echempp-devel Mailing List for EChem++ (Page 20)

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Re: [Echempp-devel] inconsistency in EChem++ 0.1

From: <ber...@t-...> - 2006-01-22 11:21:04

Kai Ludwig wrote:
>>Hi,
>>I find a slight inconsistency in the dialogs of ModSim when trying to
>>read an `old' project file.
>>If I do File->Open for such a file, I get an error message dialog
>>
>>EccoError: see message in Mechanism Dialog
>>
>>and then, after clicking OK
>>
>>Error while rebuilding settings of (filename)
>>
>>After OK agein, the program continues to run (OK), but the Mechanism
>>Dialog is not active, so I can check the announced message.
> 
> 
> That's true. I'll push it on the stack. Maybe only one
> additional function call will solve the problem.
> 
> Kai
> 
> 
> 


OK, no problem - this is probably not urgent.
Bernd

-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

[Echempp-devel] acsite - problem

From: Kai L. <kai...@un...> - 2006-01-22 11:11:17

Hi All,

due to some problems during
the Qt-configuration of our GUI
and Analysis modules, I've made
some changes to the acsite.m4 files.
They're now on CVS.
Please update your trees and run

bootstrap+configure

in GUI and Analysis.

Kai



--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

Re: [Echempp-devel] inconsistency in EChem++ 0.1

From: Kai L. <kai...@un...> - 2006-01-22 10:02:50

> Hi,
> I find a slight inconsistency in the dialogs of ModSim when trying to
> read an `old' project file.
> If I do File->Open for such a file, I get an error message dialog
>
> EccoError: see message in Mechanism Dialog
>
> and then, after clicking OK
>
> Error while rebuilding settings of (filename)
>
> After OK agein, the program continues to run (OK), but the Mechanism
> Dialog is not active, so I can check the announced message.

That's true. I'll push it on the stack. Maybe only one
additional function call will solve the problem.

Kai



--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

[Echempp-devel] another problem: static

From: <ber...@t-...> - 2006-01-21 17:46:41

Hi,
I find another problem when running the static executable for ModSim (0.1).

If I start this from the command line in a xterm window, everything is 
fine. However, if I start from an application icon on the KDE screen,
start-up time is again extremely long, and the program shows the main 
window, but none of the buttons can be pressed because all system 
ressources are eaten up by this process.

What's wrong?

Bernd

-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

[Echempp-devel] two problems

From: <ber...@t-...> - 2006-01-21 17:36:59

Hi,

I want to report some problems/bugs/inconsistencies for EChem++ in two
areas:

(1) I still experience VERY long start-up times under certain 
circumstances. I seems that this is particularly the case, when one of 
the supporting libraries (e.g. Quantities) had been updated, but EChem++ 
had not been re-compiled/linked. Any idea why taht would happen?

(2) In the CV excitation function definition dialog, I have a two not 
optimal observations:
   (a) for Emax it is not possible to change the unit - this is
       inconsistent with the behavior for Estart
   (b) the limits of the graph and the ticks are still lebaled with `x'
       and `y'. Again, this is inconsistent, and as a user one would
       probably expect the `real' symbols here.

Could that be changed?

Regards
Bernd

-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

[Echempp-devel] inconsistency in EChem++ 0.1

From: <ber...@t-...> - 2006-01-21 11:29:48

Hi,
I find a slight inconsistency in the dialogs of ModSim when trying to 
read an `old' project file.
If I do File->Open for such a file, I get an error message dialog

EccoError: see message in Mechanism Dialog

and then, after clicking OK

Error while rebuilding settings of (filename)

After OK agein, the program continues to run (OK), but the Mechanism 
Dialog is not active, so I can check the announced message.

Bernd

-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

Re: [Echempp-devel] static executable

From: Kai L. <kai...@un...> - 2006-01-18 09:22:04

> Kai Ludwig wrote:
>> Hi All,
>>
>> in order to build static executables
>> we now support a --enable-staticexe
>> option in the configure script.
>>
>> If you want to use that option, you
>> have to install the static Qt and VTK
>> libraries as well (otherwise the
>> configuration process will fail).
>> Moreover, two environment variables
>> are again necessary:
>>
>> EPP_MANUAL
>>
>> and
>>
>> EPP_ICONS
>
> Kai,
> are these two environment variables necessary for static builds
> only, or for all installations?

for all installations. The program checks
these two variables with the getenv() function
from stdlib.

