/usr/src/packages/BUILD/kryomol-0.7.1/src/kryonmr/kryonmr/spectralwidget.cpp:63: error: invalid use of incomplete type ‘struct QwtScaleDraw’
/usr/src/packages/BUILD/kryomol-0.7.1/src/kryonmr/kryonmr/spectralwidget.h:38: error: forward declaration of ‘struct QwtScaleDraw’
/usr/src/packages/BUILD/kryomol-0.7.1/src/kryonmr/kryonmr/spectralwidget.cpp:64: error: invalid use of incomplete type ‘struct QwtLinearScaleEngine’
/usr/src/packages/BUILD/kryomol-0.7.1/src/kryonmr/kryonmr/spectralwidget.h:39: error: forward declaration of ‘struct QwtLinearScaleEngine’
/usr/src/packages/BUILD/kryomol-0.7.1/src/kryonmr/kryonmr/spectralwidget.cpp: In member function ‘void SpectralWidget::InitMenus()’:

etc.etc.

openSUSE 11.2
KDE 4.4.2
Qt 4.6.2

Any suggestions?

m0nk

it seems that qwt5 headers are under /usr/include/qwt

define the CPLUS_INCLUDE PATH before compiling as

export CPLUS_INCLUDE_PATH=/usr/include/qwt

and it should work

I will try to improve qwt detection for next version

Need it for KDE4. Any chance?

m0nk

Port to KDE4 is just on the way, part of the NMR stuff is partially ported. After porting the 3D stuff I will release a 0.7.0 KDE4 alpha version.

Hi,
configure spits out the following error:
checking GL/gl.h usability... yes
checking GL/gl.h presence... yes
checking for GL/gl.h... yes
checking for glEnable in -lGL... no
configure: error: lacking proper OpenGL support
I've Mesa 7.0.1 installed, but the ATI 8.4 drivers, too.
Any suggestions?

Greetings
m0nk

Hi
Strange, have you tried to compile a simpler OpengL example
Nevertheless the autconf/automake stuff has been changed for 0.6.7, you can download a pre version at
http://galileo.usc.es/~armando/software/kryomol/kryomol-0.6.7-pre.tar.gz

If you still have problems tell me what distro are you using and I will try to prepare a binary package.

Hi,
0.6.7-pre works, if --with-extra-libs is provided.

Greetings
m0nk

I can't seem to get the program to compile after configuring it. I installed qwt-4.2.0-1 and qwt-devel-4.2.0-1 and then configured the kryomol fine, then when I went to compile it, it spat out this:

