debian/0000755000000000000000000000000011771711242007171 5ustar debian/watch0000644000000000000000000000016411734662750010233 0ustar # watch control file for uscan version=3 http://www.xcrysden.org/download/xcrysden-([\d.]+)\.tar\.gz debian uupdate debian/upstream0000644000000000000000000000125311765715172010766 0ustar Name: XCrySDen Homepage: http://www.xcrysden.org Contact: tone.kokalj@ijs.si FAQ: http://www.xcrysden.org/doc/FAQ.html Gallery: http://www.xcrysden.org/Pictures.html Reference: - Author: Anton Kokalj Title: "Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale" Journal: Comp. Mater. Sci. Year: 2003 Volume: 28 Number: 2 Pages: 155-168 URL: http://www.sciencedirect.com/science/article/pii/S0927025603001046 eprint: http://144.206.159.178/FT/204/198771/5068767.pdf DOI: 10.1016/S0927-0256(03)00104-6 Registration: http://www.xcrysden.org/Register.html Screenshots: http://www.xcrysden.org/Screenshots.html debian/rules0000755000000000000000000000144111771705537010263 0ustar #!/usr/bin/make -f # -*- makefile -*- # Sample debian/rules that uses debhelper. # This file was originally written by Joey Hess and Craig Small. # As a special exception, when this file is copied by dh-make into a # dh-make output file, you may use that output file without restriction. # This special exception was added by Craig Small in version 0.37 of dh-make. # Uncomment this to turn on verbose mode. #export DH_VERBOSE=1 export CPPFLAGS = $(shell dpkg-buildflags --get CPPFLAGS) export CFLAGS = $(shell dpkg-buildflags --get CFLAGS) export FFLAGS = $(shell dpkg-buildflags --get FFLAGS) export LDFLAGS = $(shell dpkg-buildflags --get LDFLAGS) -Wl,--as-needed %: dh $@ override_dh_auto_build: dh_auto_build -- xcrysden override_dh_install: dh_install --list-missing .NOTPARALLEL: debian/xcrysden.install0000644000000000000000000000020311727613566012426 0ustar usr/bin usr/lib/xcrysden usr/share/man debian/xcrysden.desktop usr/share/applications/ images/xcrysden.xpm usr/share/pixmaps/ debian/xcrysden.desktop0000644000000000000000000000055211727613566012440 0ustar [Desktop Entry] Version=1.0 Name=XCrySDen Comment=Crystalline and Molecular Structure Visualisation Program Exec=xcrysden Icon=/usr/share/xcrysden/images/xcrysden.png Terminal=false Type=Application Categories=Science;Chemistry;Physics;Education; MimeType=chemical/x-xyz;chemical/x-pdb;chemical/x-gaussian-input;chemical/x-gaussian-log;chemical/x-gaussian-cube; debian/copyright0000644000000000000000000001120111771705443011125 0ustar Format: http://dep.debian.net/deps/dep5 Upstream-Name: XCrySDen Upstream-Contact: Anton Kokalj Source: http://www.xcrysden.org/ Files: * Copyright: 1996-2012 Anton Kokalj Comment: Some parts of C/polygonise.c C/cryClip.c C/anaglyph.h are based-on/derived-from routines of Paul Bourke (http://paulbourke.net) and are used with his permission. License: GPL-2.0+ Files: C/gl2ps.* Copyright: 1999-2006 Christophe Geuzaine License: GPL-2.0+ Files: debian/* Copyright: 2012 Anton Kokalj License: GPL-2.0+ License: GPL-2.0+ This package is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. . This package is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. . You should have received a copy of the GNU General Public License along with this program. If not, see . On Debian systems, the complete text of the GNU General Public License version 2 can be found in "/usr/share/common-licenses/GPL-2". Files: C/togl.