Kai

--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

Re: [Echempp-devel] static executable

From: <ber...@t-...> - 2006-01-18 09:11:11

Kai Ludwig wrote:
> Hi All,
> 
> in order to build static executables
> we now support a --enable-staticexe
> option in the configure script.
> 
> If you want to use that option, you
> have to install the static Qt and VTK
> libraries as well (otherwise the
> configuration process will fail).
> Moreover, two environment variables
> are again necessary:
> 
> EPP_MANUAL
> 
> and
> 
> EPP_ICONS

Kai,
are these two environment variables necessary for static builds
only, or for all installations?
Bernd

-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

[Echempp-devel] static executable

From: Kai L. <kai...@un...> - 2006-01-17 20:45:18

Hi All,

in order to build static executables
we now support a --enable-staticexe
option in the configure script.

If you want to use that option, you
have to install the static Qt and VTK
libraries as well (otherwise the
configuration process will fail).
Moreover, two environment variables
are again necessary:

EPP_MANUAL

and

EPP_ICONS

EPP_MANUAL should point to the
manual.html file (filename included!),
e.g.

<echemppdir>/GUI/Windows/QT/EChem++/Model/documentation/users/manual.html

and EPP_ICONS to the png files

e.g. <echemppdir>/GUI/Windows/QT/EChem++/images

To those who develop on echem9:

The Qt installation has changed.
A static Qt-3.3.1 is now available at
/usr/local/qt.
In order to install the EChem++
cvs tree on echem9 you have to set some
environment variables in your .bashrc
or .tshrc files.
Please look into the .bashrc file
in my home directory for the Qt environment.

Regards,
Kai

--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

[Echempp-devel] new versions of Quantities and BSUtilities released

From: <ber...@t-...> - 2006-01-15 13:43:50

Dear all,

in connection with the upcoming first release of our EChem++ software, I 
have just uploaded new releases of BSutilities (version 0.5) and 
Quantities (version 1.1) to the sourceforge server. These are assembled 
of the current code and thus require the new Loki library as described 
in earlier mails. They are good with the current (cvs) version of 
EChem++, and should be used for any release of our software.

Please download, install and have fun.

Please note that I have made available documentation from the old and 
the new version on the Quantities project home page (accessible through 
sourceforge), so users can look at the docu even if they did not 
generate their own documentation.

Regards
Bernd

-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

[Echempp-devel] new version of Loki library

From: <ber...@t-...> - 2006-01-14 22:11:44

Dear all,

while improving the Experiment class hierarchy, I detected a problem in 
the Loki library which we use quite extensively. It appeared that the 
problem was already known to the developers of that code, and their most 
recent version (0.1.3) avoided copiler errors. I have downloaded and
used this new version, however, a couple of central functions had 
changed names, so I had to do additional changes to the EChem++ code.
Moreover, some of the Loki functionality is now in a library (libloki).
Thus, you should add a new variable LOKILIB to your environment which 
points to the path where lokilib.a resides.

I have now installed the new version on echem9. The headers of the new 
file are at
/usr/include/loki  (this should be used in environment variable LOKISRC)
while the library is at
/usr/lib           (this should be used in environment variable LOKILIB)

Please, download version 0.1.3 of Loki from sourceforge to your local 
computer if you do development there, and copy the source to some 
directory of your choice. The README does not give all information about 
installation though. So, go the the loki source directory and do a

make;make install

this will compile the lokilib and install it to the locations above.

Then set your LOKILIB and LOKISRC environment variable accordingly.

Make a new installation of BSUtilities and Quantity (get the most recent 
cvs versions with checkout, since some files have been added). Make a 
./configure for both packages and compile.

Do the same for EChem++ (I will upload the relevant changes in a couple 
of minutes). This should do, except for my Experiment test programs. I 
am still checking for a bug.