[root@localhost thwalls]# '/home/thwalls/kryomol-0.6.3/configure'
checking build system type... i686-pc-linux-gnu
checking host system type... i686-pc-linux-gnu
checking target system type... i686-pc-linux-gnu
checking for a BSD-compatible install... /usr/bin/install -c
checking for -p flag to install... yes
checking whether build environment is sane... yes
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
configure: error: source directory already configured; run "make distclean" there first
[root@localhost thwalls]# cd kryomol-0.6.3
[root@localhost kryomol-0.6.3]# make
make all-recursive
make[1]: Entering directory `/home/thwalls/kryomol-0.6.3'
Making all in doc
make[2]: Entering directory `/home/thwalls/kryomol-0.6.3/doc'
Making all in .
make[3]: Entering directory `/home/thwalls/kryomol-0.6.3/doc'
make[3]: Nothing to be done for `all-am'.
make[3]: Leaving directory `/home/thwalls/kryomol-0.6.3/doc'
Making all in en
make[3]: Entering directory `/home/thwalls/kryomol-0.6.3/doc/en'
make[3]: Nothing to be done for `all'.
make[3]: Leaving directory `/home/thwalls/kryomol-0.6.3/doc/en'
make[2]: Leaving directory `/home/thwalls/kryomol-0.6.3/doc'
Making all in po
make[2]: Entering directory `/home/thwalls/kryomol-0.6.3/po'
make[2]: Nothing to be done for `all'.
make[2]: Leaving directory `/home/thwalls/kryomol-0.6.3/po'
Making all in src
make[2]: Entering directory `/home/thwalls/kryomol-0.6.3/src'
Making all in 3dparty
make[3]: Entering directory `/home/thwalls/kryomol-0.6.3/src/3dparty'
Making all in gl2tops
make[4]: Entering directory `/home/thwalls/kryomol-0.6.3/src/3dparty/gl2tops'
make[4]: Nothing to be done for `all'.
make[4]: Leaving directory `/home/thwalls/kryomol-0.6.3/src/3dparty/gl2tops'
make[4]: Entering directory `/home/thwalls/kryomol-0.6.3/src/3dparty'
make[4]: Nothing to be done for `all-am'.
make[4]: Leaving directory `/home/thwalls/kryomol-0.6.3/src/3dparty'
make[3]: Leaving directory `/home/thwalls/kryomol-0.6.3/src/3dparty'
Making all in tools
make[3]: Entering directory `/home/thwalls/kryomol-0.6.3/src/tools'
make[3]: Nothing to be done for `all'.
make[3]: Leaving directory `/home/thwalls/kryomol-0.6.3/src/tools'
Making all in kryonmr
make[3]: Entering directory `/home/thwalls/kryomol-0.6.3/src/kryonmr'
Making all in kryonmr
make[4]: Entering directory `/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr'
Making all in kryonmrparsers
make[5]: Entering directory `/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr/kryonmrparsers'
make[5]: Nothing to be done for `all'.
make[5]: Leaving directory `/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr/kryonmrparsers'
Making all in wavelets
make[5]: Entering directory `/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr/wavelets'
make[5]: Nothing to be done for `all'.
make[5]: Leaving directory `/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr/wavelets'
make[5]: Entering directory `/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr'
if /bin/sh ../../../libtool --silent --tag=CXX --mode=compile g++ -DHAVE_CONFIG_H -I. -I/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr -I../../.. -I/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr/kryonmrparsers -I/home/thwalls/kryomol-0.6.3/src/tools -I/usr/lib/qt3//include -I/usr/X11R6/include -DQT_THREAD_SUPPORT -D_REENTRANT -fexceptions -Wnon-virtual-dtor -Wno-long-long -Wundef -ansi -D_XOPEN_SOURCE=500 -D_BSD_SOURCE -Wcast-align -Wconversion -Wchar-subscripts -Wall -W -Wpointer-arith -Wwrite-strings -O2 -Wformat-security -Wmissing-format-attribute -fno-exceptions -fno-check-new -fno-common -MT libkryonmr_la-spectralwidget.lo -MD -MP -MF ".deps/libkryonmr_la-spectralwidget.Tpo" -c -o libkryonmr_la-spectralwidget.lo `test -f 'spectralwidget.cpp' || echo '/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr/'`spectralwidget.cpp; \
then mv -f ".deps/libkryonmr_la-spectralwidget.Tpo" ".deps/libkryonmr_la-spectralwidget.Plo"; else rm -f ".deps/libkryonmr_la-spectralwidget.Tpo"; exit 1; fi
spectralwidget.cpp:34:27: error: qwt/qwt_scale.h: No such file or directory
spectralwidget.cpp: In constructor 'SpectralWidget::SpectralWidget(QWidget*, const char*)':
spectralwidget.cpp:55: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp: At global scope:
spectralwidget.cpp:88: warning: unused parameter 'e'
spectralwidget.cpp: In member function 'void SpectralWidget::Draw(QPainter*, const QRect&, bool)':
spectralwidget.cpp:120: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp: At global scope:
spectralwidget.cpp:130: warning: unused parameter 'e'
spectralwidget.cpp: In member function 'void SpectralWidget::UpdateDrawingRect(const QRect&, bool)':
spectralwidget.cpp:139: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:139: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:139: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:139: error: 'QwtScaleDraw' was not declared in this scope
spectralwidget.cpp:139: error: expected primary-expression before '>' token
spectralwidget.cpp:139: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:139: error: 'QwtScaleDraw' is not a class or namespace
spectralwidget.cpp:139: error: expected `)' before ';' token
spectralwidget.cpp: In member function 'void SpectralWidget::OpenFile(QString)':
