Codebase list chemical-structures / f37b415
Import Debian changes 2.2.dfsg.0-13 chemical-structures (2.2.dfsg.0-13) unstable; urgency=medium * Included Adriano Rafael Gomes' translation. Closes: #762474 chemical-structures (2.2.dfsg.0-12) unstable; urgency=medium * Included Frans Spiesschaert's translation. Closes: #766405 * updated Standards-Version to 3.9.6 * fixed apache.conf to work with apache 2.4 * hardcoded a copy of sourceforge's logo to save user's privacy * modified postinst and postrm scripts chemical-structures (2.2.dfsg.0-11) unstable; urgency=low * updated the file d/po/ja.po. Closes: #717706 chemical-structures (2.2.dfsg.0-10) unstable; urgency=low * modified some dependencies, relaxed them down to recommendations Closes:#669749 * improved slightly the postinst script chemical-structures (2.2.dfsg.0-9) unstable; urgency=low * Changed my DEBEMAIL * included Nobuhiro Iwamatsu's last version of d/po/ja.po file (Closes: #695079) * Updated compat-level and Standards-Version * Modified the management of the configuration file for Apache2 (Closes: #669749) * modified CMakeLists.txt files to build .xyz files for molecules chemical-structures (2.2.dfsg.0-8) unstable; urgency=low * modified the postrm scripts to allow the purge even if appache2 was previously purged. Closes: #660586 chemical-structures (2.2.dfsg.0-7) unstable; urgency=low * updated the Spanish po file, thanks to Javier Fernandez-Sanguino Pen~a Closes: #656401 chemical-structures (2.2.dfsg.0-6) unstable; urgency=low * merged Joe's file da.po. Closes: #650949 chemical-structures (2.2.dfsg.0-5) unstable; urgency=low * updated cs.po, thanks to Michal Simunek. Closes: #628212 chemical-structures (2.2.dfsg.0-4) unstable; urgency=low * updated sv.po, thanks to Martin Bagge. Closes: #628930 chemical-structures (2.2.dfsg.0-3) unstable; urgency=low * updated ru.po, thanks to Yuri Kozlov. Closes: #625933 * updated Standards-Version to 3.9.2 * fixed a spelling error in debian/Redme.debian and an article in description synopsis chemical-structures (2.2.dfsg.0-2) unstable; urgency=low * updated the files pt.po, thanks to Américo Monteiro, fr.po, thanks to Christian Perrier, de.po, thanks to Martin Eberhard Schauer, Closes: #620085, #620169, #621731 chemical-structures (2.2.dfsg.0-1) unstable; urgency=low * fixed the purge script. Closes: #619570 * upgraded to the newer upstream version. chemical-structures (2.1.dfsg.1-10) unstable; urgency=low * integrated Ricardo Fraile's file. Closes: #603671 * integrated Nobuhiro Iwamatsu's file. Closes: #603886 chemical-structures (2.1.dfsg.1-9) unstable; urgency=low * added the Itialian translation for debconf, thanks to Vincenzo Campanella * updated the Portuguese translation for debconf, thanks to Américo Monteiro Closes: #602761 * repeated Closes stances as multiple targets did not seem to work previoulsy: Closes: #601452 Closes: #601722 Closes: #602615 * integrated Martin Bagge's sv.po file. Closes: Bug#602796 * integrated Nobuhiro Iwamatsu's ja.po file. Closes: #602983 * integrated Michal Simunek cs.po file. Closes: #603040 * integrated Joe Dalton's da.po file. Closes: #603049 * integrated Martin Eberhard's de.po file. Closes: #603370 chemical-structures (2.1.dfsg.1-8) unstable; urgency=low * inserted Christian Perrier's fr.po file * replaced "seveurs" by "serveur", following Stéphane Blondon's advice * added the Vietnamese translation. Closes: #602681 chemical-structures (2.1.dfsg.1-7) unstable; urgency=low * added po-debconf translations by Michal Simunek, Américo Monteiro and Yuri Kozlov, respectively for Czech, Portuguese and Russian. Closes: #600197 #601452 #601722 #602615 chemical-structures (2.1.dfsg.1-6) unstable; urgency=low * modified the templates file for debconf. reworked the French translation for deboconf templates. Closes: #602364 chemical-structures (2.1.dfsg.1-5) unstable; urgency=low * added Martin Eberhard Schauer's de.po file, and slightly modified one template accordingly to his suggestion. Closes: #601776 chemical-structures (2.1.dfsg.1-4) unstable; urgency=low * simplified the debconf dialog about apache, thanks to Christian Perrin's hint. Closes: #600500 * added debian/po.sv.po and made a tiny modification in the description's translation of the debconf dialog about apache. Closes: #600504 chemical-structures (2.1.dfsg.1-3) unstable; urgency=low * upgraded the standards to 3.9.1 and compat to 7 * added a dependency on mics:Depends * changes the rules to build the package as arch-independent * added "set -e" in the config script. * changed "dh_clean -k" to "dh_prep" in debian/rules * first publication in Debian. Closes: #593126 chemical-structures (2.1.dfsg.1-2) unstable; urgency=low * recompiled with newer standards chemical-structures (2.1.dfsg.1-1) unstable; urgency=low * Upgraded to the new upstream version, removed the .jar files to comply with the DFSG. * remove references to binary files from src/CMakeLists.txt * removed the references to OpenBabel2Exe chemical-structures (2.0.dfsg.1-2) unstable; urgency=low * new modifications, hinted by Daniel Leidert: * added a postinst script to remove the symlinks in /etc/apache*/conf.d chemical-structures (2.0.dfsg.1-1) unstable; urgency=low * many modifications, hinted by Daniel Leidert <daniel.leidert.spam@gmx.net> * removed any binary file from the source (src/jmol/*.jar) * downgraded the recommendations of jmol, jmol-applet to suggestion * made better build-dependencies * added a recommendation on chemical-mime-data * added a dependency on python, apache* and openbabel * updated the copyright about Jmol.js * modified convert.cgi to manage gzipped source files upon conversion. chemical-structures (2.0-2) unstable; urgency=low * added a chemical format converter option to the pages containing the molecules * added a CGI script to convert the molecules * added configuration scripts to configure the webserver * modified chemstruc to open an URL with a protocol http chemical-structures (2.0-1) unstable; urgency=low * Upgrade to new upstream release chemical-structures (1.0-2) unstable; urgency=low * modified the dependancy: added firefox chemical-structures (1.0-1) unstable; urgency=low * Upgrade to new upstream release chemical-structures (0.9-1) unstable; urgency=low * Upgrade to new upstream release * modified the command chemstruc to take in account $LANG chemical-structures (0.8-1) unstable; urgency=low * Initial release Georges Khaznadar 5 years ago
41 changed file(s) with 2119 addition(s) and 0 deletion(s). Raw diff Collapse all Expand all
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debian/README.Debian less more
0 chemical-structures for Debian
1 ------------------------------
2
3 chemical-structure recommends Jmol (jmol-applet), which has been already
4 packaged for Debian, see http://debian.wgdd.de/repository
5 http://debian.wgdd.de/debian/
6
7 the following line in sources.list allows one to access the package:
8 # for Jmol
9 deb http://debian.wgdd.de/debian unstable main contrib non-free
10
11 if you install the package JMol, you should make a soft link from
12 /usr/share/chemical-structures/jmol to the directory where the file
13 Jmol.js is located.
14
15 -- Georges Khaznadar <georgesk@ofset.org>, Sat, 7 May 2011 14:17:20 +0200
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debian/README.source less more
0 The source files come from http://sourceforge.net/projects/chem-file/files/Chemical%20Structures/2.2.0/chemical-structure-source-2.2.0.tgz/download
1
2 The directory containing the source tree has been renamed to
3 chemical-structures-2.2.dfsg.0 then every jar library has been removed from
4 the subdirectory src/jmol
5
6 This package should recommend the package Jmol as soon as it will be able to
7 enter Debian.
8
9 -- Georges Khaznadar <georgesk@ofset.org>, Sat, 26 Mar 2011 10:53:15 +0100
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debian/changelog less more
0 chemical-structures (2.2.dfsg.0-13) unstable; urgency=medium
1
2 * Included Adriano Rafael Gomes' translation. Closes: #762474
3
4 -- Georges Khaznadar <georgesk@debian.org> Sun, 02 Nov 2014 17:17:44 +0100
5
6 chemical-structures (2.2.dfsg.0-12) unstable; urgency=medium
7
8 * Included Frans Spiesschaert's translation. Closes: #766405
9 * updated Standards-Version to 3.9.6
10 * fixed apache.conf to work with apache 2.4
11 * hardcoded a copy of sourceforge's logo to save user's privacy
12 * modified postinst and postrm scripts
13
14 -- Georges Khaznadar <georgesk@debian.org> Thu, 23 Oct 2014 12:33:08 +0200
15
16 chemical-structures (2.2.dfsg.0-11) unstable; urgency=low
17
18 * updated the file d/po/ja.po. Closes: #717706
19
20 -- Georges Khaznadar <georgesk@debian.org> Fri, 26 Jul 2013 21:53:55 +0200
21
22 chemical-structures (2.2.dfsg.0-10) unstable; urgency=low
23
24 * modified some dependencies, relaxed them down to recommendations
25 Closes:#669749
26 * improved slightly the postinst script
27
28 -- Georges Khaznadar <georgesk@debian.org> Sun, 30 Jun 2013 22:37:41 +0200
29
30 chemical-structures (2.2.dfsg.0-9) unstable; urgency=low
31
32 * Changed my DEBEMAIL
33 * included Nobuhiro Iwamatsu's last version of d/po/ja.po file
34 (Closes: #695079)
35 * Updated compat-level and Standards-Version
36 * Modified the management of the configuration file for Apache2
37 (Closes: #669749)
38 * modified CMakeLists.txt files to build .xyz files for molecules
39
40 -- Georges Khaznadar <georgesk@debian.org> Fri, 17 May 2013 21:50:50 +0200
41
42 chemical-structures (2.2.dfsg.0-8) unstable; urgency=low
43
44 * modified the postrm scripts to allow the purge even if appache2 was
45 previously purged. Closes: #660586
46
47 -- Georges Khaznadar <georgesk@ofset.org> Wed, 22 Feb 2012 14:33:54 +0000
48
49 chemical-structures (2.2.dfsg.0-7) unstable; urgency=low
50
51 * updated the Spanish po file, thanks to Javier Fernandez-Sanguino Pen~a
52 Closes: #656401
53
54 -- Georges Khaznadar <georgesk@ofset.org> Sat, 21 Jan 2012 15:19:54 +0100
55
56 chemical-structures (2.2.dfsg.0-6) unstable; urgency=low
57
58 * merged Joe's file da.po. Closes: #650949
59
60 -- Georges Khaznadar <georgesk@ofset.org> Sun, 04 Dec 2011 15:28:34 +0100
61
62 chemical-structures (2.2.dfsg.0-5) unstable; urgency=low
63
64 * updated cs.po, thanks to Michal Simunek. Closes: #628212
65
66 -- Georges Khaznadar <georgesk@ofset.org> Sun, 19 Jun 2011 15:55:07 +0200
67
68 chemical-structures (2.2.dfsg.0-4) unstable; urgency=low
69
70 * updated sv.po, thanks to Martin Bagge. Closes: #628930
71
72 -- Georges Khaznadar <georgesk@ofset.org> Fri, 03 Jun 2011 00:02:15 +0200
73
74 chemical-structures (2.2.dfsg.0-3) unstable; urgency=low
75
76 * updated ru.po, thanks to Yuri Kozlov. Closes: #625933
77 * updated Standards-Version to 3.9.2
78 * fixed a spelling error in debian/Redme.debian and an article in
79 description synopsis
80
81 -- Georges Khaznadar <georgesk@ofset.org> Sat, 07 May 2011 13:47:34 +0200
82
83 chemical-structures (2.2.dfsg.0-2) unstable; urgency=low
84
85 * updated the files pt.po, thanks to Américo Monteiro, fr.po,
86 thanks to Christian Perrier, de.po, thanks to Martin Eberhard Schauer,
87 Closes: #620085, #620169, #621731
88
89 -- Georges Khaznadar <georgesk@ofset.org> Fri, 08 Apr 2011 16:48:26 +0200
90
91 chemical-structures (2.2.dfsg.0-1) unstable; urgency=low
92
93 * fixed the purge script. Closes: #619570
94 * upgraded to the newer upstream version.