Hope all works
Bernd
-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

[Echempp-devel] new user manual

From: Kai L. <kai...@un...> - 2006-01-13 09:14:22

Hi All,

the new user manual is almost completed
(Alain's part is missing).
Since also some bugs are fixed in
the Model and GUI subdirectories,
please do a top level checkout.
The manual can be accessed directly
by the 'Help->Contents' menu action
of the ModSim program.
You will find the manual.html
in the

GUI/Windows/Qt/EChem++/Model/documentation/users

directory.

Regards,
Kai


--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

Re: [Echempp-devel] model/experiment

From: <ber...@t-...> - 2006-01-13 08:38:59

Kai Ludwig wrote:

Kai,

> Yes. Actually the experiment program is rather a
> test program for Alain, to develop the ExcitationFunction
> dialogs. The same is true for the ModSim executable.
> 
> 

OK, that's what I thought.

> Alain has already prepared a 'master EChem++'.
> However, since a lot of functionality of
> EChem++ are still not defined or implemented,
> it may need some time before a master EChem++
> executable makes sence.

Yes, I understand.

I didn't have much time to do more testing. Parually due to the DSL 
failure, partially due to other (paper)work and lectures.
I'll come back to it.
What I could do in the last couple of nights, was some progress in the 
data container stuff. Still not finished though. I am trying to make 
everything generically, so a lot of template constructs are involved.
As usual, that's quite tricky. However, I'll get to it.

Bernd

-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

Re: [Echempp-devel] model/experiment

From: Kai L. <kai...@un...> - 2006-01-13 07:49:52

Hello Bernd,

> one more question:
> we have now the model and experiment excecutables.
> Is it correct that the experiment exec and the path
> Definitions->Geometry->ExcitationFunctionDefinition are just two
> alternative access possibilities to the same functionality?

Yes. Actually the experiment program is rather a
test program for Alain, to develop the ExcitationFunction
dialogs. The same is true for the ModSim executable.

> These two execs truly follow our general `module' strategy. However, we
> still have to think about some kind of `integration' of the two into on=
e
> common program (the `master EChem++').

Alain has already prepared a 'master EChem++'.
However, since a lot of functionality of
EChem++ are still not defined or implemented,
it may need some time before a master EChem++
executable makes sence.
By the way - the integration of the ModSim
dialogs into a master EChem++ should be very
easy.

For the first release, we should only install the
ModSim program.

Regards,
Kai


--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

[Echempp-devel] Experiment Dialog update

From: Alain M. <ala...@gm...> - 2006-01-12 12:44:22

Dear all,

according to Kai's suggestions, I fixed a bug in the user defined dialog,
and also a small one in the options dialog.
Regards
Alain

Re: [Echempp-devel] Experiment Dialog

From: Kai L. <kai...@un...> - 2006-01-12 08:39:33

Hi Alain,

thanks, the bugs are fixed.

However, I recognized a new one:

In the UD-dialog, linear segments: If I press the
mirror  button without a segment, the dialog crashes.

A comment to the color sliders in the options dialog:
The empty field in the ComboBox is a bit confusing.
Is it possible to remove it?

Kai


> Dear all,
>
> a new cvs version of the experiment dialogs has been released.
> Now Voltage Scan Rates (in CV and UD -dialog) equal Zero or NULL type d=
oes
> not cause a program crash anymore.
> Best regards.
>
> Alain
>


--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

[Echempp-devel] Experiment Dialog

From: Alain M. <ala...@gm...> - 2006-01-11 21:26:37

Dear all,

a new cvs version of the experiment dialogs has been released.
Now Voltage Scan Rates (in CV and UD -dialog) equal Zero or NULL type does
not cause a program crash anymore.
Best regards.