* Copyright: 1996-2002 Brian Paul and Ben Bederson License: other The authors hereby grant permission to use, copy, modify, distribute, and license this software and its documentation for any purpose, provided that existing copyright notices are retained in all copies and that this notice is included verbatim in any distributions. No written agreement, license, or royalty fee is required for any of the authorized uses. Modifications to this software may be copyrighted by their authors and need not follow the licensing terms described here, provided that the new terms are clearly indicated on the first page of each file where they apply. . IN NO EVENT SHALL THE AUTHORS OR DISTRIBUTORS BE LIABLE TO ANY PARTY FOR DIRECT, INDIRECT, SPECIAL, INCIDENTAL, OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE USE OF THIS SOFTWARE, ITS DOCUMENTATION, OR ANY DERIVATIVES THEREOF, EVEN IF THE AUTHORS HAVE BEEN ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. . THE AUTHORS AND DISTRIBUTORS SPECIFICALLY DISCLAIM ANY WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND NON-INFRINGEMENT. THIS SOFTWARE IS PROVIDED ON AN "AS IS" BASIS, AND THE AUTHORS AND DISTRIBUTORS HAVE NO OBLIGATION TO PROVIDE MAINTENANCE, SUPPORT, UPDATES, ENHANCEMENTS, OR MODIFICATIONS. Files: C/sgi* Comment: Some parts of these files are based-on/derived-from libaux routines of OpenGL Programming Guide. Copyright: 1993 Silicon Graphics, Inc. License: other ALL RIGHTS RESERVED Permission to use, copy, modify, and distribute this software for any purpose and without fee is hereby granted, provided that the above copyright notice appear in all copies and that both the copyright notice and this permission notice appear in supporting documentation, and that the name of Silicon Graphics, Inc. not be used in advertising or publicity pertaining to distribution of the software without specific, written prior permission. . THE MATERIAL EMBODIED ON THIS SOFTWARE IS PROVIDED TO YOU "AS-IS" AND WITHOUT WARRANTY OF ANY KIND, EXPRESS, IMPLIED OR OTHERWISE, INCLUDING WITHOUT LIMITATION, ANY WARRANTY OF MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE. IN NO EVENT SHALL SILICON GRAPHICS, INC. BE LIABLE TO YOU OR ANYONE ELSE FOR ANY DIRECT, SPECIAL, INCIDENTAL, INDIRECT OR CONSEQUENTIAL DAMAGES OF ANY KIND, OR ANY DAMAGES WHATSOEVER, INCLUDING WITHOUT LIMITATION, LOSS OF PROFIT, LOSS OF USE, SAVINGS OR REVENUE, OR THE CLAIMS OF THIRD PARTIES, WHETHER OR NOT SILICON GRAPHICS, INC. HAS BEEN ADVISED OF THE POSSIBILITY OF SUCH LOSS, HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, ARISING OUT OF OR IN CONNECTION WITH THE POSSESSION, USE OR PERFORMANCE OF THIS SOFTWARE. . US Government Users Restricted Rights Use, duplication, or disclosure by the Government is subject to restrictions set forth in FAR 52.227.19(c)(2) or subparagraph (c)(1)(ii) of the Rights in Technical Data and Computer Software clause at DFARS 252.227-7013 and/or in similar or successor clauses in the FAR or the DOD or NASA FAR Supplement. Unpublished-- rights reserved under the copyright laws of the United States. Contractor/manufacturer is Silicon Graphics, Inc., 2011 N. Shoreline Blvd., Mountain View, CA 94039-7311. . OpenGL(TM) is a trademark of Silicon Graphics, Inc. debian/source/0000755000000000000000000000000011771711242010471 5ustar debian/source/format0000644000000000000000000000001411727613566011712 0ustar 3.0 (quilt) debian/compat0000644000000000000000000000000211727613566010402 0ustar 8 debian/control0000644000000000000000000000341011771711201010565 0ustar Source: xcrysden