Molcas Forum

valera

Administrator

Registered: 2015-11-03

Posts: 124

luscus 0.8.3

Luscus 0.8.3 is now available.
New features:
1. cmake installation (tested on Windows, wine, MacOS, Linux )
2. grid2lus plug-in is removed, so the code will work only with new grid_it.
3. many bugs are removed.

in 0.8.3a version (coming in a moment) the msym library is included (but not activated).

Konstantin Falahati

Member

Registered: 2016-12-13

Posts: 3

Re: luscus 0.8.3

Dear Molcas Team!
Is there still a way to request the old .grid type file during a calculation in Molcas 8.1 or is the usage of Luscus now mandatory for e.g. creating initial guesses etc.?
All the best,
Konstantin

valera

Administrator

Registered: 2015-11-03

Posts: 124

Re: luscus 0.8.3

Konstantin Falahati
0. Please, ask questions related to developer's version of Molcas in developer's forums
1. NOLUSCUS and ASCII keywords in &grid_it

Konstantin Falahati

Member

Registered: 2016-12-13

Posts: 3

Re: luscus 0.8.3

Thanks a lot!!
that helps indeed.
All the best,
Konstantin

huangtf

Member

Registered: 2017-04-23

Posts: 18

Re: luscus 0.8.3

Dear all,

I've downloaded the luscus.0.8.3_win.zip from https://sourceforge.net/projects/luscus/files/ and installed it on my windows 10 (notebook pc) to visualize orbitals (.grid and .molden) generated from molcas 8.0 (version v8.0.15-06-18). I copied "luscus" subdirectory to the location pointed by %LOCALAPPDATA% environment variable, thus, all configurational files and plugins are at: C:\Users\username\AppData\local\luscus\. However, luscus doesn't support these orbitals (water.grid and water.molden), and even can't open water.xyz file (unless I change the extension of water.xyz into water.lus just via saving water.xyz as water.lus in a text editor). How to solve it, please?

Thank you in advance!

Best regards,
huangtf

Last edited by huangtf (2017-06-08 04:00:37)

valera

Administrator

Registered: 2015-11-03

Posts: 124

Re: luscus 0.8.3

huangtf,
please, read https://sourceforge.net/p/luscus/wiki/Home/
grid files from molcas 8.0 are compatible with luscus <=0.8.1

nikolay

Member

From: Stuttgart

Registered: 2016-03-21

Posts: 54

Re: luscus 0.8.3

valera,

I have problems with compiling the latest luscus on openSUSE 42.2.
In the output there is a message about using GTK3 instead of GTK2, but it is also written that it is OK.
Do you have any ideas?
Cmake gives the following error in the CMakeFiles/CMakeOutput.log:

Determining if the function strcasestr exists passed with the following output:
Change Dir: /home/bogdanov/src/luscus_0.8.3/build/CMakeFiles/CMakeTmp

Run Build Command:"/usr/bin/gmake" "cmTC_f3cd4/fast"
/usr/bin/gmake -f CMakeFiles/cmTC_f3cd4.dir/build.make CMakeFiles/cmTC_f3cd4.dir/build
gmake[1]: Entering directory '/home/bogdanov/src/luscus_0.8.3/build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_f3cd4.dir/CheckFunctionExists.c.o
/usr/bin/cc    -DCHECK_FUNCTION_EXISTS=strcasestr   -o CMakeFiles/cmTC_f3cd4.dir/CheckFunctionExists.c.o   -c /usr/share/cmake/Modules/CheckFunctionExists.c
Linking C executable cmTC_f3cd4
/usr/bin/cmake -E cmake_link_script CMakeFiles/cmTC_f3cd4.dir/link.txt --verbose=1
/usr/bin/cc   -DCHECK_FUNCTION_EXISTS=strcasestr    CMakeFiles/cmTC_f3cd4.dir/CheckFunctionExists.c.o  -o cmTC_f3cd4 -rdynamic 
gmake[1]: Leaving directory '/home/bogdanov/src/luscus_0.8.3/build/CMakeFiles/CMakeTmp'