95
96 -- Georges Khaznadar <georgesk@ofset.org> Sat, 26 Mar 2011 09:47:25 +0100
97
98 chemical-structures (2.1.dfsg.1-10) unstable; urgency=low
99
100 * integrated Ricardo Fraile's file. Closes: #603671
101 * integrated Nobuhiro Iwamatsu's file. Closes: #603886
102
103 -- Georges Khaznadar <georgesk@ofset.org> Thu, 18 Nov 2010 19:18:52 +0100
104
105 chemical-structures (2.1.dfsg.1-9) unstable; urgency=low
106
107 * added the Itialian translation for debconf, thanks to Vincenzo Campanella
108 * updated the Portuguese translation for debconf, thanks to Américo Monteiro
109 Closes: #602761
110 * repeated Closes stances as multiple targets did not seem to work
111 previoulsy:
112 Closes: #601452
113 Closes: #601722
114 Closes: #602615
115 * integrated Martin Bagge's sv.po file. Closes: Bug#602796
116 * integrated Nobuhiro Iwamatsu's ja.po file. Closes: #602983
117 * integrated Michal Simunek cs.po file. Closes: #603040
118 * integrated Joe Dalton's da.po file. Closes: #603049
119 * integrated Martin Eberhard's de.po file. Closes: #603370
120
121 -- Georges Khaznadar <georgesk@ofset.org> Sat, 13 Nov 2010 21:13:37 +0100
122
123 chemical-structures (2.1.dfsg.1-8) unstable; urgency=low
124
125 * inserted Christian Perrier's fr.po file
126 * replaced "seveurs" by "serveur", following Stéphane Blondon's advice
127 * added the Vietnamese translation. Closes: #602681
128
129 -- Georges Khaznadar <georgesk@ofset.org> Sun, 07 Nov 2010 16:08:59 +0100
130
131 chemical-structures (2.1.dfsg.1-7) unstable; urgency=low
132
133 * added po-debconf translations by Michal Simunek, Américo Monteiro
134 and Yuri Kozlov, respectively for Czech, Portuguese and Russian.
135 Closes: #600197 #601452 #601722 #602615
136
137 -- Georges Khaznadar <georgesk@ofset.org> Sat, 06 Nov 2010 18:11:00 +0100
138
139 chemical-structures (2.1.dfsg.1-6) unstable; urgency=low
140
141 * modified the templates file for debconf.
142 reworked the French translation for deboconf templates.
143 Closes: #602364
144
145 -- Georges Khaznadar <georgesk@ofset.org> Sat, 06 Nov 2010 15:03:48 +0100
146
147 chemical-structures (2.1.dfsg.1-5) unstable; urgency=low
148
149 * added Martin Eberhard Schauer's de.po file, and slightly modified one
150 template accordingly to his suggestion.
151 Closes: #601776
152
153 -- Georges Khaznadar <georgesk@ofset.org> Mon, 01 Nov 2010 18:30:22 +0100
154
155 chemical-structures (2.1.dfsg.1-4) unstable; urgency=low
156
157 * simplified the debconf dialog about apache, thanks to Christian Perrin's
158 hint. Closes: #600500
159 * added debian/po.sv.po and made a tiny modification in the description's
160 translation of the debconf dialog about apache. Closes: #600504
161
162 -- Georges Khaznadar <georgesk@ofset.org> Mon, 18 Oct 2010 10:45:26 +0200
163
164 chemical-structures (2.1.dfsg.1-3) unstable; urgency=low
165
166 * upgraded the standards to 3.9.1 and compat to 7
167 * added a dependency on mics:Depends
168 * changes the rules to build the package as arch-independent
169 * added "set -e" in the config script.
170 * changed "dh_clean -k" to "dh_prep" in debian/rules
171 * first publication in Debian. Closes: #593126
172
173 -- Georges Khaznadar <georgesk@ofset.org> Sun, 15 Aug 2010 19:06:11 +0200
174
175 chemical-structures (2.1.dfsg.1-2) unstable; urgency=low
176
177 * recompiled with newer standards
178
179 -- Georges Khaznadar <georgesk@ofset.org> Mon, 21 Jun 2010 19:38:32 +0200
180
181 chemical-structures (2.1.dfsg.1-1) unstable; urgency=low
182
183 * Upgraded to the new upstream version, removed the .jar files to
184 comply with the DFSG.
185 * remove references to binary files from src/CMakeLists.txt
186 * removed the references to OpenBabel2Exe
187
188 -- Georges Khaznadar <georgesk@ofset.org> Fri, 04 Jan 2008 14:18:48 +0100
189
190 chemical-structures (2.0.dfsg.1-2) unstable; urgency=low
191
192 * new modifications, hinted by Daniel Leidert:
193 * added a postinst script to remove the symlinks in
194 /etc/apache*/conf.d
195
196
197 -- Georges Khaznadar <georgesk@ofset.org> Fri, 19 Jan 2007 18:08:57 +0100
198
199 chemical-structures (2.0.dfsg.1-1) unstable; urgency=low
200
201 * many modifications, hinted by Daniel Leidert <daniel.leidert.spam@gmx.net>
202 * removed any binary file from the source (src/jmol/*.jar)
203 * downgraded the recommendations of jmol, jmol-applet to suggestion
204 * made better build-dependencies
205 * added a recommendation on chemical-mime-data
206 * added a dependency on python, apache* and openbabel
207 * updated the copyright about Jmol.js
208 * modified convert.cgi to manage gzipped source files upon conversion.
209
210 -- Georges Khaznadar <georgesk@ofset.org> Wed, 17 Jan 2007 20:39:26 +0100
211
212 chemical-structures (2.0-2) unstable; urgency=low
213
214 * added a chemical format converter option to the pages containing the
215 molecules
216 * added a CGI script to convert the molecules
217 * added configuration scripts to configure the webserver
218 * modified chemstruc to open an URL with a protocol http
219
220 -- Georges Khaznadar <georgesk@ofset.org> Sat, 13 Jan 2007 20:05:11 +0100
221
222 chemical-structures (2.0-1) unstable; urgency=low
223
224 * Upgrade to new upstream release
225
226 -- Georges Khaznadar <georgesk@ofset.org> Fri, 12 Jan 2007 11:02:42 +0100
227
228 chemical-structures (1.0-2) unstable; urgency=low
229
230 * modified the dependancy: added firefox
231
232 -- Georges Khaznadar <georgesk@ofset.org> Sat, 11 Nov 2006 19:51:25 +0100
233
234 chemical-structures (1.0-1) unstable; urgency=low
235
236 * Upgrade to new upstream release
237
238 -- Georges Khaznadar <georgesk@ofset.org> Tue, 11 Jul 2006 16:32:29 +0200
239
240 chemical-structures (0.9-1) unstable; urgency=low
241
242 * Upgrade to new upstream release
243 * modified the command chemstruc to take in account $LANG
244
245 -- Georges Khaznadar <georgesk@ofset.org> Wed, 21 Jun 2006 09:31:46 +0200
246
247 chemical-structures (0.8-1) unstable; urgency=low
248
249 * Initial release
250
251 -- Georges Khaznadar <georgesk@ofset.org> Wed, 21 Jun 2006 09:21:45 +0200
252
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debian/chemical-structures.config less more
0 #!/bin/bash
1 set -e
2
3 PACKAGE="chemical-structures"
4 SOURCE="chemical-structures"
5 VERSION="2.0"
6
7 . /usr/share/debconf/confmodule
8
9 # Package maintainer's commands follow:
10 db_input medium chemical-structures/reconfigure-webserver || true
11 db_go
12 # End of package maintainer's commands
13
14 exit 0
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debian/chemical-structures.manpages less more
0 debian/chemstruc.1
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debian/chemical-structures.postinst less more
0 #! /bin/sh
1 # postinst script for chemical-structures
2 #
3 # see: dh_installdeb(1)
4
5 set -e
6
7 # summary of how this script can be called:
8 # * <postinst> `configure' <most-recently-configured-version>
9 # * <old-postinst> `abort-upgrade' <new version>
10 # * <conflictor's-postinst> `abort-remove' `in-favour' <package>
11 # <new-version>
12 # * <deconfigured's-postinst> `abort-deconfigure' `in-favour'
13 # <failed-install-package> <version> `removing'
14 # <conflicting-package> <version>
15 # for details, see http://www.debian.org/doc/debian-policy/ or
16 # the debian-policy package
17 #
18
19 . /usr/share/debconf/confmodule
20
21 case "$1" in
22 configure)
23 # make a script executable
24 chmod +x /usr/share/chemical-structures/convert.cgi
25 db_get chemical-structures/restart-webserver
26 if [ "$RET" = "true" ]; then
27 service apache2 reload || true
28 fi
29 if [ -e /usr/share/apache2/apache2-maintscript-helper ] ; then
30 . /usr/share/apache2/apache2-maintscript-helper
31 apache2_invoke enconf chemical-structures.conf
32 fi
33 ;;
34
35 abort-upgrade|abort-remove|abort-deconfigure)
36
37 ;;
38
39 *)
40 echo "postinst called with unknown argument \`$1'" >&2
41 exit 1
42 ;;
43 esac
44
45 # dh_installdeb will replace this with shell code automatically
46 # generated by other debhelper scripts.
47
48 #DEBHELPER#
49
50 exit 0
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debian/chemical-structures.templates less more
0 Template: chemical-structures/restart-webserver
1 Type: boolean
2 Default: false
3 _Description: Should apache2 be restarted?
4 In order to activate the new configuration, apache2 has
5 to be restarted. You can also restart apache2 by manually executing
6 'invoke-rc.d apache2 restart'.
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debian/chemstruc.1 less more
0 '\" t
1 .\" Title: CHEMSTRUC
2 .\" Author: Georges Khaznadar
3 .\" Generator: DocBook XSL Stylesheets v1.75.2 <http://docbook.sf.net/>
4 .\" Date: juin 17, 2006
5 .\" Manual: [FIXME: manual]
6 .\" Source: [FIXME: source]
7 .\" Language: English
8 .\"
9 .TH "CHEMSTRUC" "1" "juin 17, 2006" "[FIXME: source]" "[FIXME: manual]"
10 .\" -----------------------------------------------------------------
11 .\" * Define some portability stuff
12 .\" -----------------------------------------------------------------
13 .\" ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
14 .\" http://bugs.debian.org/507673
15 .\" http://lists.gnu.org/archive/html/groff/2009-02/msg00013.html
16 .\" ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
17 .ie \n(.g .ds Aq \(aq
18 .el .ds Aq '
19 .\" -----------------------------------------------------------------
20 .\" * set default formatting
21 .\" -----------------------------------------------------------------
22 .\" disable hyphenation
23 .nh
24 .\" disable justification (adjust text to left margin only)
25 .ad l
26 .\" -----------------------------------------------------------------
27 .\" * MAIN CONTENT STARTS HERE *
28 .\" -----------------------------------------------------------------
29 .SH "NAME"
30 chemstruc \- calls a browser to view molecular structures
31 .SH "SYNOPSIS"
32 .HP \w'\fBchemstruc\fR\ 'u
33 \fBchemstruc\fR
34 .SH "DESCRIPTION"
35 .PP
36 \fBchemstruc\fR
37 is a program to browse the chemical structures coming with the package chemical\-structures\&.
38 .PP
39 There are currently 253 molecular structures, in the following classes: alcohols, aldehydes, alkanes, alkenes, amides, amines, amino_acids, aromatics, carboxylic_acids, esters, ethers, fatty_acids, haloalkanes, ketones, nitriles, nucleobases, water\&.
40 .SH "AUTHOR"
41 .PP
42 This manual page was written by Georges Khaznadar
43 georgesk@ofset\&.org
44 for the
45 Debian(TM)
46 system (but may be used by others)\&. Permission is granted to copy, distribute and/or modify this document under the terms of the
47 GNU
48 General Public License, Version 2 any later version published by the Free Software Foundation\&.
49 .PP
50 On Debian systems, the complete text of the GNU General Public License can be found in /usr/share/common\-licenses/GPL\&.