Alain

Re: [Echempp-devel] New name for model executable

From: <ber...@t-...> - 2006-01-11 18:00:40

Kai Ludwig wrote:
> Hi All,
> 
> In order to better reflect the tasks of
> the model program, I've changed the
> name of the executable to 'ModSim'
> (Modeling & Simulation).
> 
> Please do
> 
> 1) a top level checkout
> 2) cd GUI/Windows/Qt/EChem++/Model
> 3) make clean
> 4) make distclean
> 5) rm model
> 6) cd GUI
> 7) ./configure --prefix=<installation-dir>
> 8) make install
> 9) cd <installation-dir>
> 10) rm model
> 
> a new user manual is coming soon....

Thanks Kai!
Unfortunately, today my DSL connection broke down which cost me all the 
morning to get it back to work (thanks, in this case, Telekom).
In the afternoon, I had lectures, but maybe I can do some work tonight.
Regards
Bernd


-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

[Echempp-devel] cvs checkout

From: Kai L. <kai...@un...> - 2006-01-11 15:44:47

Hi All,

I've uploaded the following changes to the
cvs server:

GUI:

(1)
the variables EPP_HELPSRC, EPP_ICONSRC are obsolete.
The GUI/configure script now determines the according
pathnames automatically.
A GUI/bootstrap and GUI/configure is needed!

(2)
the names of the geometryDialog* files have been changed
to experimentDialog*

(3)
A (not yet completed) user manual is available under
GUI/Windows/Qt/EChem++/Model/documentation/users/manual.html
The manual.html file is also set as 'home' link of the
ModSim help browser.
In response to Bernd's mail, comment (3):
note that external links do not work with this
simple html text browser - it is not a complete
web browser.

Regards,
Kai




--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

[Echempp-devel] New name for model executable

From: Kai L. <kai...@un...> - 2006-01-11 13:42:51

Hi All,

In order to better reflect the tasks of
the model program, I've changed the
name of the executable to 'ModSim'
(Modeling & Simulation).

Please do

1) a top level checkout
2) cd GUI/Windows/Qt/EChem++/Model
3) make clean
4) make distclean
5) rm model
6) cd GUI
7) ./configure --prefix=3D<installation-dir>
8) make install
9) cd <installation-dir>
10) rm model

a new user manual is coming soon....

Regards Kai


--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

Re: [Echempp-devel] compilation problem

From: Kai L. <kai...@un...> - 2006-01-11 13:35:09

Sorry Bernd,

I've indeed forgotten to upload
the action files. Now they should
be on cvs.