spectralwidget.cpp:213: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:213: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:213: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:213: error: 'QwtScaleDraw' was not declared in this scope
spectralwidget.cpp:213: error: expected primary-expression before '>' token
spectralwidget.cpp:213: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:213: error: expected `)' before ';' token
spectralwidget.cpp:215: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:215: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:215: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:215: error: expected primary-expression before '>' token
spectralwidget.cpp:215: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:215: error: 'QwtScaleDraw' is not a class or namespace
spectralwidget.cpp:215: error: expected `)' before ';' token
spectralwidget.cpp: At global scope:
spectralwidget.cpp:244: warning: unused parameter 'url'
spectralwidget.cpp: In member function 'virtual void SpectralWidget::mouseReleaseEvent(QMouseEvent*)':
spectralwidget.cpp:395: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:395: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:395: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:395: error: 'QwtScaleDraw' was not declared in this scope
spectralwidget.cpp:395: error: expected primary-expression before '>' token
spectralwidget.cpp:395: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:395: error: expected `)' before ';' token
spectralwidget.cpp: In member function 'void SpectralWidget::OnFull()':
spectralwidget.cpp:505: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:505: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:505: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:505: error: 'QwtScaleDraw' was not declared in this scope
spectralwidget.cpp:505: error: expected primary-expression before '>' token
spectralwidget.cpp:505: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:505: error: expected `)' before ';' token
spectralwidget.cpp: In member function 'void SpectralWidget::OnLeft()':
spectralwidget.cpp:534: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:534: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:534: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:534: error: 'QwtScaleDraw' was not declared in this scope
spectralwidget.cpp:534: error: expected primary-expression before '>' token
spectralwidget.cpp:534: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:534: error: expected `)' before ';' token
spectralwidget.cpp: In member function 'void SpectralWidget::OnRight()':
spectralwidget.cpp:544: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:544: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:544: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:544: error: 'QwtScaleDraw' was not declared in this scope
spectralwidget.cpp:544: error: expected primary-expression before '>' token
spectralwidget.cpp:544: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:544: error: expected `)' before ';' token
spectralwidget.cpp: In member function 'void SpectralWidget::OnFT()':
spectralwidget.cpp:697: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:697: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:697: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:697: error: 'QwtScaleDraw' was not declared in this scope
spectralwidget.cpp:697: error: expected primary-expression before '>' token
spectralwidget.cpp:697: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:697: error: expected `)' before ';' token
spectralwidget.cpp: In member function 'void SpectralWidget::OnZeroFill(int)':
spectralwidget.cpp:745: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:745: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:745: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:745: error: 'QwtScaleDraw' was not declared in this scope
spectralwidget.cpp:745: error: expected primary-expression before '>' token
spectralwidget.cpp:745: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:745: error: expected `)' before ';' token
spectralwidget.cpp: In member function 'void SpectralWidget::GetImage(QImage&, int, int)':
spectralwidget.cpp:760: error: expected type-specifier before 'QwtScaleDraw'
spectralwidget.cpp:760: error: expected `>' before 'QwtScaleDraw'
spectralwidget.cpp:760: error: expected `(' before 'QwtScaleDraw'
spectralwidget.cpp:760: error: 'QwtScaleDraw' was not declared in this scope
spectralwidget.cpp:760: error: expected primary-expression before '>' token
spectralwidget.cpp:760: error: invalid use of undefined type 'struct QwtScale'
spectralwidget.h:33: error: forward declaration of 'struct QwtScale'
spectralwidget.cpp:760: error: expected `)' before ';' token
make[5]: *** [libkryonmr_la-spectralwidget.lo] Error 1
make[5]: Leaving directory `/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr'
make[4]: *** [all-recursive] Error 1
make[4]: Leaving directory `/home/thwalls/kryomol-0.6.3/src/kryonmr/kryonmr'
make[3]: *** [all-recursive] Error 1
make[3]: Leaving directory `/home/thwalls/kryomol-0.6.3/src/kryonmr'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/thwalls/kryomol-0.6.3/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/home/thwalls/kryomol-0.6.3'
make: *** [all] Error 2