51 .SH "AUTHOR"
52 .PP
53 \fBGeorges Khaznadar\fR
54 .RS 4
55 Author.
56 .RE
57 .SH "COPYRIGHT"
58 .br
59 Copyright \(co 2003 Georges Khaznadar
60 .br
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debian/compat less more
0 9
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debian/control less more
0 Source: chemical-structures
1 Section: science
2 Priority: optional
3 Maintainer: Georges Khaznadar <georgesk@debian.org>
4 Build-Depends: debhelper (>= 9), python, po-debconf, cmake, openbabel
5 Build-Depends-Indep: xsltproc, docbook-xsl, docbook-xml
6 Standards-Version: 3.9.6
7
8 Package: chemical-structures
9 Architecture: all
10 Depends: ${misc:Depends}, debconf, python, openbabel
11 Recommends: chemical-mime-data, apache2| httpd, iceweasel|iceape
12 Suggests: jmol, jmol-applet
13 Description: set of molecular structures in open formats
14 hundreds of molecular structures, in the following classes: alcohols,
15 aldehydes, alkanes, alkenes, amides, amines, amino_acids, aromatics,
16 carboxylic_acids, esters, ethers, fatty_acids, haloalkanes, ketones,
17 nitriles,nucleobases, water.
18
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debian/copyright less more
0 This package was debianized by Georges Khaznadar <georgesk@ofset.org> on
1 Fri, 16 Jun 2006 11:16:38 +0200.
2
3 It was downloaded from http://www.pansanel.net/chemistry/resources/chemical-structures-0.8.src.tar.gz
4
5 Copyright Holder: Jerome PANSANEL <j.pansanel@pansanel.net>
6
7 License:
8
9 Copyright (c) 2006 Jerome Pansanel <j.pansanel@pansanel.net>
10 All rights reserved.
11
12 Redistribution and use in source and binary forms, with or without
13 modification, are permitted provided that the following conditions
14 are met:
15 1. Redistributions of source code must retain the above copyright
16 notice, this list of conditions and the following disclaimer.
17 2. Redistributions in binary form must reproduce the above copyright
18 notice, this list of conditions and the following disclaimer in the
19 documentation and/or other materials provided with the distribution.
20 3. Neither the name of the University nor the names of its contributors
21 may be used to endorse or promote products derived from this software
22 without specific prior written permission.
23
24 THIS SOFTWARE IS PROVIDED BY THE REGENTS AND CONTRIBUTORS ``AS IS'' AND
25 ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
26 IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
27 ARE DISCLAIMED. IN NO EVENT SHALL THE REGENTS OR CONTRIBUTORS BE LIABLE
28 FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
29 DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS
30 OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION)
31 HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT
32 LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY
33 OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF
34 SUCH DAMAGE.
35
36 ----------------
37
38 The file Jmol.js is licensed under the LGPL 2.1,
39 see /usr/share/common-licenses/LGPL-2.1
+3
-0
debian/dirs less more
0 usr/share/doc/chemical-structures
1 usr/bin
2 etc/apache2/conf-available
+1
-0
debian/docs less more
0 TODO
+109
-0
debian/manpage.xml less more
0 <?xml version='1.0' encoding='ISO-8859-1'?>
1 <!DOCTYPE refentry PUBLIC "-//OASIS//DTD DocBook XML V4.2//EN"
2 "http://www.oasis-open.org/docbook/xml/4.2/docbookx.dtd" [
3
4 <!--
5
6 Process this file with an XSLT processor: `xsltproc \
7 -''-nonet /usr/share/sgml/docbook/stylesheet/xsl/nwalsh/\
8 manpages/docbook.xsl manpage.dbk'. A manual page
9 <package>.<section> will be generated. You may view the
10 manual page with: nroff -man <package>.<section> | less'. A
11 typical entry in a Makefile or Makefile.am is:
12
13 DB2MAN=/usr/share/sgml/docbook/stylesheet/xsl/nwalsh/\
14 manpages/docbook.xsl
15 XP=xsltproc -''-nonet
16
17 manpage.1: manpage.dbk
18 $(XP) $(DB2MAN) $<
19
20 The xsltproc binary is found in the xsltproc package. The
21 XSL files are in docbook-xsl. Please remember that if you
22 create the nroff version in one of the debian/rules file
23 targets (such as build), you will need to include xsltproc
24 and docbook-xsl in your Build-Depends control field.
25
26 -->
27
28 <!-- Fill in your name for FIRSTNAME and SURNAME. -->
29 <!ENTITY dhfirstname "<firstname>Georges</firstname>">
30 <!ENTITY dhsurname "<surname>Khaznadar</surname>">
31 <!-- Please adjust the date whenever revising the manpage. -->
32 <!ENTITY dhdate "<date>juin 17, 2006</date>">
33 <!-- SECTION should be 1-8, maybe w/ subsection other parameters are
34 allowed: see man(7), man(1). -->
35 <!ENTITY dhsection "<manvolnum>1</manvolnum>">
36 <!ENTITY dhemail "<email>georgesk@ofset.org</email>">
37 <!ENTITY dhusername "Georges Khaznadar">
38 <!ENTITY dhucpackage "<refentrytitle>CHEMSTRUC</refentrytitle>">
39 <!ENTITY dhpackage "chemstruc">
40
41 <!ENTITY debian "<productname>Debian</productname>">
42 <!ENTITY gnu "<acronym>GNU</acronym>">
43 <!ENTITY gpl "&gnu; <acronym>GPL</acronym>">
44 ]>
45
46 <refentry>
47 <refentryinfo>
48 <address>
49 &dhemail;
50 </address>
51 <author>
52 &dhfirstname;
53 &dhsurname;
54 </author>
55 <copyright>
56 <year>2003</year>
57 <holder>&dhusername;</holder>
58 </copyright>
59 &dhdate;
60 </refentryinfo>
61 <refmeta>
62 &dhucpackage;
63
64 &dhsection;
65 </refmeta>
66 <refnamediv>
67 <refname>&dhpackage;</refname>
68
69 <refpurpose>calls a browser to view molecular structures</refpurpose>
70 </refnamediv>
71 <refsynopsisdiv>
72 <cmdsynopsis>
73 <command>&dhpackage;</command>
74 </cmdsynopsis>
75 </refsynopsisdiv>
76 <refsect1>
77 <title>DESCRIPTION</title>
78
79 <para><command>&dhpackage;</command> is a program to browse the chemical
80 structures coming with the package chemical-structures.
81 </para>
82 <para>
83 There are currently 253 molecular structures, in the following classes:
84 alcohols, aldehydes,
85 alkanes, alkenes, amides, amines, amino_acids,
86 aromatics, carboxylic_acids,
87 esters, ethers, fatty_acids, haloalkanes,
88 ketones, nitriles, nucleobases,
89 water.</para>
90
91 </refsect1>
92 <refsect1>
93 <title>AUTHOR</title>
94
95 <para>This manual page was written by &dhusername; &dhemail; for
96 the &debian; system (but may be used by others). Permission is
97 granted to copy, distribute and/or modify this document under
98 the terms of the &gnu; General Public License, Version 2 any
99 later version published by the Free Software Foundation.
100 </para>
101 <para>
102 On Debian systems, the complete text of the GNU General Public
103 License can be found in /usr/share/common-licenses/GPL.
104 </para>
105
106 </refsect1>
107 </refentry>
108
+19
-0
debian/patches/apache.conf less more
0 Index: chemical-structures-2.2.dfsg.0/apache.conf
1 ===================================================================
2 --- /dev/null
3 +++ chemical-structures-2.2.dfsg.0/apache.conf
4 @@ -0,0 +1,14 @@
5 +# chemical-structures setup for Apache
6 +# with no virtual host
7 +
8 +Alias /chemical-structures /usr/share/chemical-structures/
9 +
10 +<Directory /usr/share/chemical-structures/>
11 + AllowOverride None
12 + DirectoryIndex index.html
13 + Options +ExecCGI
14 + AddHandler cgi-script .cgi
15 + AddDefaultCharset UTF-8;
16 + Order allow,deny
17 + Allow from all
18 +</Directory>
+12
-0
debian/patches/apache.conf.patch less more
0 Index: chemical-structures-2.2.dfsg.0/apache.conf
1 ===================================================================
2 --- chemical-structures-2.2.dfsg.0.orig/apache.conf
3 +++ chemical-structures-2.2.dfsg.0/apache.conf
4 @@ -9,6 +9,5 @@ Alias /chemical-structures /usr/share/ch
5 Options +ExecCGI
6 AddHandler cgi-script .cgi
7 AddDefaultCharset UTF-8;
8 - Order allow,deny
9 - Allow from all
10 + Require all granted
11 </Directory>
+547
-0
debian/patches/build-xyz-files.patch less more
0 --- a/src/alcohols/CMakeLists.txt
1 +++ b/src/alcohols/CMakeLists.txt
2 @@ -43,6 +43,13 @@
3 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
4 )
5 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
6 + # Generate xyz files
7 + set(xyz_FILE "${cml_WE}.xyz")
8 + add_custom_command(TARGET ${CHEM_GROUP}
9 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
10 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
11 + )
12 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
13 # Generate smi files
14 set(smi_FILE "${cml_WE}.smi")
15 add_custom_command(TARGET ${CHEM_GROUP}
16 --- a/src/water/CMakeLists.txt
17 +++ b/src/water/CMakeLists.txt
18 @@ -43,6 +43,13 @@
19 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
20 )
21 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
22 + # Generate xyz files
23 + set(xyz_FILE "${cml_WE}.xyz")
24 + add_custom_command(TARGET ${CHEM_GROUP}
25 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
26 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
27 + )
28 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
29 # Generate smi files
30 set(smi_FILE "${cml_WE}.smi")
31 add_custom_command(TARGET ${CHEM_GROUP}
32 --- a/src/acid_anhydrides/CMakeLists.txt
33 +++ b/src/acid_anhydrides/CMakeLists.txt
34 @@ -43,6 +43,13 @@
35 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
36 )
37 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
38 + # Generate xyz files
39 + set(xyz_FILE "${cml_WE}.xyz")
40 + add_custom_command(TARGET ${CHEM_GROUP}
41 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
42 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
43 + )
44 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
45 # Generate smi files
46 set(smi_FILE "${cml_WE}.smi")
47 add_custom_command(TARGET ${CHEM_GROUP}
48 --- a/src/aldehydes/CMakeLists.txt
49 +++ b/src/aldehydes/CMakeLists.txt
50 @@ -43,6 +43,13 @@
51 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
52 )
53 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
54 + # Generate xyz files
55 + set(xyz_FILE "${cml_WE}.xyz")
56 + add_custom_command(TARGET ${CHEM_GROUP}
57 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
58 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
59 + )
60 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
61 # Generate smi files
62 set(smi_FILE "${cml_WE}.smi")
63 add_custom_command(TARGET ${CHEM_GROUP}
64 --- a/src/alkanes/CMakeLists.txt
65 +++ b/src/alkanes/CMakeLists.txt
66 @@ -43,6 +43,13 @@
67 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
68 )
69 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
70 + # Generate xyz files
71 + set(xyz_FILE "${cml_WE}.xyz")
72 + add_custom_command(TARGET ${CHEM_GROUP}
73 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
74 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
75 + )
76 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
77 # Generate smi files
78 set(smi_FILE "${cml_WE}.smi")
79 add_custom_command(TARGET ${CHEM_GROUP}
80 --- a/src/alkenes/CMakeLists.txt
81 +++ b/src/alkenes/CMakeLists.txt
82 @@ -43,6 +43,13 @@
83 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
84 )
85 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
86 + # Generate xyz files
87 + set(xyz_FILE "${cml_WE}.xyz")
88 + add_custom_command(TARGET ${CHEM_GROUP}
89 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
90 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
91 + )
92 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
93 # Generate smi files
94 set(smi_FILE "${cml_WE}.smi")
95 add_custom_command(TARGET ${CHEM_GROUP}
96 --- a/src/alkynes/CMakeLists.txt
97 +++ b/src/alkynes/CMakeLists.txt
98 @@ -43,6 +43,13 @@
99 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
100 )
101 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
102 + # Generate xyz files
103 + set(xyz_FILE "${cml_WE}.xyz")
104 + add_custom_command(TARGET ${CHEM_GROUP}
105 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
106 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
107 + )
108 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