Section: science Priority: optional Maintainer: Debichem Team Uploaders: Anton Kokalj , Michael Banck , Daniel Leidert Build-Depends: debhelper (>> 8), gfortran, libfftw3-dev, libgcc1, libgl1-mesa-dev, libgl2ps-dev, libglu1-mesa-dev, libmeschach-dev, libtogl-dev, libx11-dev, libxmu-dev, libxmu-headers, tcl8.5-dev, tk8.5-dev Standards-Version: 3.9.3 Homepage: http://www.xcrysden.org/ DM-Upload-Allowed: yes Package: xcrysden Architecture: any Depends: bwidget, gawk, imagemagick, openbabel, xcrysden-data, ${misc:Depends}, ${shlibs:Depends} Description: Crystalline and Molecular Structure Visualizer XCrySDen is a crystalline and molecular structure visualisation program, which aims at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It can run on most UNIX platforms, without any special hardware requirements. Package: xcrysden-data Architecture: all Depends: ${misc:Depends} Description: Crystalline and Molecular Structure Visualizer (Data Files) XCrySDen is a crystalline and molecular structure visualisation program, which aims at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It can run on most UNIX platforms, without any special hardware requirements. . This package contains the architecture independent files. debian/xcrysden.menu0000644000000000000000000000036011727613566011730 0ustar ?package(xcrysden):\ needs="X11"\ section="Applications/Science/Chemistry"\ title="XCrySDen"\ longtitle="Crystalline and Molecular Structure Visualisation Program"\ icon="/usr/share/pixmaps/xcrysden.xpm"\ command="/usr/bin/xcrysden" debian/patches/0000755000000000000000000000000011771711242010620 5ustar debian/patches/series0000644000000000000000000000007111727613566012046 0ustar fix-xcrysden-install.patch Make.sys.patch wrappers.patch debian/patches/wrappers.patch0000644000000000000000000000057011727613566013521 0ustar * fixing the installation directory to /usr --- a/sys_utils/wrappers.sh +++ b/sys_utils/wrappers.sh @@ -5,8 +5,8 @@ #!/bin/sh -f # simple wrapper to run $cmd -XCRYSDEN_TOPDIR=$prefix/share/$xcrysden -XCRYSDEN_LIB_BINDIR=$prefix/lib/$xcrysden +XCRYSDEN_TOPDIR=/usr/share/xcrysden +XCRYSDEN_LIB_BINDIR=/usr/lib/xcrysden export XCRYSDEN_TOPDIR export XCRYSDEN_LIB_BINDIR debian/patches/Make.sys.patch0000644000000000000000000002022711771711201013331 0ustar * creating usable&needed Make.sys file for compilation --- /dev/null +++ b/Make.sys @@ -0,0 +1,69 @@ +######################################################################### +# +# System-dependent definitions suitable for compiling xcrysden using +# a system shared libraries (needs Tcl/Tk/GL/GLU/FFTW/Meschach +# libraries) +# +######################################################################## + + +#------------------------------------------------------------------------ +# if you have a GNU make it is better to set the MAKE variable to point +# to gnu make +#------------------------------------------------------------------------ +MAKE = make + + +#------------------------------------------------------------------------ +# compilers & flags +#------------------------------------------------------------------------ +CPPFLAGS ?= +CFLAGS ?= +LDFLAGS ?= +CFLAGS += $(CPPFLAGS) +CFLAGS += -ffast-math -funroll-loops -fPIC -DUSE_FONTS -pedantic -Wall +CFLAGS += $(LDFLAGS) +CC = gcc +#LDLIB = -ldl +MATH = -lm + +FFLAGS ?