Commit 180cf41f authored by Daniel Leidert's avatar Daniel Leidert

New upstream version 0.14.17

parent 3e465f7f
#utf-8 text
Maintainer
Jean Bréfort <jean dot brefort at normalesup dot org>
Contributors
Daniel Leidert <daniel.leidert@wgdd.de>
Jordan Mantha <jordan at laserjock dot us>
Nestor Diaz: graphics (icon, logo)
Serge Moreau: templates
Julian Sikorski: templates
Translators
Grégoire Jean-François Demets (Brasilian)
Ben Luo (Chinese)
Christian Neumair (German)
Christian Lohmaier (German)
Daniel Leidert (German)
Costantino Ceoldo (Italian)
Michał Sałaban (Polish)
Nikodem Kuznik (Polish)
Julian Sikorski (Polish)
Valek Filippov (Russian)
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SUBDIRS = po database ui pixmaps libs plugins programs mozilla-plugin \
openbabel gnumeric goffice templates themes samples tests \
dtds docs schemas
EXTRA_DIST= \
$(mime_in_files) \
gnome-doc-utils.make \
intltool-extract.in \
intltool-update.in \
intltool-merge.in \
COPYING-DOCS
CLEANFILES = \
gchemutils.xml
DISTCLEANFILES = \
intltool-extract \
intltool-update \
intltool-merge \
doltcompile
MAINTAINERCLEANFILES = \
aclocal.m4 \
compile \
config.guess \
config.sub \
config.h.in \
configure \
depcomp \
gnome-doc-utils.make \
install-sh \
intltool-extract.in \
intltool-update.in \
intltool-merge.in \
ltmain.sh \
missing \
mkinstalldirs \
Makefile.in
DISTCHECK_CONFIGURE_FLAGS = \
--disable-scrollkeeper \
--disable-schemas-install \
--disable-update-databases \
--with-mozilla-libdir=\$${libdir}/mozilla \
--with-goffice-plugins-dir=\$${libdir}/goffice \
--with-gnumeric-plugins-dir=\$${libdir}/gnumeric
mime_in_files = gchemutils.xml.in
mimedir = $(datadir)/mime/packages
mime_DATA = $(mime_in_files:.xml.in=.xml)
@INTLTOOL_XML_RULE@
ACLOCAL_AMFLAGS = -I m4
install-data-hook:
if WITH_UPDATE_MIME
$(UPDATE_MIME_DATABASE) $(datadir)/mime
endif
if WITH_UPDATE_DESKTOP
$(UPDATE_DESKTOP_DATABASE) $(datadir)/applications
endif #WITH_UPDATE_DESKTOP
uninstall-hook:
if WITH_UPDATE_MIME
$(UPDATE_MIME_DATABASE) $(datadir)/mime
endif #WITH_UPDATE_MIME
if WITH_UPDATE_DESKTOP
$(UPDATE_DESKTOP_DATABASE) $(datadir)/applications
endif #WITH_UPDATE_DESKTOP
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The Gnome chemistry Utils are a collection of libraries and programs for the
GNOME desktop which migh be useful for chemists and science students.
Copyright 1999-2012 Jean Bréfort jean.brefort@normalesup.org, All Rights Reserved.
http://jean.brefort.free.fr
This software is copyrighted under the GNU GPL version 3 or later. Please see
the file COPYING, or, to obtain a copy of the GNU GPL, please visit:
http://www.gnu.org
An exception is the openbabel directory which is copyrighted under the GNU GPL
version 2 or later, because of the OpenBabel license.
See the file AUTHORS for a list of who has contributed to the application.
Introduction
--------------------------------------------------------------------------------
The latest version of the software can be found at:
http://savannah.nongnu.org/download/gchemutils/
See the file ChangeLog for more information about this software.
What is needed to install the Gnome Chemistry Utils:
GOffice version 0.10.x.
All dependencies of these libraries.