109 # Generate smi files
110 set(smi_FILE "${cml_WE}.smi")
111 add_custom_command(TARGET ${CHEM_GROUP}
112 --- a/src/amides/CMakeLists.txt
113 +++ b/src/amides/CMakeLists.txt
114 @@ -43,6 +43,13 @@
115 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
116 )
117 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
118 + # Generate xyz files
119 + set(xyz_FILE "${cml_WE}.xyz")
120 + add_custom_command(TARGET ${CHEM_GROUP}
121 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
122 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
123 + )
124 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
125 # Generate smi files
126 set(smi_FILE "${cml_WE}.smi")
127 add_custom_command(TARGET ${CHEM_GROUP}
128 --- a/src/amines/CMakeLists.txt
129 +++ b/src/amines/CMakeLists.txt
130 @@ -43,6 +43,13 @@
131 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
132 )
133 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
134 + # Generate xyz files
135 + set(xyz_FILE "${cml_WE}.xyz")
136 + add_custom_command(TARGET ${CHEM_GROUP}
137 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
138 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
139 + )
140 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
141 # Generate smi files
142 set(smi_FILE "${cml_WE}.smi")
143 add_custom_command(TARGET ${CHEM_GROUP}
144 --- a/src/amino_acids/CMakeLists.txt
145 +++ b/src/amino_acids/CMakeLists.txt
146 @@ -43,6 +43,13 @@
147 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
148 )
149 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
150 + # Generate xyz files
151 + set(xyz_FILE "${cml_WE}.xyz")
152 + add_custom_command(TARGET ${CHEM_GROUP}
153 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
154 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
155 + )
156 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
157 # Generate smi files
158 set(smi_FILE "${cml_WE}.smi")
159 add_custom_command(TARGET ${CHEM_GROUP}
160 --- a/src/aromatics/CMakeLists.txt
161 +++ b/src/aromatics/CMakeLists.txt
162 @@ -43,6 +43,13 @@
163 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
164 )
165 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
166 + # Generate xyz files
167 + set(xyz_FILE "${cml_WE}.xyz")
168 + add_custom_command(TARGET ${CHEM_GROUP}
169 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
170 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
171 + )
172 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
173 # Generate smi files
174 set(smi_FILE "${cml_WE}.smi")
175 add_custom_command(TARGET ${CHEM_GROUP}
176 --- a/src/carbamides/CMakeLists.txt
177 +++ b/src/carbamides/CMakeLists.txt
178 @@ -43,6 +43,13 @@
179 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
180 )
181 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
182 + # Generate xyz files
183 + set(xyz_FILE "${cml_WE}.xyz")
184 + add_custom_command(TARGET ${CHEM_GROUP}
185 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
186 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
187 + )
188 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
189 # Generate smi files
190 set(smi_FILE "${cml_WE}.smi")
191 add_custom_command(TARGET ${CHEM_GROUP}
192 --- a/src/carbohydrates/CMakeLists.txt
193 +++ b/src/carbohydrates/CMakeLists.txt
194 @@ -43,6 +43,13 @@
195 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
196 )
197 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
198 + # Generate xyz files
199 + set(xyz_FILE "${cml_WE}.xyz")
200 + add_custom_command(TARGET ${CHEM_GROUP}
201 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
202 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
203 + )
204 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
205 # Generate smi files
206 set(smi_FILE "${cml_WE}.smi")
207 add_custom_command(TARGET ${CHEM_GROUP}
208 --- a/src/carboxylic_acids/CMakeLists.txt
209 +++ b/src/carboxylic_acids/CMakeLists.txt
210 @@ -43,6 +43,13 @@
211 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
212 )
213 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
214 + # Generate xyz files
215 + set(xyz_FILE "${cml_WE}.xyz")
216 + add_custom_command(TARGET ${CHEM_GROUP}
217 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
218 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
219 + )
220 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
221 # Generate smi files
222 set(smi_FILE "${cml_WE}.smi")
223 add_custom_command(TARGET ${CHEM_GROUP}
224 --- a/src/drugs/CMakeLists.txt
225 +++ b/src/drugs/CMakeLists.txt
226 @@ -43,6 +43,13 @@
227 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
228 )
229 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
230 + # Generate xyz files
231 + set(xyz_FILE "${cml_WE}.xyz")
232 + add_custom_command(TARGET ${CHEM_GROUP}
233 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
234 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
235 + )
236 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
237 # Generate smi files
238 set(smi_FILE "${cml_WE}.smi")
239 add_custom_command(TARGET ${CHEM_GROUP}
240 --- a/src/esters/CMakeLists.txt
241 +++ b/src/esters/CMakeLists.txt
242 @@ -43,6 +43,13 @@
243 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
244 )
245 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
246 + # Generate xyz files
247 + set(xyz_FILE "${cml_WE}.xyz")
248 + add_custom_command(TARGET ${CHEM_GROUP}
249 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
250 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
251 + )
252 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
253 # Generate smi files
254 set(smi_FILE "${cml_WE}.smi")
255 add_custom_command(TARGET ${CHEM_GROUP}
256 --- a/src/ethers/CMakeLists.txt
257 +++ b/src/ethers/CMakeLists.txt
258 @@ -43,6 +43,13 @@
259 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
260 )
261 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
262 + # Generate xyz files
263 + set(xyz_FILE "${cml_WE}.xyz")
264 + add_custom_command(TARGET ${CHEM_GROUP}
265 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
266 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
267 + )
268 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
269 # Generate smi files
270 set(smi_FILE "${cml_WE}.smi")
271 add_custom_command(TARGET ${CHEM_GROUP}
272 --- a/src/fatty_acids/CMakeLists.txt
273 +++ b/src/fatty_acids/CMakeLists.txt
274 @@ -43,6 +43,13 @@
275 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
276 )
277 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
278 + # Generate xyz files
279 + set(xyz_FILE "${cml_WE}.xyz")
280 + add_custom_command(TARGET ${CHEM_GROUP}
281 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
282 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
283 + )
284 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
285 # Generate smi files
286 set(smi_FILE "${cml_WE}.smi")
287 add_custom_command(TARGET ${CHEM_GROUP}
288 --- a/src/haloalkanes/CMakeLists.txt
289 +++ b/src/haloalkanes/CMakeLists.txt
290 @@ -43,6 +43,13 @@
291 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
292 )
293 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
294 + # Generate xyz files
295 + set(xyz_FILE "${cml_WE}.xyz")
296 + add_custom_command(TARGET ${CHEM_GROUP}
297 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
298 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
299 + )
300 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
301 # Generate smi files
302 set(smi_FILE "${cml_WE}.smi")
303 add_custom_command(TARGET ${CHEM_GROUP}
304 --- a/src/heteroaromatics/CMakeLists.txt
305 +++ b/src/heteroaromatics/CMakeLists.txt
306 @@ -43,6 +43,13 @@
307 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
308 )
309 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
310 + # Generate xyz files
311 + set(xyz_FILE "${cml_WE}.xyz")
312 + add_custom_command(TARGET ${CHEM_GROUP}
313 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
314 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
315 + )
316 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
317 # Generate smi files
318 set(smi_FILE "${cml_WE}.smi")
319 add_custom_command(TARGET ${CHEM_GROUP}
320 --- a/src/ketones/CMakeLists.txt
321 +++ b/src/ketones/CMakeLists.txt
322 @@ -43,6 +43,13 @@
323 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
324 )
325 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
326 + # Generate xyz files
327 + set(xyz_FILE "${cml_WE}.xyz")
328 + add_custom_command(TARGET ${CHEM_GROUP}
329 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
330 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
331 + )
332 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
333 # Generate smi files
334 set(smi_FILE "${cml_WE}.smi")
335 add_custom_command(TARGET ${CHEM_GROUP}
336 --- a/src/macrocycles/CMakeLists.txt
337 +++ b/src/macrocycles/CMakeLists.txt
338 @@ -43,6 +43,13 @@
339 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
340 )
341 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
342 + # Generate xyz files
343 + set(xyz_FILE "${cml_WE}.xyz")
344 + add_custom_command(TARGET ${CHEM_GROUP}
345 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
346 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
347 + )
348 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
349 # Generate smi files
350 set(smi_FILE "${cml_WE}.smi")
351 add_custom_command(TARGET ${CHEM_GROUP}
352 --- a/src/natural_products/CMakeLists.txt
353 +++ b/src/natural_products/CMakeLists.txt
354 @@ -43,6 +43,13 @@
355 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
356 )
357 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
358 + # Generate xyz files
359 + set(xyz_FILE "${cml_WE}.xyz")
360 + add_custom_command(TARGET ${CHEM_GROUP}
361 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
362 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
363 + )
364 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
365 # Generate smi files
366 set(smi_FILE "${cml_WE}.smi")
367 add_custom_command(TARGET ${CHEM_GROUP}
368 --- a/src/nitriles/CMakeLists.txt
369 +++ b/src/nitriles/CMakeLists.txt
370 @@ -43,6 +43,13 @@
371 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
372 )
373 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
374 + # Generate xyz files
375 + set(xyz_FILE "${cml_WE}.xyz")
376 + add_custom_command(TARGET ${CHEM_GROUP}
377 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
378 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
379 + )
380 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
381 # Generate smi files
382 set(smi_FILE "${cml_WE}.smi")
383 add_custom_command(TARGET ${CHEM_GROUP}
384 --- a/src/nitroalkanes/CMakeLists.txt
385 +++ b/src/nitroalkanes/CMakeLists.txt
386 @@ -43,6 +43,13 @@
387 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
388 )
389 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
390 + # Generate xyz files
391 + set(xyz_FILE "${cml_WE}.xyz")
392 + add_custom_command(TARGET ${CHEM_GROUP}
393 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
394 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
395 + )
396 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
397 # Generate smi files
398 set(smi_FILE "${cml_WE}.smi")
399 add_custom_command(TARGET ${CHEM_GROUP}
400 --- a/src/nucleobases/CMakeLists.txt
401 +++ b/src/nucleobases/CMakeLists.txt
402 @@ -43,6 +43,13 @@
403 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
404 )
405 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
406 + # Generate xyz files
407 + set(xyz_FILE "${cml_WE}.xyz")
408 + add_custom_command(TARGET ${CHEM_GROUP}
409 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
410 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
411 + )
412 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
413 # Generate smi files
414 set(smi_FILE "${cml_WE}.smi")
415 add_custom_command(TARGET ${CHEM_GROUP}
416 --- a/src/peptides/CMakeLists.txt