I just don't get what I'm doing wrong here, any tips????

It seems that qwt headers are not in a standard location, which distro are you using?

So, for instance if qwt headers are under /usr/local/include

export CPLUS_INCLUDE_PATH=/usr/local/include:$CPLUS_INCLUDE_PATH

and then ./configure && make && make install

Note that some binary packages are available on the home page of the project.

First of all!, it is important to use qwt version < 5.0, because krymol uses 4.2.0 version's file qwt_scale.h, which is NOT included in 5.0 release. I suggest you mention it in descrption.

Compiling qwt 4.2.0 from sources is a bit troublesome, you need to install it manually and above all it seems that *.h files need to be in qwt directory... :/

Programme looks very nice but it has too few features to be competitive with molden or so. Please, continue working on this app. :)

Well, I will try to manage this Qwt problem inside the autotools stuff. Thank you for your feedback. For KDE4 KryoMol will be linked of course against Qwt 5.0

A SlackWare TGz package with SlackBuild Script is Ready to DownLoad!!!

http://www.slacky.it/

http://www.slacky.it/index.php?option=com_remository&Itemid=1&func=fileinfo&filecatid=989&parent=category

After installed qwt Kryomol compile good
, but i have two problem.
1)The main Windows under menu file, i have only two voices ( Open / Close ).
Where is the (New) voice?
2)Kryomol make one menu named "Chemistry". It's no standard menu on Kde, for me it's better that the Kryomol voice is under Edutainment/science!!

There is now new file, since KryoMol does not have an own molecular builder ( you can interface it with xdrawchem to do 2D/3D conversion but this is still in early alpha state).

Respect to the menu question I have to consider it this is the right option, since some chemistry applications prefer to register under Chemistry. Take into account that these are quite specialized applications. xdrawchem and qtiplot register under Sciences which is likely the better option.