These libraries are available from ftp://ftp.gnome.org or one of its mirrors.
BODR (the Blue Obelisk Data Repository) version 5 or later.
(http://bodr.sourceforge.net).
The Chemical Mime Data version 0.1.94 or later
(http://chemical-mime.sourceforge.net).
OpenBabel-2 version 2.1.0 or later (http://openbabel.sourceforge.net).
Further man, xmllint, xsltproc and maybe a local docbook-xsl installation
are required for manpage building. We deliver ready-to-use manpages, so you
don't need to build them yourself. But if you e.g. change something in their
XML source, you need xsltproc to update the manpages too.
Versions numbering:
Odd minor versions are development version. To see what remains to be done
before a stable version can be released read the TODO file. Help is of course
welcomed.
Five widgets are present in this version of the software:
* GcukPeriodic is a periodic table of the elements.
* GcuComboPeriodic is a combo button with a drop down
periodic table.
* GcuCrystalViewer is a crystal structure viewer.
* GcuChem3DViewer is a 3D molecular structure viewer.
* GcuSpectrumViewer is a spectrum viewer.
Simple samples of their use are provided in the test programs
Six programs are avaible:
* A 2D chemical editor (GChemPaint).
* A 3D molecular structure viewer (GChem3Viewer).
* A Crystal structure viewer (GCrystal).
* A Chemical calculator (GChemCalc).
* A Spectrum viewer (GSpectrum).
* A periodic table of the elements application (GChemTable).
Three plugins for external programs are included:
* A GOffice plugin allows embedding GChemPaint supported files ans 3D structures
in programs supporting the GOffice component framework.
* A Gnumeric plugin provides a molarmass function for the spreadsheet.
* A Mozilla plugin allows embedding 2D, 3D and crystal structures as well as
spectra in web pages.
* Periodic table:
* add more data using bodr (?).
* add crystal structures (? needs reliable crystal structures in bodr).
* Calculator:
* enhance ambiguous abbreviations support (0.14?).
* a lot of code cleaning (0.14?).
* 3d viewer:
* allow selection of atoms and or bonds, and display of lengths and angles (0.14?).
* add a preferences dialog.
* accept several molecules from the same file.
* Mozilla plugin:
* implement printing (?).
* add a contextual dropdown menu (?).
* support for options when displaying a spectrum (?).
* Gnome Crystal:
* enhance cif and cml support (add more fields in document properties) (?).
* really add bond support, not through lines) (?).
* accept several crystal description from the same file.
* GChemPaint:
* enhance copy-and-paste support for OpenOffice.org (?).
* New tools:
- delocalized bonds (?),
- week interactions (e.g. H-bonds) (?),
- curved reaction arrows and Tollman's loops (?),
- cluster bonds (as in boranes) (?),
- electron vacancies (?).
* Multi-steps reactions (0.14?).
* Scriptability (?).
* Enhance fragments (0.14+).
* Change cursor according to situation (?).
* Allow associating several objects with reaction arrows (0.14?).
* Allow various superscripts for brackets (charge, transition state,...)
* Goffice component:
* add support for cml files (?).
* Spectrum viewer:
* support inclusion of zoomed partials.
* import varian files (0.14?)
* GCCV Library:
* add new items as needed.
* GCU Library:
* provide clipboard support at the Application level (?).
* OpenBabel wrapper:
* write a streambuf class wrapping the socket.
* Other:
* Make file operation asynchroneous (especially for remote file systems).
* Update documentation (always).
* More code cleaning (always).
* Remove all bugs ;-)
dnl Copying and distribution of this file, with or without modification,
dnl are permitted in any medium without royalty provided the copyright
dnl notice and this notice are preserved.
dnl @synopsis GCU_PROG_XMLLINT
dnl
dnl @summary Determine if we can use the xmllint program
dnl
dnl This is a simple macro to define the location of xmllint (which can
dnl be overridden by the user) and special options to use.
dnl
dnl @category InstalledPackages
dnl @author Daniel Leidert <daniel.leidert@wgdd.de>
dnl @version 2006-09-24
dnl @license AllPermissive
AC_DEFUN([GCU_PROG_XMLLINT],[
AC_ARG_VAR(
[XMLLINT],
[The `xmllint' binary with path. Use it to define or override the location of `xmllint'.]