Kai

> Kai
>
>>
>> make[6]: Entering directory
>> `/home/bs/software/EChem++/GUI/Windows/Qt/EChem++/Mo
>> del'
>> if g++ -DHAVE_CONFIG_H -I. -I. -I../../../.. -I.. -I.ui -I../Experimen=
t
>> -I../../
>> ../../../Utilities -I../../../../../Model -I../../../../../Experiment
>> -I../../..
>> /../../Analysis -I../../../../../GUI -I/usr/local/include/gmm-1.7
>> -I/usr/local/i
>> nclude/ginac -I/usr/local/include/loki -I/home/bs/software/Quantities
>> -I/home/bs
>> /software/BSUtilities -I/usr/local/src/vtk-4.4/VTK
>> -I/usr/local/src/vtk-4.4/VTK/
>> Common -I/usr/local/src/vtk-4.4/VTK/Filtering
>> -I/usr/local/src/vtk-4.4/VTK/Graph
>> ics -I/usr/local/src/vtk-4.4/VTK/Imaging
>> -I/usr/local/src/vtk-4.4/VTK/Rendering
>>     -DTIXML_USE_STL  -I/usr/lib/qt3/include -Wno-deprecated
>>        -MT
>>   model-helpWindow.o -MD -MP -MF ".deps/model-helpWindow.Tpo" -c -o
>> model-helpWin
>> dow.o `test -f 'helpWindow.cpp' || echo './'`helpWindow.cpp; \
>> then mv -f ".deps/model-helpWindow.Tpo" ".deps/model-helpWindow.Po";
>> else rm -f
>> ".deps/model-helpWindow.Tpo"; exit 1; fi
>> if g++ -DHAVE_CONFIG_H -I. -I. -I../../../.. -I.. -I.ui -I../Experimen=
t
>> -I../../
>> ../../../Utilities -I../../../../../Model -I../../../../../Experiment
>> -I../../..
>> /../../Analysis -I../../../../../GUI -I/usr/local/include/gmm-1.7
>> -I/usr/local/i
>> nclude/ginac -I/usr/local/include/loki -I/home/bs/software/Quantities
>> -I/home/bs
>> /software/BSUtilities -I/usr/local/src/vtk-4.4/VTK
>> -I/usr/local/src/vtk-4.4/VTK/
>> Common -I/usr/local/src/vtk-4.4/VTK/Filtering
>> -I/usr/local/src/vtk-4.4/VTK/Graph
>> ics -I/usr/local/src/vtk-4.4/VTK/Imaging
>> -I/usr/local/src/vtk-4.4/VTK/Rendering
>>     -DTIXML_USE_STL  -I/usr/lib/qt3/include -Wno-deprecated
>>        -MT
>>   model-plotWindow.o -MD -MP -MF ".deps/model-plotWindow.Tpo" -c -o
>> model-plotWin
>> dow.o `test -f 'plotWindow.cpp' || echo './'`plotWindow.cpp; \
>> then mv -f ".deps/model-plotWindow.Tpo" ".deps/model-plotWindow.Po";
>> else rm -f
>> ".deps/model-plotWindow.Tpo"; exit 1; fi
>> if g++ -DHAVE_CONFIG_H -I. -I. -I../../../.. -I.. -I.ui -I../Experimen=
t
>> -I../../
>> ../../../Utilities -I../../../../../Model -I../../../../../Experiment
>> -I../../..
>> /../../Analysis -I../../../../../GUI -I/usr/local/include/gmm-1.7
>> -I/usr/local/i
>> nclude/ginac -I/usr/local/include/loki -I/home/bs/software/Quantities
>> -I/home/bs
>> /software/BSUtilities -I/usr/local/src/vtk-4.4/VTK