= -O2 +FFLAGS += $(LDFLAGS) +FC = gfortran + +#------------------------------------------- +#debug options +#CFLAGS = -g +#------------------------------------------- + + +#------------------------------------------------------------------------ +# X-libraries & include files +#------------------------------------------------------------------------ +X_LIB = -lXmu -lX11 +X_INCDIR = + +#------------------------------------------------------------------------ +# +# Libraries +# + +TCL_LIB = -ltcl8.5 +TK_LIB = -ltk8.5 +GLU_LIB = -lGLU +GL_LIB = -lGL +FFTW3_LIB = -lfftw3 +MESCHACH_LIB = -lmeschach +EXT_LIB = -lgl2ps -lTogl + +# +# Include directories +# + +TCL_INCDIR = -I/usr/include/tcl8.5 +TK_INCDIR = +GL_INCDIR = +FFTW3_INCDIR = +MESCHACH_INCDIR = + +#------------------------------------------------------------------------ --- a/C/Makefile +++ b/C/Makefile @@ -29,7 +29,7 @@ xcrys: $(XC_OBJS) $(EXTERNAL_OBJS) $(CC) $(CFLAGS) $(XC_OBJS) $(EXTERNAL_OBJS) \ - -o xcrys $(FFTW3_LIB) $(MESCHACH_LIB) $(TK_LIB) $(TCL_LIB) $(GLU_LIB) $(GL_LIB) $(X_LIB) $(MATH) $(LDLIB) + -o xcrys $(FFTW3_LIB) $(MESCHACH_LIB) $(TK_LIB) $(TCL_LIB) $(GLU_LIB) $(GL_LIB) $(X_LIB) $(MATH) $(LDLIB) $(EXT_LIB) xctclsh: xcTclsh.o $(CC) $(CFLAGS) xcTclsh.o -o xctclsh $(TCL_LIB) $(MATH) $(LDLIB) --- a/C/make-objects +++ b/C/make-objects @@ -1,6 +1,5 @@ EXTERNAL_OBJS = \ togl.o \ - gl2ps.o \ sgiRasterFont.o \ sgiAux.o --- a/C/cryDispFunc.c +++ b/C/cryDispFunc.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/cryDispFuncMultiFS.c +++ b/C/cryDispFuncMultiFS.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/cryNewContext.c +++ b/C/cryNewContext.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include "struct.h" --- a/C/crySetProj.c +++ b/C/crySetProj.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include "struct.h" #include "xcfunc.h" --- a/C/crySurf.c +++ b/C/crySurf.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/crySurfArgs.c +++ b/C/crySurfArgs.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/cryTogl.c +++ b/C/cryTogl.c @@ -17,7 +17,7 @@ */ -#include "togl.h" +#include #include "struct.h" #include "xcfunc.h" --- a/C/cryTransform.c +++ b/C/cryTransform.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include "struct.h" --- a/C/fog.c +++ b/C/fog.c @@ -17,7 +17,7 @@ */ #define XC_CPP_NO_STDIO -#include "togl.h" +#include #include "struct.h" #include "xcfunc.h" --- a/C/fs.c +++ b/C/fs.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include "struct.h" --- a/C/gl2psPrintTogl.c +++ b/C/gl2psPrintTogl.c @@ -18,8 +18,8 @@ #include #include -#include "togl.h" -#include "gl2ps.h" +#include +#include #include "xcfunc.h" extern void (*xcDisplay)(struct Togl *togl); --- a/C/loadValues.c +++ b/C/loadValues.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include "struct.h" --- a/C/ppmPrintTogl.c +++ b/C/ppmPrintTogl.c @@ -18,7 +18,7 @@ #include #include #include -#include "togl.h" +#include #include "struct.h" #include "xcfunc.h" --- a/C/realTimeMovie.c +++ b/C/realTimeMovie.c @@ -18,7 +18,7 @@ #include #include #include -#include "togl.h" +#include #include "struct.h" #include "xcfunc.h" #include "memory.h" --- a/C/remakestr.c +++ b/C/remakestr.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include "struct.h" --- a/C/togl.c +++ b/C/togl.c @@ -13,7 +13,7 @@ * Currently we support X11, Win32 and Macintosh only */ -#include "togl.h" +#include /* Use TCL_STUPID to cast (const char *) to (char *) where the Tcl function * prototype argument should really be const */ --- a/C/xcAppInit.c +++ b/C/xcAppInit.c @@ -20,7 +20,7 @@ */ -#include "togl.h" +#include #include #include /*#include */ --- a/C/xcAtomAdd.c +++ b/C/xcAtomAdd.