417 +++ b/src/peptides/CMakeLists.txt
418 @@ -43,6 +43,13 @@
419 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
420 )
421 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
422 + # Generate xyz files
423 + set(xyz_FILE "${cml_WE}.xyz")
424 + add_custom_command(TARGET ${CHEM_GROUP}
425 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
426 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
427 + )
428 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
429 # Generate smi files
430 set(smi_FILE "${cml_WE}.smi")
431 add_custom_command(TARGET ${CHEM_GROUP}
432 --- a/src/polycyclic_alkanes/CMakeLists.txt
433 +++ b/src/polycyclic_alkanes/CMakeLists.txt
434 @@ -43,6 +43,13 @@
435 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
436 )
437 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
438 + # Generate xyz files
439 + set(xyz_FILE "${cml_WE}.xyz")
440 + add_custom_command(TARGET ${CHEM_GROUP}
441 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
442 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
443 + )
444 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
445 # Generate smi files
446 set(smi_FILE "${cml_WE}.smi")
447 add_custom_command(TARGET ${CHEM_GROUP}
448 --- a/src/polycyclic_aromatics/CMakeLists.txt
449 +++ b/src/polycyclic_aromatics/CMakeLists.txt
450 @@ -43,6 +43,13 @@
451 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
452 )
453 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
454 + # Generate xyz files
455 + set(xyz_FILE "${cml_WE}.xyz")
456 + add_custom_command(TARGET ${CHEM_GROUP}
457 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
458 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
459 + )
460 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
461 # Generate smi files
462 set(smi_FILE "${cml_WE}.smi")
463 add_custom_command(TARGET ${CHEM_GROUP}
464 --- a/src/sulfones/CMakeLists.txt
465 +++ b/src/sulfones/CMakeLists.txt
466 @@ -43,6 +43,13 @@
467 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
468 )
469 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
470 + # Generate xyz files
471 + set(xyz_FILE "${cml_WE}.xyz")
472 + add_custom_command(TARGET ${CHEM_GROUP}
473 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
474 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
475 + )
476 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
477 # Generate smi files
478 set(smi_FILE "${cml_WE}.smi")
479 add_custom_command(TARGET ${CHEM_GROUP}
480 --- a/src/sulfoxides/CMakeLists.txt
481 +++ b/src/sulfoxides/CMakeLists.txt
482 @@ -43,6 +43,13 @@
483 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
484 )
485 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
486 + # Generate xyz files
487 + set(xyz_FILE "${cml_WE}.xyz")
488 + add_custom_command(TARGET ${CHEM_GROUP}
489 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
490 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
491 + )
492 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
493 # Generate smi files
494 set(smi_FILE "${cml_WE}.smi")
495 add_custom_command(TARGET ${CHEM_GROUP}
496 --- a/src/thioethers/CMakeLists.txt
497 +++ b/src/thioethers/CMakeLists.txt
498 @@ -43,6 +43,13 @@
499 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
500 )
501 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
502 + # Generate xyz files
503 + set(xyz_FILE "${cml_WE}.xyz")
504 + add_custom_command(TARGET ${CHEM_GROUP}
505 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
506 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
507 + )
508 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
509 # Generate smi files
510 set(smi_FILE "${cml_WE}.smi")
511 add_custom_command(TARGET ${CHEM_GROUP}
512 --- a/src/thiols/CMakeLists.txt
513 +++ b/src/thiols/CMakeLists.txt
514 @@ -43,6 +43,13 @@
515 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
516 )
517 set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${mol_FILE}")
518 + # Generate xyz files
519 + set(xyz_FILE "${cml_WE}.xyz")
520 + add_custom_command(TARGET ${CHEM_GROUP}
521 + COMMAND ${OPENBABEL2_EXECUTABLE} -icml ${cml_FILE} -oxyz ${xyz_FILE}
522 + WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
523 + )
524 + set(chemical_structure_files ${chemical_structure_files} "${CMAKE_CURRENT_BINARY_DIR}/${xyz_FILE}")
525 # Generate smi files
526 set(smi_FILE "${cml_WE}.smi")
527 add_custom_command(TARGET ${CHEM_GROUP}
528 --- a/tools/cmlwriter.py
529 +++ b/tools/cmlwriter.py
530 @@ -125,6 +125,7 @@
531
532 cml_file = entry_details.path + '.cml'
533 mol_file = entry_details.path + '.mol'
534 + xyz_file = entry_details.path + '.xyz'
535 smi_file = entry_details.path + '.smi'
536 smiles = ""
537 if os.path.isfile(smi_file):
538 @@ -232,6 +233,8 @@
539 xhtmlout.addBody(' <li>' + self.l10n.translate('In CML format', lang) + '&nbsp;<a href="' + cml_file + '" title="CML"><img src="' + '../'*level + 'images/download.png" alt="Download cml file" /></a></li>')
540 if os.path.isfile(mol_file):
541 xhtmlout.addBody(' <li>' + self.l10n.translate('In MOL format', lang) + '&nbsp;<a href="' + mol_file + '" title="MOL"><img src="' + '../'*level + 'images/download.png" alt="Download mol file" /></a></li>')
542 + if os.path.isfile(xyz_file):
543 + xhtmlout.addBody(' <li>' + self.l10n.translate('In XYZ format', lang) + '&nbsp;<a href="' + xyz_file + '" title="XYZ"><img src="' + '../'*level + 'images/download.png" alt="Download xyz file" /></a></li>')
544 xhtmlout.addBody(' <li>' + self.l10n.translate('Other formats', lang) + '&nbsp;'+self.selection+'</li>')
545 xhtmlout.addBody(' </ul>')
546 xhtmlout.addBody(' </div>')
+31
-0
debian/patches/chemstruc less more
0 Index: chemical-structures-2.2.dfsg.0/chemstruc
1 ===================================================================
2 --- /dev/null
3 +++ chemical-structures-2.2.dfsg.0/chemstruc
4 @@ -0,0 +1,26 @@
5 +#!/bin/sh
6 +
7 +case $LANG in
8 + fr*)
9 + index=index_fr.html
10 + ;;
11 + de*)
12 + index=index_de.html
13 + ;;
14 + *)
15 + index=index_en.html
16 + ;;
17 +esac
18 +
19 +if [ -x /usr/bin/firefox ]; then
20 + BROWSER=firefox
21 +else
22 + if [ -x /usr/bin/mozilla ]; then
23 + BROWSER=mozilla
24 + else
25 + BROWSER=sensible-browser
26 + fi
27 +fi
28 +
29 +($BROWSER http://localhost/chemical-structures/$index &)
30 +
+95
-0
debian/patches/convert.cgi less more
0 Index: chemical-structures-2.2.dfsg.0/convert.cgi
1 ===================================================================
2 --- /dev/null
3 +++ chemical-structures-2.2.dfsg.0/convert.cgi
4 @@ -0,0 +1,90 @@
5 +#!/usr/bin/python
6 +
7 +import cgi, os, tempfile
8 +import cgitb; cgitb.enable()
9 +
10 +form = cgi.FieldStorage()
11 +
12 +"""
13 +contentTypes were made from the package chemical-mime-data with some additions
14 +"""
15 +
16 +contentTypes={
17 + 'alc':'chemical/x-alchemy',
18 + 'arc':'chemical/x-msi-car',
19 + 'c3d':'chemical/x-chem3d',
20 + 'cac':'chemical/x-cache',
21 + 'cache':'chemical/x-cache',
22 + 'car':'chemical/x-msi-car',
23 + 'cdx':'chemical/x-cdx',
24 + 'cif':'chemical/x-cif',
25 + 'cml':'chemical/x-cml',
26 + 'cor':'chemical/x-msi-car',
27 + 'dat':'chemical/x-mopac-input',
28 + 'dx':'chemical/x-jcamp-dx',
29 + 'gal':'chemical/x-gaussian-log',
30 + 'gam':'chemical/x-gamess-input',
31 + 'gamin':'chemical/x-gamess-input',
32 + 'gau':'chemical/x-gaussian-input',
33 + 'gjc':'chemical/x-gaussian-input',
34 + 'gjf':'chemical/x-gaussian-input',
35 + 'gpr':'chemical/x-gpr',
36 + 'gpt':'chemical/x-mopac-graph',
37 + 'hessian':'chemical/x-msi-hessian',
38 + 'hin':'chemical/x-hin',
39 + 'inchi':'chemical/x-inchi',
40 + 'inchix':'chemical/x-inchi-xml',
41 + 'inp':'chemical/x-gamess-input',
42 + 'jdx':'chemical/x-jcamp-dx',
43 + 'mcif':'chemical/x-mmcif',
44 + 'mdf':'chemical/x-msi-mdf',
45 + 'mdl':'chemical/x-mdl-molfile',
46 + 'mmd':'chemical/x-macromodel-input',
47 + 'mmod':'chemical/x-macromodel-input',
48 + 'mol':'chemical/x-mdl-molfile',
49 + 'mol2':'chemical/x-mol2',
50 + 'moo':'chemical/x-mopac-out',
51 + 'mop':'chemical/x-mopac-input',
52 + 'mopcrt':'chemical/x-mopac-input',
53 + 'mpc':'chemical/x-mopac-input',
54 + 'msi':'chemical/x-msi-msi',
55 + 'out':'chemical/x-mopac-out',
56 + 'outmol':'chemical/x-dmol',
57 + 'pdb':'chemical/x-pdb',
58 + 'rd':'chemical/x-mdl-rdfile',
59 + 'res':'chemical/x-shelx',
60 + 'rxn':'chemical/x-mdl-rxnfile',
61 + 'sd':'chemical/x-mdl-sdfile',
62 + 'sdf':'chemical/x-mdl-sdfile',
63 + 'tgf':'chemical/x-mdl-tgf',
64 + 'vmd':'chemical/x-vmd',
65 + 'xyz':'chemical/x-xyz',
66 + 'zmt':'chemical/x-mopac-input'}
67 +
68 +
69 +def output(mol, ext, debug=False):
70 +
71 + if contentTypes.has_key(ext):
72 + ct=contentTypes[ext]
73 + else:
74 + ct='chemical/unknown'
75 + if debug:
76 + print "Content-type: text/html\n\n"
77 + else:
78 + print "Content-type: %s\nContent-Disposition: inline; filename=\"%s\"\n\n" %(ct,mol+'.'+ext)
79 + handle,outfile=tempfile.mkstemp('.'+ext)
80 + if os.path.exists(mol+".cml.gz"):
81 + handle1,outfile1=tempfile.mkstemp('.cml')
82 + os.system("zcat %s.cml.gz > %s" %(mol,outfile1))
83 + os.system("babel -icml %s -o%s %s" %(outfile1,ext,outfile))
84 + os.remove(outfile1)
85 + else:
86 + os.system("babel -icml %s.cml -o%s %s" %(mol,ext,outfile))
87 + print ''.join(open(outfile).readlines())
88 + os.remove(outfile)
89 +
90 +
91 +
92 +if __name__ == "__main__":
93 + output(form["mol"].value, form["ext"].value)
94 +
+13
-0
debian/patches/privacy.patch less more
0 Index: chemical-structures-2.2.dfsg.0/src/htdocs/notices.html
1 ===================================================================
2 --- chemical-structures-2.2.dfsg.0.orig/src/htdocs/notices.html
3 +++ chemical-structures-2.2.dfsg.0/src/htdocs/notices.html
4 @@ -70,7 +70,7 @@ involvement of the following contributor
5 <div class="footer">
6 <a href="http://www.alchem.org/"><img src="../images/alchemlogo.png" alt="Header image"/></a>
7 <a href="http://www.blueobelisk.org/"><img src="../images/bologo.png" alt="Header image"/></a>
8 - <a href="http://sourceforge.net/projects/chem-file"><img src="http://sflogo.sourceforge.net/sflogo.php?group_id=169897&amp;type=1" width="88" height="31" border="0" alt="SourceForge.net Logo" /></a>
9 + <a href="http://sourceforge.net/projects/chem-file"><img src="data:image/png;base64,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" width="88" height="31" border="0" alt="SourceForge.net Logo" /></a>
10 </div>
11
12 </body>
+9
-0
debian/patches/series less more
0 convert.cgi
1 tools~cmlwriter.py
2 apache.conf
3 chemstruc
4 src~jmol~jmol.js
5 xml~l10n.xml
6 build-xyz-files.patch
7 apache.conf.patch
8 privacy.patch
+18
-0
debian/patches/src~jmol~jmol.js less more
0 Index: chemical-structures-2.2.dfsg.0/src/jmol/Jmol.js
1 ===================================================================
2 --- chemical-structures-2.2.dfsg.0.orig/src/jmol/Jmol.js
3 +++ chemical-structures-2.2.dfsg.0/src/jmol/Jmol.js
4 @@ -158,7 +158,12 @@ function jmolSetAppletWindow(w) {
5
6 function jmolApplet(size, script, nameSuffix) {
7 _jmolInitCheck();
8 - return _jmolApplet(size, null, script, nameSuffix);
9 + /// the applets have been removed from the main repository of Debian
10 + /// they must be provided by another package
11 + //////////////////
12 + /// return _jmolApplet(size, null, script, nameSuffix);
13 + d=window.document.getElementById("structure");
14 + d.innerHTML="(no Jmol applet featured)";
15 }
16
17 ////////////////////////////////////////////////////////////////
+110
-0
debian/patches/tools~cmlwriter.py less more
0 Index: chemical-structures-2.2.dfsg.0/tools/cmlwriter.py
1 ===================================================================
2 --- chemical-structures-2.2.dfsg.0.orig/tools/cmlwriter.py
3 +++ chemical-structures-2.2.dfsg.0/tools/cmlwriter.py
4 @@ -17,6 +17,86 @@ class CMLWriter:
5 self.fout = fout
6 self.cml = cml_handler
7 self.l10n = l10n_handler
8 + self.scriptFormat="""
9 + <script type='text/javascript'>
10 + function getOtherFormat(obj){