)
AC_PATH_PROG([XMLLINT], [xmllint])
if test -z $XMLLINT ; then
AC_MSG_WARN([`xmllint' was not found. We cannot validate the XML sources.]) ;
else
AC_MSG_CHECKING([for xmllint >= 2.6.24...])
m4_ifdef(
[PKG_CHECK_EXISTS],
[
PKG_CHECK_EXISTS(
[libxml-2.0 >= 2.6.24],
[AC_MSG_RESULT([yes])],
[
AC_MSG_RESULT([no])
XMLLINT=""
AC_MSG_WARN([`xmllint' not available or too old. We cannot validate the XML sources.])
]
)
],
[
if $PKG_CONFIG libxml-2.0 --atleast-version=2.6.24; then
AC_MSG_RESULT([yes])
else
AC_MSG_RESULT([no])
XMLLINT=""
AC_MSG_WARN([`xmllint' not available or too old. We cannot validate the XML sources.])
fi
]
)
fi
AC_SUBST([XMLLINT])
AM_CONDITIONAL([HAVE_XMLLINT], [test "x$XMLLINT" != "x"])
AC_ARG_VAR(
[XMLLINT_FLAGS],
[More options, which should be used along with `xmllint', like e.g. `--nonet'.]
)
AC_SUBST([XMLLINT_FLAGS])
AC_MSG_CHECKING([for optional xmllint options to use...])
AC_MSG_RESULT([$XMLLINT_FLAGS])
]) # GCU_PROG_XMLLINT
dnl @synopsis GCU_PROG_XSLTPROC
dnl
dnl @summary Determine if we can use the xsltproc program
dnl
dnl This is a simple macro to define the location of xsltproc (which can
dnl be overridden by the user) and special options to use.
dnl
dnl @category InstalledPackages
dnl @author Daniel Leidert <daniel.leidert@wgdd.de>
dnl @version 2006-009-24
dnl @license AllPermissive
AC_DEFUN([GCU_PROG_XSLTPROC],[
AC_ARG_VAR(
[XSLTPROC],
[The `xsltproc' binary with path. Use it to define or override the location of `xsltproc'.]
)
AC_PATH_PROG([XSLTPROC], [xsltproc])
if test -z $XSLTPROC ; then
AC_MSG_WARN([`xsltproc' was not found! The manpages cannot be updated from their XML source.]) ;
fi
AC_SUBST([XSLTPROC])
AM_CONDITIONAL([HAVE_XSLTPROC], [test "x$XSLTPROC" != "x"])
AC_ARG_VAR(
[XSLTPROC_FLAGS],
[More options, which should be used along with `xsltproc', like e.g. `--nonet'.]
)
AC_SUBST([XSLTPROC_FLAGS])
AC_MSG_CHECKING([for optional xsltproc options to use...])
AC_MSG_RESULT([$XSLTPROC_FLAGS])
]) # GCU_PROG_XSLTPROC
dnl @synopsis GCU_PROG_MAN
dnl
dnl @summary Determine if we can use the man program
dnl
dnl This is a simple macro to define the location of man (which can
dnl be overridden by the user).
dnl
dnl @category InstalledPackages
dnl @author Daniel Leidert <daniel.leidert@wgdd.de>
dnl @version 2006-09-24
dnl @license AllPermissive
AC_DEFUN([GCU_PROG_MAN],[
AC_ARG_VAR(
[MAN],
[The `man' binary with path. Use it to define or override the location of `man'.]
)
AC_PATH_PROG([MAN], [man])
if test -z $MAN ; then