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcColorScheme.c +++ b/C/xcColorScheme.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcDisplayFunc.c +++ b/C/xcDisplayFunc.c @@ -20,7 +20,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcDisplayFunc2.c +++ b/C/xcDisplayFunc2.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include "struct.h" --- a/C/xcFont.c +++ b/C/xcFont.c @@ -40,7 +40,7 @@ # include #endif -#include "togl.h" +#include #ifndef WIN32 # include --- a/C/xcForces.c +++ b/C/xcForces.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcGLparam.c +++ b/C/xcGLparam.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include "struct.h" --- a/C/xcHBonds.c +++ b/C/xcHBonds.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcIsoDataGrid.c +++ b/C/xcIsoDataGrid.c @@ -16,7 +16,7 @@ */ -/* #include "togl.h" */ +/* #include */ #include #include #include --- a/C/xcIsoSpaceSel.c +++ b/C/xcIsoSpaceSel.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcIsoSurf.c +++ b/C/xcIsoSurf.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcMolSurf.c +++ b/C/xcMolSurf.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcSelect.c +++ b/C/xcSelect.c @@ -17,7 +17,7 @@ */ extern void xcdebug(const char *text); -#include "togl.h" +#include #include #include #include --- a/C/xcSuperCell.c +++ b/C/xcSuperCell.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcTogl.c +++ b/C/xcTogl.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include --- a/C/xcWigner.c +++ b/C/xcWigner.c @@ -16,7 +16,7 @@ */ -#include "togl.h" +#include #include #include #include debian/patches/fix-xcrysden-install.patch0000644000000000000000000000144311727613566015745 0ustar * fixing DESTDIR issue and xcrysden directory name in Makefile --- a/Makefile +++ b/Makefile @@ -17,7 +17,7 @@ # some varibales ... all: tcl tk mesa fftw meschach xcrysden -xcrysden: usage bwidget bindir src-C src-F src-Tcl +xcrysden: usage bindir src-C src-F src-Tcl usage: $(TOPDIR)/docs/xcrysden.1 man $(TOPDIR)/docs/xcrysden.1 | awk 'BEGIN {lprint=0; print "## do not edit changes will be lost (file automatically generated)\n"; } /SYNOPSIS/ { lprint=1; } /SEE ALSO/ { lprint=0; } /a*/ { if (lprint) print; }' > usage @@ -226,9 +226,9 @@ # # ------------------------------------------------------------------------ -prefix ?= /usr/local +prefix ?= $(DESTDIR)/usr version := $(shell cat version) -xcrysden = xcrysden-$(version) +xcrysden = xcrysden install: xcrysden @echo debian/xcrysden-data.install0000644000000000000000000000002311727613566013335 0ustar usr/share/xcrysden debian/docs0000644000000000000000000000003311727613566010053 0ustar NEWS README THANKS AUTHORS debian/changelog0000644000000000000000000000151211771711227011045 0ustar xcrysden (1.5.53-1) unstable; urgency=low * New upstream release. * debian/control (Uploaders): Added myself. (Build-Depends): Added libtogl-dev and libgl2ps-dev. * debian/copyright: Fixed format. * debian/rules: Enable hardening and list missing files. * debian/upstream: Added. * debian/watch: Fixed. * debian/patches/Make.sys.patch: Adjusted. - Make sure we can choose our own build flags. Use libtogl-dev and libgl2ps-dev instead of the shipped copies. -- Daniel Leidert Mon, 25 Jun 2012 00:20:00 +0200 xcrysden (1.5.52-1) unstable; urgency=low * Initial release (Closes: #486545). * This is my first Debian package. * Adjusted the Makefile to fix $(DESTDIR) problems and fixing the wrapper scripts. -- Anton Kokalj Sat, 10 Mar 2012 16:28:25 +0100