11 + i=obj.selectedIndex
12 + if(i>0){
13 + l=document.location+''
14 + ext=obj.options[i].value
15 + mol=l.replace(/.*chemical-structures\/(.*)_[a-z]*\.html$/,'$1')
16 + newl='../convert.cgi?mol='+escape(mol)+"&ext="+ext
17 + document.location=newl
18 + }
19 + }
20 + </script>
21 +"""
22 + self.selection="""
23 + <select id="format" name="format" onChange="getOtherFormat(this)">
24 + <option value="none">----------------</option>
25 + <option value="alc">ALC -- Alchemy format</option>
26 + <option value="bgf">BGF -- MSI BGF format</option>
27 + <option value="box">BOX -- Dock 3.5 Box format</option>
28 + <option value="bs">BS -- Ball and Stick format</option>
29 + <option value="c3d1">C3D1 -- Chem3D Cartesian 1 format</option>
30 + <option value="c3d2">C3D2 -- Chem3D Cartesian 2 format</option>
31 + <option value="caccrt">CACCRT -- Cacao Cartesian format</option>
32 + <option value="cache">CACHE -- CAChe MolStruct format [Write-only]</option>
33 + <option value="cacint">CACINT -- Cacao Internal format [Write-only]</option>
34 + <option value="cht">CHT -- Chemtool format [Write-only]</option>
35 + <option value="cml">CML -- Chemical Markup Language</option>
36 + <option value="cmlr">CMLR -- CML Reaction format</option>
37 + <option value="com">COM -- Gaussian 98/03 Cartesian Input [Write-only]</option>
38 + <option value="copy">COPY -- Copies raw text [Write-only]</option>
39 + <option value="crk2d">CRK2D -- Chemical Resource Kit diagram format (2D)</option>
40 + <option value="crk3d">CRK3D -- Chemical Resource Kit 3D format</option>
41 + <option value="csr">CSR -- Accelrys/MSI Quanta CSR format [Write-only]</option>
42 + <option value="cssr">CSSR -- CSD CSSR format [Write-only]</option>
43 + <option value="ct">CT -- ChemDraw Connection Table format </option>
44 + <option value="dmol">DMOL -- DMol3 coordinates format</option>
45 + <option value="ent">ENT -- Protein Data Bank format</option>
46 + <option value="feat">FEAT -- Feature format</option>
47 + <option value="fh">FH -- Fenske-Hall Z-Matrix format [Write-only]</option>
48 + <option value="fix">FIX -- SMILES FIX format [Write-only]</option>
49 + <option value="fpt">FPT -- Fingerprint format [Write-only]</option>
50 + <option value="fract">FRACT -- Free Form Fractional format</option>
51 + <option value="fs">FS -- FastSearching</option>
52 + <option value="gamin">GAMIN -- GAMESS Input [Write-only]</option>
53 + <option value="gau">GAU -- Gaussian 98/03 Cartesian Input [Write-only]</option>
54 + <option value="gpr">GPR -- Ghemical format</option>
55 + <option value="gr96">GR96 -- GROMOS96 format [Write-only]</option>
56 + <option value="hin">HIN -- HyperChem HIN format</option>
57 + <option value="inp">INP -- GAMESS Input [Write-only]</option>
58 + <option value="jin">JIN -- Jaguar input format [Write-only]</option>
59 + <option value="mdl">MDL -- MDL MOL format</option>
60 + <option value="mmd">MMD -- MacroModel format</option>
61 + <option value="mmod">MMOD -- MacroModel format</option>
62 + <option value="mol">MOL -- MDL MOL format</option>
63 + <option value="mol2">MOL2 -- Sybyl Mol2 format</option>
64 + <option value="mopcrt">MOPCRT -- MOPAC Cartesian format</option>
65 + <option value="mpd">MPD -- Sybyl descriptor format [Write-only]</option>
66 + <option value="mpqcin">MPQCIN -- MPQC simplified input format [Write-only]</option>
67 + <option value="nw">NW -- NWChem input format [Write-only]</option>
68 + <option value="pcm">PCM -- PCModel Format</option>
69 + <option value="pdb">PDB -- Protein Data Bank format</option>
70 + <option value="pov">POV -- POV-Ray input format [Write-only]</option>
71 + <option value="pqs">PQS -- Parallel Quantum Solutions format</option>
72 + <option value="qcin">QCIN -- Q-Chem input format [Write-only]</option>
73 + <option value="report">REPORT -- Open Babel report format [Write-only]</option>
74 + <option value="rxn">RXN -- MDL RXN format</option>
75 + <option value="sd">SD -- MDL MOL format</option>
76 + <option value="sdf">SDF -- MDL MOL format</option>
77 + <option value="smi">SMI -- SMILES format</option>
78 + <option value="tmol">TMOL -- TurboMole Coordinate format</option>
79 + <option value="txyz">TXYZ -- Tinker MM2 format [Write-only]</option>
80 + <option value="unixyz">UNIXYZ -- UniChem XYZ format</option>
81 + <option value="vmol">VMOL -- ViewMol format</option>
82 + <option value="xed">XED -- XED format [Write-only]</option>
83 + <option value="xyz">XYZ -- XYZ cartesian coordinates format</option>
84 + <option value="yob">YOB -- YASARA.org YOB format</option>
85 + <option value="zin">ZIN -- ZINDO input format [Write-only]</option>
86 + </select>
87 +"""
88
89 def parseFormula(self, raw_formula):
90 """Parse formula and return the HTML formula
91 @@ -57,8 +137,8 @@ class CMLWriter:
92 xhtmlout.setOutput(self.fout)
93 xhtmlout.setTitle(title)
94 xhtmlout.addHead(' <script src="' + '../' * level + 'jmol/Jmol.js" type="text/javascript"></script>')
95 - xhtmlout.addHead(' <link rel="stylesheet" type="text/css" href="' + '../' * level + 'styles/style.css" />')
96 - xhtmlout.addHead(' <link rel="shortcut icon" href="' + '../' * level + 'images/favicon.ico" />')
97 + xhtmlout.addHead(' <link href="' + '../' * level + 'styles/style.css" rel="stylesheet" type="text/css" />')
98 + xhtmlout.addBody(self.scriptFormat)
99 xhtmlout.addBody(' <div id="header">')
100 xhtmlout.addBody(' <img src="'+ '../' * level + 'images/header.png" alt="Header image" />')
101 xhtmlout.addBody(' </div>')
102 @@ -152,6 +232,7 @@ class CMLWriter:
103 xhtmlout.addBody(' <li>' + self.l10n.translate('In CML format', lang) + '&nbsp;<a href="' + cml_file + '" title="CML"><img src="' + '../'*level + 'images/download.png" alt="Download cml file" /></a></li>')
104 if os.path.isfile(mol_file):
105 xhtmlout.addBody(' <li>' + self.l10n.translate('In MOL format', lang) + '&nbsp;<a href="' + mol_file + '" title="MOL"><img src="' + '../'*level + 'images/download.png" alt="Download mol file" /></a></li>')
106 + xhtmlout.addBody(' <li>' + self.l10n.translate('Other formats', lang) + '&nbsp;'+self.selection+'</li>')
107 xhtmlout.addBody(' </ul>')
108 xhtmlout.addBody(' </div>')
109 xhtmlout.addBody(' <div id="inchi">')
+30
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debian/patches/xml~l10n.xml less more
0 --- a/xml/l10n.xml
1 +++ b/xml/l10n.xml
2 @@ -91,6 +91,15 @@
3 <msg xml:lang="tw">In MOL format (MOL 化學檔案格式)</msg>
4 </msgset>
5 <msgset>
6 + <msgid>In XYZ format</msgid>
7 + <msg>In XYZ format</msg>
8 + <msg xml:lang="de">Im XYZ Format</msg>
9 + <msg xml:lang="es">En XYZ formato </msg>
10 + <msg xml:lang="fr">Au format XYZ</msg>
11 + <msg xml:lang="nl">In MDL-xyzfile-formaat</msg>
12 + <msg xml:lang="tw">In XYZ format (XYZ 化學檔案格式)</msg>
13 + </msgset>
14 + <msgset>
15 <msgid>InChI</msgid>
16 <msg>InChI</msg>
17 <msg xml:lang="de">InChI</msg>
18 @@ -190,6 +199,11 @@
19 <msg xml:lang="tw">Names 化學名</msg>
20 </msgset>
21 <msgset>
22 + <msgid>Other formats</msgid>
23 + <msg>Other formats</msg>
24 + <msg xml:lang="fr">Autres formats</msg>
25 + </msgset>
26 + <msgset>
27 <msgid>Previous</msgid>
28 <msg>Previous</msg>
29 <msg xml:lang="de">Vorgehend</msg>
+1
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debian/po/POTFILES.in less more
0 [type: gettext/rfc822deb] chemical-structures.templates
+32
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debian/po/cs.po less more
0 # Czech PO debconf template translation of chemical-structures.
1 # Copyright (C) 2010 Michal Simunek <michal.simunek@gmail.com>
2 # This file is distributed under the same license as the chemical-structures package.
3 # Michal Simunek <michal.simunek@gmail.com>, 2010 - 2011.
4 #
5 msgid ""
6 msgstr ""
7 "Project-Id-Version: chemical-structures 2.2.dfsg.0-3\n"
8 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
9 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
10 "PO-Revision-Date: 2011-05-28 12:09+0200\n"
11 "Last-Translator: Michal Simunek <michal.simunek@gmail.com>\n"
12 "Language-Team: Czech <debian-l10n-czech@lists.debian.org>\n"
13 "MIME-Version: 1.0\n"
14 "Content-Type: text/plain; charset=utf-8\n"
15 "Content-Transfer-Encoding: 8bit\n"
16
17 #. Type: boolean
18 #. Description
19 #: ../chemical-structures.templates:1001
20 msgid "Should apache2 be restarted?"
21 msgstr "Chcete nyní restartovat apache2?"
22
23 #. Type: boolean
24 #. Description
25 #: ../chemical-structures.templates:1001
26 msgid ""
27 "In order to activate the new configuration, apache2 has to be restarted. You "
28 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
29 msgstr ""
30 "Chcete-li nové nastavení aktivovat, je třeba restartovat apache2. Můžete jej "
31 "také restartovat ručně příkazem 'invoke-rc.d apache2 restart'."
+34
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debian/po/da.po less more
0 # Danish translation chemical-structures.
1 # Copyright (C) 2010 chemical-structures & nedenstående oversættere.
2 # This file is distributed under the same license as the chemical-structures package.
3 # Joe Hansen (joedalton2@yahoo.dk), 2010, 2011.
4 #
5 msgid ""
6 msgstr ""
7 "Project-Id-Version: chemical-structures\n"
8 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
9 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
10 "PO-Revision-Date: 2011-12-04 12:42+0000\n"
11 "Last-Translator: Joe Hansen <joedalton2@yahoo.dk>\n"
12 "Language-Team: Danish <dansk@dansk-gruppen.dk>\n"
13 "Language: da\n"
14 "MIME-Version: 1.0\n"
15 "Content-Type: text/plain; charset=UTF-8\n"
16 "Content-Transfer-Encoding: 8bit\n"
17
18 #. Type: boolean
19 #. Description
20 #: ../chemical-structures.templates:1001
21 msgid "Should apache2 be restarted?"
22 msgstr "Skal apache2 genstartes?"
23
24 #. Type: boolean
25 #. Description
26 #: ../chemical-structures.templates:1001
27 msgid ""
28 "In order to activate the new configuration, apache2 has to be restarted. You "
29 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
30 msgstr ""
31 "For at aktivere den nye konfiguration, skal apache2 genstartes. Du kan "
32 "også genstarte apache2 ved manuelt at køre »invoke-rc.d apache2 restart«."
33
+36
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debian/po/de.po less more
0 # German translation of debconf templates for the chemical-structures package.
1 # Copyright (C) 2006 Georges Khaznadar <georgesk@ofset.org>
2 # This file is distributed under the same license as the chemical-structures
3 # package.
4 # Martin E. Schauer <Martin.E.Schauer@gmx.de>, 2010, 2011.
5 #
6 msgid ""
7 msgstr ""
8 "Project-Id-Version: chemical-structures 2.2.dfsg.0-1\n"
9 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
10 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
11 "PO-Revision-Date: 2011-04-08 12:34+0200\n"
12 "Last-Translator: Martin Eberhard Schauer <Martin.E.Schauer@gmx.de>\n"
13 "Language-Team: German <debian-l10n-german@lists.debian.org>\n"
14 "MIME-Version: 1.0\n"
15 "Content-Type: text/plain; charset=UTF-8\n"
16 "Content-Transfer-Encoding: 8bit\n"
17 "X-Generator: KBabel 1.11.4\n"
18
19 #. Type: boolean
20 #. Description
21 #: ../chemical-structures.templates:1001
22 msgid "Should apache2 be restarted?"
23 msgstr "Soll apache2 jetzt neu gestartet werden?"
24
25 #. Type: boolean
26 #. Description
27 #: ../chemical-structures.templates:1001
28 msgid ""
29 "In order to activate the new configuration, apache2 has to be restarted. You "
30 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
31 msgstr ""
32 "Damit die neue Konfiguration aktiviert wird, muss apache2 neu gestartet "
33 "werden. Sie k??nnen apache2 auch manuell mit dem Befehl ??/etc/init.d/"
34 "apache2 restart?? neu starten."
35
+63
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debian/po/es.po less more
0 # chemical-structures po-debconf translation to Spanish
1 # Copyright (C) 2010 Software in the Public Interest
2 # This file is distributed under the same license as the chemical-structures package.