>> -I/usr/local/src/vtk-4.4/VTK/
>> Common -I/usr/local/src/vtk-4.4/VTK/Filtering
>> -I/usr/local/src/vtk-4.4/VTK/Graph
>> ics -I/usr/local/src/vtk-4.4/VTK/Imaging
>> -I/usr/local/src/vtk-4.4/VTK/Rendering
>>     -DTIXML_USE_STL  -I/usr/lib/qt3/include -Wno-deprecated
>>        -MT
>>   model-modelMainWindow.o -MD -MP -MF ".deps/model-modelMainWindow.Tpo=
"
>> -c -o mod
>> el-modelMainWindow.o `test -f 'modelMainWindow.cpp' || echo
>> './'`modelMainWindow
>> .cpp; \
>> then mv -f ".deps/model-modelMainWindow.Tpo"
>> ".deps/model-modelMainWindow.Po"; e
>> lse rm -f ".deps/model-modelMainWindow.Tpo"; exit 1; fi
>> make[6]: *** No rule to make target `experimentDialogAction.cpp', need=
ed
>> by `mod
>> el-experimentDialogAction.o'.  Stop.
>> make[6]: Leaving directory
>> `/home/bs/software/EChem++/GUI/Windows/Qt/EChem++/Mod
>> el'
>> make[5]: *** [install] Error 2
>>
>> something missing?
>> Bernd
>>
>> --
>> =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D>
>> Bernd Speiser
>> Institut f"ur Organische Chemie
>> Auf der Morgenstelle 18
>> D-72076 T"ubingen
>> Germany
>> phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
>> fax:   +49-7071-295518
>> e-mail: ber...@un...
>> Internet: http://www.uni-tuebingen.de/speiser
>> =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D>
>>
>> -------------------------------------------------------
>> This SF.net email is sponsored by: Splunk Inc. Do you grep through log
>> files
>> for problems?  Stop!  Download the new AJAX search engine that makes
>> searching your log files as easy as surfing the  web.  DOWNLOAD SPLUNK=
!
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>> _______________________________________________
>> Echempp-devel mailing list
>> Ech...@li...
>> https://lists.sourceforge.net/lists/listinfo/echempp-devel
>>
>
>
> --
> http://echempp.sourceforge.net
>
> Kai Ludwig
> Institut f=FCr Organische Chemie
> Auf der Morgenstelle 18
> 72076 T=FCbingen
> Mail: kai...@un...
>
>
> -------------------------------------------------------
> This SF.net email is sponsored by: Splunk Inc. Do you grep through log
> files
> for problems?  Stop!  Download the new AJAX search engine that makes
> searching your log files as easy as surfing the  web.  DOWNLOAD SPLUNK!
> http://ads.osdn.com/?ad_idv37&alloc_id=16865&op=3Dclick
> _______________________________________________
> Echempp-devel mailing list
> Ech...@li...
> https://lists.sourceforge.net/lists/listinfo/echempp-devel
>