make[3]: Entering directory `/tmp/kryomol-0.6/src/kryonmr/kryonmr'
if /bin/sh ../../../libtool --silent --mode=compile --tag=CXX i486-slackware-linux-g++ -DHAVE_CONFIG_H -I. -I. -I../../.. -I/opt/kde/include -I/usr/lib/qt/include -I/usr/X11R6/include -DQT_THREAD_SUPPORT -D_REENTRANT -Wnon-virtual-dtor -Wno-long-long -Wundef -ansi -D_XOPEN_SOURCE=500 -D_BSD_SOURCE -Wcast-align -Wconversion -Wchar-subscripts -Wall -W -Wpointer-arith -Wwrite-strings -DNDEBUG -DNO_DEBUG -O2 -O2 -march=i486 -mcpu=i686 -Wformat-security -Wmissing-format-attribute -fno-exceptions -fno-check-new -fno-common -MT spectralwidget.lo -MD -MP -MF ".deps/spectralwidget.Tpo" \
-c -o spectralwidget.lo `test -f 'spectralwidget.cpp' || echo './'`spectralwidget.cpp; \
then mv -f ".deps/spectralwidget.Tpo" ".deps/spectralwidget.Plo"; \
else rm -f ".deps/spectralwidget.Tpo"; exit 1; \
fi
spectralwidget.cpp:34:27: qwt/qwt_scale.h: No such file or directory
In file included from spectralwidget.cpp:38:
parsers.h:28:7: warning: no newline at end of file
spectralwidget.cpp: In constructor `SpectralWidget::SpectralWidget(QWidget*,
const char*)':
spectralwidget.cpp:55: error: invalid use of undefined type `struct QwtScale'
spectralwidget.h:33: error: forward declaration of `struct QwtScale'
spectralwidget.cpp: In member function `virtual void
SpectralWidget::paintEvent(QPaintEvent*)':
spectralwidget.cpp:87: warning: unused parameter `QPaintEvent*e'
spectralwidget.cpp: In member function `void SpectralWidget::Draw(QPainter*,
const QRect&, bool)':
spectralwidget.cpp:109: error: `scaleDraw' undeclared (first use this function)
spectralwidget.cpp:109: error: (Each undeclared identifier is reported only
once for each function it appears in.)
spectralwidget.cpp:101: warning: unused parameter `bool bprint'
spectralwidget.cpp: In member function `virtual void
SpectralWidget::resizeEvent(QResizeEvent*)':
spectralwidget.cpp:123: error: syntax error before `*' token
spectralwidget.cpp:120: warning: unused parameter `QResizeEvent*e'
spectralwidget.cpp: In member function `void SpectralWidget::OpenFile(const
KURL&)':
spectralwidget.cpp:178: error: syntax error before `*' token
spectralwidget.cpp:180: error: syntax error before `*' token
spectralwidget.cpp: In member function `void SpectralWidget::OnExport(const
KURL&)':
spectralwidget.cpp:208: warning: unused parameter `const KURL&url'
spectralwidget.cpp: In member function `virtual void
SpectralWidget::mouseReleaseEvent(QMouseEvent*)':
spectralwidget.cpp:361: error: syntax error before `*' token
spectralwidget.cpp: In member function `void SpectralWidget::OnFull()':
spectralwidget.cpp:471: error: syntax error before `*' token
spectralwidget.cpp: In member function `void SpectralWidget::OnLeft()':
spectralwidget.cpp:500: error: syntax error before `*' token
spectralwidget.cpp: In member function `void SpectralWidget::OnRight()':
spectralwidget.cpp:510: error: syntax error before `*' token
spectralwidget.cpp: In member function `void SpectralWidget::OnFT()':
spectralwidget.cpp:592: error: syntax error before `*' token
spectralwidget.cpp: In member function `void SpectralWidget::GetImage(QImage&,
int, int)':
spectralwidget.cpp:633: error: syntax error before `*' token
make[3]: *** [spectralwidget.lo] Error 1
make[3]: Leaving directory `/tmp/kryomol-0.6/src/kryonmr/kryonmr'
make[2]: *** [install-recursive] Error 1
make[2]: Leaving directory `/tmp/kryomol-0.6/src/kryonmr'
make[1]: *** [install-recursive] Error 1
make[1]: Leaving directory `/tmp/kryomol-0.6/src'
make: *** [install-recursive] Error 1

You need to install the qwt libraries (http://qwt.sourceforge.net). It is a quite used package so surely it is already included on your distro or should be no difficult to get precompiled packages on the web. Don't forget to install also the qwt-devel package

I had the same problem as above on Fedora and found that Fedora doesn't have a qwt package but was able to find an RPM for qwt and qwt-devel at http://lintouch.org/download/ltl-qwt-1.8.1/fedora/
I was able to compile KryoMol with that.

One problem I'm seeing is that it is crashing on opening larger .pdb files with a "signal 6 (SIGABRT)".

PDB support is not very optimal specially for biomolecules, likely I will include optional OpenBabel support for certain formats as PDB. However if you send me the file I can take a look at it.

I had the same problem as above on Fedora and found that Fedora doesn't have a qwt package but was able to find an RPM for qwt and qwt-devel at http://lintouch.org/download/ltl-qwt-1.8.1/fedora/
I was able to compile KryoMol with that.

One problem I'm seeing is that it is crashing on opening larger .pdb files with a "signal 6 (SIGABRT)".

I had the same problem as above on Fedora and found that Fedora doesn't have a qwt package but was able to find an RPM for qwt and qwt-devel at http://lintouch.org/download/ltl-qwt-1.8.1/fedora/
I was able to compile KryoMol with that.

One problem I'm seeing is that it is crashing on opening larger .pdb files with a "signal 6 (SIGABRT)".