3 #
4 # Changes:
5 # - Initial translation
6 # Ricardo Fraile <rikr@esdebian.org>, 2010
7 # - Updated translation
8 # Javier Fernández-Sanguino <jfs@debian.org>, 2012
9 #
10 # Traductores, si no conocen el formato PO, merece la pena leer la
11 # documentación de gettext, especialmente las secciones dedicadas a este
12 # formato, por ejemplo ejecutando:
13 # info -n '(gettext)PO Files'
14 # info -n '(gettext)Header Entry'
15 #
16 # Equipo de traducción al español, por favor lean antes de traducir
17 # los siguientes documentos:
18 #
19 # - El proyecto de traducción de Debian al español
20 # http://www.debian.org/intl/spanish/
21 # especialmente las notas y normas de traducción en
22 # http://www.debian.org/intl/spanish/notas
23 #
24 # - La guía de traducción de po's de debconf:
25 # /usr/share/doc/po-debconf/README-trans
26 # o http://www.debian.org/intl/l10n/po-debconf/README-trans
27 #
28 msgid ""
29 msgstr ""
30 "Project-Id-Version: chemical-structures 2.1\n"
31 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
32 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
33 "PO-Revision-Date: 2012-01-03 03:03+0100\n"
34 "Last-Translator: Javier Fernández-Sanguino <jfs@debian.org>\n"
35 "Language-Team: Debian l10n Spanish <debian-l10n-spanish@lists.debian.org>\n"
36 "Language: es\n"
37 "MIME-Version: 1.0\n"
38 "Content-Type: text/plain; charset=UTF-8\n"
39 "Content-Transfer-Encoding: 8bit\n"
40 "X-POFile-SpellExtra: restart invoke rc\n"
41
42 #. Type: boolean
43 #. Description
44 #: ../chemical-structures.templates:1001
45 msgid "Should apache2 be restarted?"
46 msgstr "¿Debería reiniciarse apache2?"
47
48 #. Type: boolean
49 #. Description
50 #: ../chemical-structures.templates:1001
51 msgid ""
52 "In order to activate the new configuration, apache2 has to be restarted. You "
53 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
54 msgstr "Tiene que reiniciarse apache para activar la nueva configuración.También puede reiniciar apache2 manualmente ejecutando «invoke-rc.d apache2 restart»."
55
56 #~ msgid "Web server to reconfigure automatically:"
57 #~ msgstr "Servidor web para reconfigurar automáticamente:"
58
59 #~ msgid ""
60 #~ "Please choose the web server that should be automatically configured to "
61 #~ "run chemical-structures."
62 #~ msgstr "Elija el servidor web que se debe configurar automáticamente para ejecutar «chemical-structures»."
+56
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debian/po/fr.po less more
0 #
1 # Translators, if you are not familiar with the PO format, gettext
2 # documentation is worth reading, especially sections dedicated to
3 # this format, e.g. by running:
4 # info -n '(gettext)PO Files'
5 # info -n '(gettext)Header Entry'
6 # Some information specific to po-debconf are available at
7 # /usr/share/doc/po-debconf/README-trans
8 # or http://www.debian.org/intl/l10n/po-debconf/README-trans#
9 # Developers do not need to manually edit POT or PO files.
10 #
11 # Christian Perrier <bubulle@debian.org>, 2010.
12 msgid ""
13 msgstr ""
14 "Project-Id-Version: chemical-structures 2.0\n"
15 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
16 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
17 "PO-Revision-Date: 2010-11-06 23:13+0100\n"
18 "Last-Translator: Georges Khaznadar <georgesk@ofset.org>\n"
19 "Language-Team: French <debian-l10n-french@lists.debian.org>\n"
20 "MIME-Version: 1.0\n"
21 "Content-Type: text/plain; charset=UTF-8\n"
22 "Content-Transfer-Encoding: 8bit\n"
23 "Language: fr\n"
24 "Plural-Forms: nplurals=2; plural=(n > 1);\n"
25 "X-Generator: Lokalize 1.0\n"
26
27 #. Type: boolean
28 #. Description
29 #: ../chemical-structures.templates:1001
30 msgid "Should apache2 be restarted?"
31 msgstr "Faut-il redémarrer Apache 2 ?"
32
33 #. Type: boolean
34 #. Description
35 #: ../chemical-structures.templates:1001
36 msgid ""
37 "In order to activate the new configuration, apache2 has to be restarted. You "
38 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
39 msgstr ""
40 "Pour activer la nouvelle configuration, il faut redémarrer Apache 2. "
41 "Vous pouvez aussi redémarrer Apache 2 à la main en lançant « invoke-rc.d "
42 "apache2 restart »."
43
44 #~ msgid "Web server to reconfigure automatically:"
45 #~ msgstr "Serveur web à reconfigurer automatiquement :"
46
47 #~ msgid ""
48 #~ "Please choose the web server that should be automatically configured to "
49 #~ "run chemical-structures."
50 #~ msgstr ""
51 #~ "Veuillez choisir le serveur web à reconfigurer automatiquement pour "
52 #~ "exécuter chemical-structures."
53
54 #~ msgid "Chemical-structures supports Apache and Apache2."
55 #~ msgstr "Chemical-structures supporte Apache et Apache2."
+51
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debian/po/it.po less more
0 # ITALIAN TRANSLATION OF CHEMICAL-STRUCTURES' PO-DEBCONF FILE.
1 # COPYRIGHT (C) 2010 THE CHEMICAL-STRUCTURES' COPYRIGHT HOLDER
2 # This file is distributed under the same license as the chemical-structures package.
3 #
4 # Vincenzo Campanella <vinz65@gmail.com>, 2010.
5 #
6 msgid ""
7 msgstr ""
8 "Project-Id-Version: chemical-structures 2.1.dfsg.1-6\n"
9 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
10 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
11 "PO-Revision-Date: 2010-11-07 11:41+0100\n"
12 "Last-Translator: Vincenzo Campanella <vinz65@gmail.com>\n"
13 "Language-Team: Italian <tp@lists.linux.it>\n"
14 "MIME-Version: 1.0\n"
15 "Content-Type: text/plain; charset=UTF-8\n"
16 "Content-Transfer-Encoding: 8bit\n"
17
18 #. Type: boolean
19 #. Description
20 #: ../chemical-structures.templates:1001
21 #, fuzzy
22 #| msgid "Should ${webserver} be restarted?"
23 msgid "Should apache2 be restarted?"
24 msgstr "Riavviare ${webserver}?"
25
26 #. Type: boolean
27 #. Description
28 #: ../chemical-structures.templates:1001
29 #, fuzzy
30 #| msgid ""
31 #| "In order to activate the new configuration, ${webserver} has to be "
32 #| "restarted. You can also restart ${webserver} by manually executing "
33 #| "'invoke-rc.d ${webserver} restart'."
34 msgid ""
35 "In order to activate the new configuration, apache2 has to be restarted. You "
36 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
37 msgstr ""
38 "Affinché la nuova configurazione venga attivata è necessario riavviare "
39 "${webserver}. È anche possibile riavviare manualmente ${webserver} eseguendo "
40 "«invoke-rc.d ${webserver} restart»."
41
42 #~ msgid "Web server to reconfigure automatically:"
43 #~ msgstr "Server web da riconfigurare automaticamente:"
44
45 #~ msgid ""
46 #~ "Please choose the web server that should be automatically configured to "
47 #~ "run chemical-structures."
48 #~ msgstr ""
49 #~ "Scegliere il server web che deve essere configurato automaticamente per "
50 #~ "eseguire chemical-structures."
+32
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debian/po/ja.po less more
0 # Copyright (C) 2010 Nobuhiro Iwamatsu <iwamatsu@debian.org>
1 # This file is distributed under the 2-clause BSD license.
2 # Nobuhiro Iwamatsu <iwamatsu@debian.org>, 2010, 2012.
3 #
4 msgid ""
5 msgstr ""
6 "Project-Id-Version: chemical-structures_2.2.dfsg.0-10\n"
7 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
8 "POT-Creation-Date: 2013-07-01 14:28+0000\n"
9 "PO-Revision-Date: 2013-07-01 23:28+0900\n"
10 "Last-Translator: Nobuhiro Iwamatsu <iwamatsu@debian.org>\n"
11 "Language-Team: Japanese <debian-japanese@lists.debian.org>\n"
12 "Language: ja\n"
13 "MIME-Version: 1.0\n"
14 "Content-Type: text/plain; charset=utf-8\n"
15 "Content-Transfer-Encoding: 8bit\n"
16
17 #. Type: boolean
18 #. Description
19 #: ../chemical-structures.templates:1001
20 msgid "Should apache2 be restarted?"
21 msgstr "apache2 を再起動しますか?"
22
23 #. Type: boolean
24 #. Description
25 #: ../chemical-structures.templates:1001
26 msgid ""
27 "In order to activate the new configuration, apache2 has to be restarted. You "
28 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
29 msgstr ""
30 "新規の設定を有効にするには、apache2 を再起動する必要があります。'invoke-rc.d "
31 "apache2 restart' を手動で実行することで、apache2 を再起動することもできます。"
+35
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debian/po/nl.po less more
0 # Dutch translation of chemical-structures debconf templates.
1 # Copyright (C) YEAR THE PACKAGE'S COPYRIGHT HOLDER
2 # This file is distributed under the same license as the chemical-structures package.
3 # Frans Spiesschaert <Frans.Spiesschaert@yucom.be>, 2014.
4 #
5 msgid ""
6 msgstr ""
7 "Project-Id-Version: chemical-structures\n"
8 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
9 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
10 "PO-Revision-Date: 2014-10-08 21:58+0200\n"
11 "Last-Translator: Frans Spiesschaert <Frans.Spiesschaert@yucom.be>\n"
12 "Language-Team: Debian Dutch l10n Team <debian-l10n-dutch@lists.debian.org>\n"
13 "Language: nl\n"
14 "MIME-Version: 1.0\n"
15 "Content-Type: text/plain; charset=UTF-8\n"
16 "Content-Transfer-Encoding: 8bit\n"
17 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
18
19 #. Type: boolean
20 #. Description
21 #: ../chemical-structures.templates:1001
22 msgid "Should apache2 be restarted?"
23 msgstr "Moet apache2 opnieuw gestart worden?"
24
25 #. Type: boolean
26 #. Description
27 #: ../chemical-structures.templates:1001
28 msgid ""
29 "In order to activate the new configuration, apache2 has to be restarted. You "
30 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
31 msgstr ""
32 "Opdat de nieuwe instelling effectief zou worden, moet apache2 opnieuw "
33 "gestart worden. U kunt apache2 ook opnieuw starten door handmatig het "
34 "commando 'invoke-rc.d apache2 restart' uit te voeren."
+55
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debian/po/pt.po less more
0 # Translation of chemical-structures debconf messages to Portuguese
1 # Copyright (C) 2010 the chemical-structures's COPYRIGHT HOLDER
2 # This file is distributed under the same license as the chemical-structures package.
3 #
4 # Américo Monteiro <a_monteiro@netcabo.pt>, 2010.
5 # Américo Monteiro <a_monteiro@gmx.com>, 2011.
6 msgid ""
7 msgstr ""
8 "Project-Id-Version: chemical-structures 2.2.dfsg.0-1\n"
9 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
10 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
11 "PO-Revision-Date: 2011-03-29 22:54+0100\n"
12 "Last-Translator: Américo Monteiro <a_monteiro@gmx.com>\n"
13 "Language-Team: Portuguese <traduz@debianpt.org>\n"
14 "MIME-Version: 1.0\n"
15 "Content-Type: text/plain; charset=UTF-8\n"
16 "Content-Transfer-Encoding: 8bit\n"
17 "Language: pt\n"
18 "X-Generator: Lokalize 1.2\n"
19 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
20
21 #. Type: boolean
22 #. Description
23 #: ../chemical-structures.templates:1001
24 #| msgid "Should ${webserver} be restarted?"
25 msgid "Should apache2 be restarted?"
26 msgstr "Deve o apache2 ser reiniciado?"
27
28 #. Type: boolean
29 #. Description
30 #: ../chemical-structures.templates:1001
31 #| msgid ""
32 #| "In order to activate the new configuration, ${webserver} has to be "
33 #| "restarted. You can also restart ${webserver} by manually executing "
34 #| "'invoke-rc.d ${webserver} restart'."