--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

Re: [Echempp-devel] compilation problem

From: Kai L. <kai...@un...> - 2006-01-11 13:26:38

> Kai,
> after top level update:

try a checkout. I've renamed the former
geometryDialog.*, geometryDialogAction.*
and geometryDialogBase.ui files to
experiment*, accoring to your suggestion (10)
in one of the last mails.


Kai

>
> make[6]: Entering directory
> `/home/bs/software/EChem++/GUI/Windows/Qt/EChem++/Mo
> del'
> if g++ -DHAVE_CONFIG_H -I. -I. -I../../../.. -I.. -I.ui -I../Experiment
> -I../../
> ../../../Utilities -I../../../../../Model -I../../../../../Experiment
> -I../../..
> /../../Analysis -I../../../../../GUI -I/usr/local/include/gmm-1.7
> -I/usr/local/i
> nclude/ginac -I/usr/local/include/loki -I/home/bs/software/Quantities
> -I/home/bs
> /software/BSUtilities -I/usr/local/src/vtk-4.4/VTK
> -I/usr/local/src/vtk-4.4/VTK/
> Common -I/usr/local/src/vtk-4.4/VTK/Filtering
> -I/usr/local/src/vtk-4.4/VTK/Graph
> ics -I/usr/local/src/vtk-4.4/VTK/Imaging
> -I/usr/local/src/vtk-4.4/VTK/Rendering
>     -DTIXML_USE_STL  -I/usr/lib/qt3/include -Wno-deprecated
>        -MT
>   model-helpWindow.o -MD -MP -MF ".deps/model-helpWindow.Tpo" -c -o
> model-helpWin
> dow.o `test -f 'helpWindow.cpp' || echo './'`helpWindow.cpp; \
> then mv -f ".deps/model-helpWindow.Tpo" ".deps/model-helpWindow.Po";
> else rm -f
> ".deps/model-helpWindow.Tpo"; exit 1; fi
> if g++ -DHAVE_CONFIG_H -I. -I. -I../../../.. -I.. -I.ui -I../Experiment
> -I../../
> ../../../Utilities -I../../../../../Model -I../../../../../Experiment
> -I../../..
> /../../Analysis -I../../../../../GUI -I/usr/local/include/gmm-1.7
> -I/usr/local/i
> nclude/ginac -I/usr/local/include/loki -I/home/bs/software/Quantities
> -I/home/bs
> /software/BSUtilities -I/usr/local/src/vtk-4.4/VTK
> -I/usr/local/src/vtk-4.4/VTK/
> Common -I/usr/local/src/vtk-4.4/VTK/Filtering
> -I/usr/local/src/vtk-4.4/VTK/Graph
> ics -I/usr/local/src/vtk-4.4/VTK/Imaging
> -I/usr/local/src/vtk-4.4/VTK/Rendering
>     -DTIXML_USE_STL  -I/usr/lib/qt3/include -Wno-deprecated
>        -MT
>   model-plotWindow.o -MD -MP -MF ".deps/model-plotWindow.Tpo" -c -o
> model-plotWin
> dow.o `test -f 'plotWindow.cpp' || echo './'`plotWindow.cpp; \
> then mv -f ".deps/model-plotWindow.Tpo" ".deps/model-plotWindow.Po";
> else rm -f
> ".deps/model-plotWindow.Tpo"; exit 1; fi
> if g++ -DHAVE_CONFIG_H -I. -I. -I../../../.. -I.. -I.ui -I../Experiment
> -I../../
> ../../../Utilities -I../../../../../Model -I../../../../../Experiment
> -I../../..
> /../../Analysis -I../../../../../GUI -I/usr/local/include/gmm-1.7
> -I/usr/local/i
> nclude/ginac -I/usr/local/include/loki -I/home/bs/software/Quantities
> -I/home/bs
> /software/BSUtilities -I/usr/local/src/vtk-4.4/VTK
> -I/usr/local/src/vtk-4.4/VTK/
> Common -I/usr/local/src/vtk-4.4/VTK/Filtering
> -I/usr/local/src/vtk-4.4/VTK/Graph
> ics -I/usr/local/src/vtk-4.4/VTK/Imaging
> -I/usr/local/src/vtk-4.4/VTK/Rendering
>     -DTIXML_USE_STL  -I/usr/lib/qt3/include -Wno-deprecated
>        -MT
>   model-modelMainWindow.o -MD -MP -MF ".deps/model-modelMainWindow.Tpo"
> -c -o mod
> el-modelMainWindow.o `test -f 'modelMainWindow.cpp' || echo
> './'`modelMainWindow
> .cpp; \
> then mv -f ".deps/model-modelMainWindow.Tpo"
> ".deps/model-modelMainWindow.Po"; e
> lse rm -f ".deps/model-modelMainWindow.Tpo"; exit 1; fi
> make[6]: *** No rule to make target `experimentDialogAction.cpp', neede=
d
> by `mod
> el-experimentDialogAction.o'.  Stop.
> make[6]: Leaving directory
> `/home/bs/software/EChem++/GUI/Windows/Qt/EChem++/Mod
> el'
> make[5]: *** [install] Error 2
>
> something missing?
> Bernd
>
> --
> =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D
> Bernd Speiser
> Institut f"ur Organische Chemie
> Auf der Morgenstelle 18
> D-72076 T"ubingen
> Germany
> phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
> fax:   +49-7071-295518
> e-mail: ber...@un...
> Internet: http://www.uni-tuebingen.de/speiser
> =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D
>
>
> -------------------------------------------------------
> This SF.net email is sponsored by: Splunk Inc. Do you grep through log
> files
> for problems?  Stop!  Download the new AJAX search engine that makes
> searching your log files as easy as surfing the  web.  DOWNLOAD SPLUNK!
> http://ads.osdn.com/?ad_id=3D7637&alloc_id=3D16865&op=3Dclick
> _______________________________________________
> Echempp-devel mailing list
> Ech...@li...
> https://lists.sourceforge.net/lists/listinfo/echempp-devel
>