Determining if the function strcasecmp exists passed with the following output:
Change Dir: /home/bogdanov/src/luscus_0.8.3/build/CMakeFiles/CMakeTmp

Run Build Command:"/usr/bin/gmake" "cmTC_c5b28/fast"
/usr/bin/gmake -f CMakeFiles/cmTC_c5b28.dir/build.make CMakeFiles/cmTC_c5b28.dir/build
gmake[1]: Entering directory '/home/bogdanov/src/luscus_0.8.3/build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_c5b28.dir/CheckFunctionExists.c.o
/usr/bin/cc    -DCHECK_FUNCTION_EXISTS=strcasecmp   -o CMakeFiles/cmTC_c5b28.dir/CheckFunctionExists.c.o   -c /usr/share/cmake/Modules/CheckFunctionExists.c
<command-line>:0:23: warning: conflicting types for built-in function ‘strcasecmp’ [enabled by default]
/usr/share/cmake/Modules/CheckFunctionExists.c:6:6: note: in expansion of macro ‘CHECK_FUNCTION_EXISTS’
 char CHECK_FUNCTION_EXISTS();
      ^
Linking C executable cmTC_c5b28
/usr/bin/cmake -E cmake_link_script CMakeFiles/cmTC_c5b28.dir/link.txt --verbose=1
/usr/bin/cc   -DCHECK_FUNCTION_EXISTS=strcasecmp    CMakeFiles/cmTC_c5b28.dir/CheckFunctionExists.c.o  -o cmTC_c5b28 -rdynamic 
gmake[1]: Leaving directory '/home/bogdanov/src/luscus_0.8.3/build/CMakeFiles/CMakeTmp'

nikolay

Member

From: Stuttgart

Registered: 2016-03-21

Posts: 54

Re: luscus 0.8.3

I found that the error was related to the absence of the required libraries.
On openSUSE 42.2 I had to install the following packages:

libgtkglext-x11-1_0-0 gtkglext-devel Mesa-devel libGLU1 glu-devel glew glew-devel

I'm not sure if the last two are really required.

Interesting point is that I still get an error during the build:

CMakeFiles/luscus.dir/luscus_gtk_handle.c.o: In function `luscus_gtk_draw_sphere':
luscus_gtk_handle.c:(.text+0x37): undefined reference to `gdk_gl_draw_sphere'
CMakeFiles/luscus.dir/luscus_gtk_handle.c.o: In function `luscus_gtk_draw_torus':
luscus_gtk_handle.c:(.text+0x84): undefined reference to `gdk_gl_draw_torus'
CMakeFiles/luscus.dir/luscus_gtk_handle.c.o: In function `luscus_gtk_draw_teapot':
luscus_gtk_handle.c:(.text+0xb5): undefined reference to `gdk_gl_draw_teapot'
CMakeFiles/luscus.dir/luscus_gtk_handle.c.o: In function `luscus_gtk_draw_cube':
luscus_gtk_handle.c:(.text+0xe6): undefined reference to `gdk_gl_draw_cube'

After an 'investigation', I found that the gdk_gl_draw_xxx functions are removed from the latest versions of gtkglext, see the commit from 2009.
Apparently Debian (and Ubuntu) maintainers still keep it, but not the rest of the distributions.
It would be nice to replace these functions in luscus for compatibility with Linux distributions other than Debian.

Since there is no cmake option to disable gtkglext, I modified the CMakeLists.txt such that it is not used, and -lX11 is linked with gtk2.

valera

Administrator

Registered: 2015-11-03

Posts: 124

Re: luscus 0.8.3

Most tested version of Luscus requires libgtkglext (old one). And yes, there is a mess with standards for GTK2 and GTK3.
It is sad, but reflects the reality...