35 msgid ""
36 "In order to activate the new configuration, apache2 has to be restarted. You "
37 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
38 msgstr ""
39 "De modo a activar a nova configuração, o apache2 tem que ser "
40 "reiniciado. Você também pode reiniciar o apache2 manualmente ao "
41 "executar 'invoke-rc.d apache2 restart'."
42
43 #~ msgid "Web server to reconfigure automatically:"
44 #~ msgstr "Servidor web para reconfigurar automaticamente:"
45
46 #~ msgid ""
47 #~ "Please choose the web server that should be automatically configured to "
48 #~ "run chemical-structures."
49 #~ msgstr ""
50 #~ "Por favor escolha o servidor web que deve ser configurado automaticamente "
51 #~ "para correr o chemical-structures."
52
53 #~ msgid "Chemical-structures supports Apache and Apache2."
54 #~ msgstr "O chemical-structures suporta Apache e Apache2."
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debian/po/pt_BR.po less more
0 # Debconf translation of chemical-structures.
1 # Copyright (C) 2011 chemical-structures'S COPYRIGHT HOLDER
2 # This file is distributed under the same license as the chemical-structures package.
3 # Marco Juliano e Silva <tratecni@yahoo.com.br>, 2011.
4 # Adriano Rafael Gomes <adrianorg@arg.eti.br>, 2014.
5 #
6 msgid ""
7 msgstr ""
8 "Project-Id-Version: chemical-structures\n"
9 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
10 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
11 "PO-Revision-Date: 2014-09-22 14:49-0300\n"
12 "Last-Translator: Adriano Rafael Gomes <adrianorg@arg.eti.br>\n"
13 "Language-Team: Brazilian Portuguese <debian-l10n-portuguese@lists.debian."
14 "org>\n"
15 "Language: pt_BR\n"
16 "MIME-Version: 1.0\n"
17 "Content-Type: text/plain; charset=UTF-8\n"
18 "Content-Transfer-Encoding: 8bit\n"
19
20 #. Type: boolean
21 #. Description
22 #: ../chemical-structures.templates:1001
23 msgid "Should apache2 be restarted?"
24 msgstr "O apache2 deve ser reiniciado?"
25
26 #. Type: boolean
27 #. Description
28 #: ../chemical-structures.templates:1001
29 msgid ""
30 "In order to activate the new configuration, apache2 has to be restarted. You "
31 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
32 msgstr ""
33 "Para ativar a nova configuração, o apache2 deve ser reiniciado. Você também "
34 "pode reiniciar o apache2 executando manualmente \"invoke-rc.d apache2 restart"
35 "\"."
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debian/po/ru.po less more
0 # Copyright (C) YEAR THE PACKAGE'S COPYRIGHT HOLDER
1 # This file is distributed under the same license as the chemical-structures package.
2 #
3 # Yuri Kozlov <yuray@komyakino.ru>, 2010, 2011.
4 msgid ""
5 msgstr ""
6 "Project-Id-Version: chemical-structures 2.2.dfsg.0-2\n"
7 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
8 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
9 "PO-Revision-Date: 2011-05-07 11:00+0400\n"
10 "Last-Translator: Yuri Kozlov <yuray@komyakino.ru>\n"
11 "Language-Team: Russian <debian-l10n-russian@lists.debian.org>\n"
12 "MIME-Version: 1.0\n"
13 "Content-Type: text/plain; charset=UTF-8\n"
14 "Content-Transfer-Encoding: 8bit\n"
15 "Language: Russian\n"
16 "X-Generator: Lokalize 1.0\n"
17 "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && "
18 "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n"
19
20 #. Type: boolean
21 #. Description
22 #: ../chemical-structures.templates:1001
23 #| msgid "Should ${webserver} be restarted?"
24 msgid "Should apache2 be restarted?"
25 msgstr "Перезапустить apache2?"
26
27 #. Type: boolean
28 #. Description
29 #: ../chemical-structures.templates:1001
30 #| msgid ""
31 #| "In order to activate the new configuration, ${webserver} has to be "
32 #| "restarted. You can also restart ${webserver} by manually executing "
33 #| "'invoke-rc.d ${webserver} restart'."
34 msgid ""
35 "In order to activate the new configuration, apache2 has to be restarted. You "
36 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
37 msgstr ""
38 "Чтобы новая конфигурация начала действовать, нужно "
39 "перезапустить apache2. Также вы можете перезапустить apache2 "
40 "вручную, выполнив команду «invoke-rc.d apache2 restart»."
41
42 #~ msgid "Web server to reconfigure automatically:"
43 #~ msgstr "Веб-сервер для автоматической перенастройки:"
44
45 #~ msgid ""
46 #~ "Please choose the web server that should be automatically configured to "
47 #~ "run chemical-structures."
48 #~ msgstr ""
49 #~ "Выберите веб-сервер, который нужно автоматически настроить для запуска "
50 #~ "chemical-structures."
+40
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debian/po/sv.po less more
0 # Translation of chemical-structures debconf template to Swedish
1 # Copyright (C) 2011 Martin Bagge <brother@bsnet.se>
2 # This file is distributed under the same license as the chemical-structures package.
3 #
4 # Martin Bagge <brother@bsnet.se>, 2011
5 msgid ""
6 msgstr ""
7 "Project-Id-Version: chemical-structures 2.1.dfsg.1-3\n"
8 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
9 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
10 "PO-Revision-Date: 2011-06-02 14:42+0100\n"
11 "Last-Translator: Martin Bagge / brother <brother@bsnet.se>\n"
12 "Language-Team: Swedish <debian-l10n-swedish@lists.debian.org>\n"
13 "MIME-Version: 1.0\n"
14 "Content-Type: text/plain; charset=utf-8\n"
15 "Content-Transfer-Encoding: 8bit\n"
16 "X-Poedit-Language: Swedish\n"
17 "X-Poedit-Country: Sweden\n"
18
19 #. Type: boolean
20 #. Description
21 #: ../chemical-structures.templates:1001
22 #| msgid "Should ${webserver} be restarted?"
23 msgid "Should apache2 be restarted?"
24 msgstr "Ska apache2 startas om?"
25
26 #. Type: boolean
27 #. Description
28 #: ../chemical-structures.templates:1001
29 #| msgid ""
30 #| "In order to activate the new configuration, ${webserver} has to be "
31 #| "restarted. You can also restart ${webserver} by manually executing "
32 #| "'invoke-rc.d ${webserver} restart'."
33 msgid ""
34 "In order to activate the new configuration, apache2 has to be restarted. You "
35 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
36 msgstr ""
37 "För att de nya inställningarna ska börja gälla måste apache2 startas om. Du "
38 "kan också starta om apache2 manuellt genom att exekvera \"invoke-rc.d "
39 "apache2 restart\"."
+31
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debian/po/templates.pot less more
0 # SOME DESCRIPTIVE TITLE.
1 # Copyright (C) YEAR THE PACKAGE'S COPYRIGHT HOLDER
2 # This file is distributed under the same license as the PACKAGE package.
3 # FIRST AUTHOR <EMAIL@ADDRESS>, YEAR.
4 #
5 #, fuzzy
6 msgid ""
7 msgstr ""
8 "Project-Id-Version: PACKAGE VERSION\n"
9 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
10 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
11 "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n"
12 "Last-Translator: FULL NAME <EMAIL@ADDRESS>\n"
13 "Language-Team: LANGUAGE <LL@li.org>\n"
14 "MIME-Version: 1.0\n"
15 "Content-Type: text/plain; charset=CHARSET\n"
16 "Content-Transfer-Encoding: 8bit\n"
17
18 #. Type: boolean
19 #. Description
20 #: ../chemical-structures.templates:1001
21 msgid "Should apache2 be restarted?"
22 msgstr ""
23
24 #. Type: boolean
25 #. Description
26 #: ../chemical-structures.templates:1001
27 msgid ""
28 "In order to activate the new configuration, apache2 has to be restarted. You "
29 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
30 msgstr ""
+53
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debian/po/vi.po less more
0 # Vietnamese Debconf translation for Chemical Structures.
1 # Copyright © 2010 Free Software Foundation, Inc.
2 # This file is distributed under the same license as the chemical-structures package.
3 # Clytie Siddall <clytie@riverland.net.au>, 2010.
4 #
5 msgid ""
6 msgstr ""
7 "Project-Id-Version: chemical-structures 2.1.dfsg.1-6\n"
8 "Report-Msgid-Bugs-To: chemical-structures@packages.debian.org\n"
9 "POT-Creation-Date: 2011-03-26 12:36+0100\n"
10 "PO-Revision-Date: 2010-11-07 17:07+1030\n"
11 "Last-Translator: Clytie Siddall <clytie@riverland.net.au>\n"
12 "Language-Team: Vietnamese <vi-VN@googlegroups.com>\n"
13 "MIME-Version: 1.0\n"
14 "Content-Type: text/plain; charset=UTF-8\n"
15 "Content-Transfer-Encoding: 8bit\n"
16 "Language: vi\n"
17 "Plural-Forms: nplurals=1; plural=0;\n"
18 "X-Generator: LocFactoryEditor 1.8\n"
19
20 #. Type: boolean
21 #. Description
22 #: ../chemical-structures.templates:1001
23 #, fuzzy
24 #| msgid "Should ${webserver} be restarted?"
25 msgid "Should apache2 be restarted?"
26 msgstr "Có nên khởi chạy lại ${webserver} không?"
27
28 #. Type: boolean
29 #. Description
30 #: ../chemical-structures.templates:1001
31 #, fuzzy
32 #| msgid ""
33 #| "In order to activate the new configuration, ${webserver} has to be "
34 #| "restarted. You can also restart ${webserver} by manually executing "
35 #| "'invoke-rc.d ${webserver} restart'."
36 msgid ""
37 "In order to activate the new configuration, apache2 has to be restarted. You "
38 "can also restart apache2 by manually executing 'invoke-rc.d apache2 restart'."
39 msgstr ""
40 "Để kích hoạt cấu hình mới thì cần phải khởi chạy lại trình phục vụ Web "
41 "${webserver}. Bạn cũng có thể khởi chạy lại ${webserver} bằng cách thực hiện "
42 "bằng tay câu lệnh « invoke-rc.d ${webserver} restart »."
43
44 #~ msgid "Web server to reconfigure automatically:"
45 #~ msgstr "Trình phục vụ Web cần tự động cấu hình lại:"
46
47 #~ msgid ""
48 #~ "Please choose the web server that should be automatically configured to "
49 #~ "run chemical-structures."
50 #~ msgstr ""
51 #~ "Hãy chọn trình phục vụ Web nên được tự động cấu hình để chạy chemical-"
52 #~ "structures."
+41
-0
debian/rules less more
0 #!/usr/bin/make -f
1 # -*- makefile -*-
2 # Sample debian/rules that uses debhelper.
3 # This file was originally written by Joey Hess and Craig Small.
4 # As a special exception, when this file is copied by dh-make into a
5 # dh-make output file, you may use that output file without restriction.
6 # This special exception was added by Craig Small in version 0.37 of dh-make.
7
8 # Uncomment this to turn on verbose mode.
9 #export DH_VERBOSE=1
10
11 DESTDIR = $(CURDIR)/debian/chemical-structures
12 DB2MAN = /usr/share/sgml/docbook/stylesheet/xsl/nwalsh/manpages/docbook.xsl
13 XP = xsltproc --nonet
14
15 %:
16 dh $@
17
18 override_dh_auto_clean:
19 find . -name *.pyc | xargs rm -f
20 rm -rf build
21 dh_auto_clean
22
23 debian/chemstruc.1: debian/manpage.xml
24 cd debian; $(XP) $(DB2MAN) manpage.xml
25
26 override_dh_auto_configure:
27 mkdir -p build
28 cd build; cmake -DCMAKE_INSTALL_PREFIX=$(DESTDIR)/usr ..
29
30 override_dh_auto_build: debian/chemstruc.1
31 ## do nothing since install would run the build again.
32 ## cd build; make
33
34 override_dh_auto_install:
35 cd build; make install
36 install -m 755 convert.cgi $(DESTDIR)/usr/share/chemical-structures
37 install -m 755 chemstruc $(DESTDIR)/usr/bin
38 install -m 644 apache.conf $(DESTDIR)/etc/apache2/conf-available/chemical-structures.conf
39 rm -f $(DESTDIR)/usr/share/chemical-structures/jmol/LICENSE.txt
40
+1
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debian/source/format less more
0 3.0 (quilt)