--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

[Echempp-devel] compilation problem

From: Bernd S. <ber...@un...> - 2006-01-11 11:32:01

Kai,
after top level update:

make[6]: Entering directory 
`/home/bs/software/EChem++/GUI/Windows/Qt/EChem++/Mo
del'
if g++ -DHAVE_CONFIG_H -I. -I. -I../../../.. -I.. -I.ui -I../Experiment 
-I../../
../../../Utilities -I../../../../../Model -I../../../../../Experiment 
-I../../..
/../../Analysis -I../../../../../GUI -I/usr/local/include/gmm-1.7 
-I/usr/local/i
nclude/ginac -I/usr/local/include/loki -I/home/bs/software/Quantities 
-I/home/bs
/software/BSUtilities -I/usr/local/src/vtk-4.4/VTK 
-I/usr/local/src/vtk-4.4/VTK/
Common -I/usr/local/src/vtk-4.4/VTK/Filtering 
-I/usr/local/src/vtk-4.4/VTK/Graph
ics -I/usr/local/src/vtk-4.4/VTK/Imaging 
-I/usr/local/src/vtk-4.4/VTK/Rendering
    -DTIXML_USE_STL  -I/usr/lib/qt3/include -Wno-deprecated 
       -MT
  model-helpWindow.o -MD -MP -MF ".deps/model-helpWindow.Tpo" -c -o 
model-helpWin
dow.o `test -f 'helpWindow.cpp' || echo './'`helpWindow.cpp; \
then mv -f ".deps/model-helpWindow.Tpo" ".deps/model-helpWindow.Po"; 
else rm -f
".deps/model-helpWindow.Tpo"; exit 1; fi
if g++ -DHAVE_CONFIG_H -I. -I. -I../../../.. -I.. -I.ui -I../Experiment 
-I../../
../../../Utilities -I../../../../../Model -I../../../../../Experiment 
-I../../..
/../../Analysis -I../../../../../GUI -I/usr/local/include/gmm-1.7 
-I/usr/local/i
nclude/ginac -I/usr/local/include/loki -I/home/bs/software/Quantities 
-I/home/bs
/software/BSUtilities -I/usr/local/src/vtk-4.4/VTK 
-I/usr/local/src/vtk-4.4/VTK/
Common -I/usr/local/src/vtk-4.4/VTK/Filtering 
-I/usr/local/src/vtk-4.4/VTK/Graph
ics -I/usr/local/src/vtk-4.4/VTK/Imaging 
-I/usr/local/src/vtk-4.4/VTK/Rendering
    -DTIXML_USE_STL  -I/usr/lib/qt3/include -Wno-deprecated 
       -MT
  model-plotWindow.o -MD -MP -MF ".deps/model-plotWindow.Tpo" -c -o 
model-plotWin
dow.o `test -f 'plotWindow.cpp' || echo './'`plotWindow.cpp; \
then mv -f ".deps/model-plotWindow.Tpo" ".deps/model-plotWindow.Po"; 
else rm -f
".deps/model-plotWindow.Tpo"; exit 1; fi
if g++ -DHAVE_CONFIG_H -I. -I. -I../../../.. -I.. -I.ui -I../Experiment 
-I../../
../../../Utilities -I../../../../../Model -I../../../../../Experiment 
-I../../..
/../../Analysis -I../../../../../GUI -I/usr/local/include/gmm-1.7 
-I/usr/local/i
nclude/ginac -I/usr/local/include/loki -I/home/bs/software/Quantities 
-I/home/bs
/software/BSUtilities -I/usr/local/src/vtk-4.4/VTK 
-I/usr/local/src/vtk-4.4/VTK/
Common -I/usr/local/src/vtk-4.4/VTK/Filtering 
-I/usr/local/src/vtk-4.4/VTK/Graph
ics -I/usr/local/src/vtk-4.4/VTK/Imaging 
-I/usr/local/src/vtk-4.4/VTK/Rendering
    -DTIXML_USE_STL  -I/usr/lib/qt3/include -Wno-deprecated 
       -MT
  model-modelMainWindow.o -MD -MP -MF ".deps/model-modelMainWindow.Tpo" 
-c -o mod
el-modelMainWindow.o `test -f 'modelMainWindow.cpp' || echo 
'./'`modelMainWindow
.cpp; \
then mv -f ".deps/model-modelMainWindow.Tpo" 
".deps/model-modelMainWindow.Po"; e
lse rm -f ".deps/model-modelMainWindow.Tpo"; exit 1; fi
make[6]: *** No rule to make target `experimentDialogAction.cpp', needed 
by `mod
el-experimentDialogAction.o'.  Stop.
make[6]: Leaving directory 
`/home/bs/software/EChem++/GUI/Windows/Qt/EChem++/Mod
el'
make[5]: *** [install] Error 2

something missing?
Bernd

-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

Re: [Echempp-devel] some new names in QuantityClusters

From: Kai L. <kai...@un...> - 2006-01-11 09:44:24

> P.S.: Kai will make some concurrent changes in some EChem++ files - so
> you should also get these later today.

here they come...

Kai

--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

Re: [Echempp-devel] some new names in QuantityClusters

From: <ber...@t-...> - 2006-01-11 08:56:28

Kai Ludwig wrote:
> Hi All,
> 
> the cvs server seems to be quite busy this evening: I couldn't
> get the changes in the Quantities. I will try this again
> tomorrow morning.

I experienced the same problem last night!
Bernd

-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

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