/linux/fedora/openstructure.desktop @@ -0,0 +1,8 @@ +[Desktop Entry] +Name=OpenStructure +GenericName=Open-Source Computational Structural Biology Framework +Exec=dng +Icon=openstructure +Terminal=false +Type=Application +Categories=Science; diff --git a/deployment/linux/fedora/openstructure.spec b/deployment/linux/fedora/openstructure.spec new file mode 100644 index 0000000000000000000000000000000000000000..3d27b5deac2b8e299e1ab1406900a722347866be --- /dev/null +++ b/deployment/linux/fedora/openstructure.spec @@ -0,0 +1,82 @@ +Name: openstructure +Version: 1.1 +Release: 0.1d%{?dist} +Summary: Open-source computational structural biology framework + + +# The entire source code is LGPLv3 except the following files: +# modules/db/src/sqlite3.h, modules/db/src/sqlite.c +# which have no license +License: LGPLv3 and unlicensed +URL: www.openstructure.org +# The source for this package was pulled from upstream's git. Use the +# following commands to generate the tarball: +# git clone https://dng.biozentrum.unibas.ch/git/ost.git openstructure-1.1d +# cp /import/bc2/home/schwede/GROUP/OpenStructure/compounds.chemlib \ +# openstructure-1.1d/ +# tar -cJvf openstructure-1.1d.tar.xz openstructure-1.1d +Source0: %{name}-%{version}d.tar.xz +Source1: %{name}.desktop + +BuildRequires: boost-devel,fftw-devel,eigen2-devel,libtiff-devel,libpng-devel,sip-devel,PyQt4-devel,cmake,desktop-file-utils +Requires: sip,PyQt4 + +%description +The Openstructure project aims to provide an open-source, modular, flexible, +molecular modelling and visualization environment. It is targeted at +interested method developers in the field of structural bioinformatics. + +%prep +%setup -n openstructure-1.1d + +%build +%cmake . -DPREFIX=%{buildroot}/usr -DOPTIMIZE=ON -DCOMPOUND_LIB=compounds.chemlib +make %{?_smp_mflags} + +%install +rm -rf %{buildroot} +make install +mkdir -p %{buildroot}/%{_defaultdocdir}/%{name}-%{version} +mkdir -p %{buildroot}/%{_datadir}/pixmaps +cp LICENSE.txt %{buildroot}/%{_defaultdocdir}/%{name}-%{version}/ +cp ReadMe.txt %{buildroot}/%{_defaultdocdir}/%{name}-%{version}/ +cp modules/gui/share/images/logo-small.png %{buildroot}/%{_datadir}/pixmaps/openstructure.png +rm %{buildroot}/%{_bindir}/ldt +desktop-file-install --dir=%{buildroot}/%{_datadir}/applications %{SOURCE1} + +%post -p /sbin/ldconfig + +%postun -p /sbin/ldconfig + +%files +%defattr(-,root,root,-) +%{_bindir}/* +%{_libdir}/libost* +%{_libdir}/openstructure +%{_datadir}/openstructure +%{_datadir}/applications/* +%{_datadir}/pixmaps/* + +%doc +%{_defaultdocdir}/%{name}-%{version}/LICENSE.txt +%{_defaultdocdir}/%{name}-%{version}/ReadMe.txt + +%changelog +* Wed Jul 20 2011 Valerio Mariani <valerio.mariani@unibas.ch> 1.1-1d +- Initial release + + + + +%package devel +Summary: Open-source computational structural biology framework +Requires: openstructure + +%description devel +The Openstructure project aims to provide an open-source, modular, flexible, +molecular modelling and visualization environment. It is targeted at +interested method developers in the field of structural bioinformatics. + +%files devel +%{_includedir}/* + diff --git a/deployment/linux/reset_repository.py b/deployment/linux/reset_repository.py index bf030685da06e5b319b0af7964b7c3bec0948f82..6ac0809e34a767ff7ff16febd6d392b95e31861f 100644 --- a/deployment/linux/reset_repository.py +++ b/deployment/linux/reset_repository.py @@ -8,7 +8,6 @@ if currdir.find('deployment')==-1 or currdir.find('linux')==-1: print '\n' sys.exit() -subprocess.call('rm -fr scripts/dng.in.pre* scripts/ost_cl.in.pre*',shell=True,cwd='../../') -subprocess.call('mv scripts/ost.in.backup scripts/ost.in',shell=True,cwd='../../') -subprocess.call('mv scripts/dng.in.backup scripts/dng.in',shell=True,cwd='../../') +subprocess.call('rm -fr scripts/ost_config.in.pre*',shell=True,cwd='../../') +subprocess.call('mv scripts/ost_config.in.backup scripts/ost_config.in',shell=True,cwd='../../')