Bugs item #2821873, was opened at 2009-07-15 13:43
Message generated for change (Tracker Item Submitted) made by nobody
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Category: Commands / Extensions
Group: v 0.9.0
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Nobody/Anonymous (nobody)
Summary: Can’t read/write cml files, can’t run geom opt & more
Initial Comment:
Installed avogadro from git:
cryos-avogadro-56c04a735c444d6cc702c24f37e1e74ce9cb33fe.tar.gz
Configured with:
cmake -DCMAKE_BUILD_TYPE=Debug -DENABLE_GLSL=ON -DENABLE_PYTHON=ON …
Installed in OpenSuSE 11.2 (Milestone 3) which contains libqt4-4.5.2, libopenbabel3-2.2.1 (from packman repo), libeigen2-devel-2.0.90+svn933208, libboost_python1_38_0-1.38.0, cmake-2.6.4.
I can’t load any cml file, even the provided water molecule. It says something like “read of the molecule file failed”.
If I create a simple molecule and then save, it says “File type for file ‘path/filename.cml’ is not supported for writing”. I have write permissions in that directory.
A file with size 0 is created though.
Extensions->OptimizeGeometry also doesn’t work. In the program it says “can’t create force field for this molecule”. See the command line output:
"Avogadro version: 0.9.6 Git:
LibAvogadro version: 0.9.6 Git: "
Locale: "es_ES"
Translation successfully loaded.
“System has OpenGL support.”
“About to test OpenGL capabilities.”
"OpenGL capabilities found: "
“Double Buffering.”
“Direct Rendering.”
"Antialiasing."
Searching for plugins in "/usr/local/bin/…/lib/avogadro/colors"
Searching for plugins in “/usr/local/bin/…/lib/avogadro/engines”
“orbitalengine.so” failed to load. "Cannot load library /usr/local/lib/avogadro/engines/orbitalengine.so: (/usr/local/lib/avogadro/engines/orbitalengine.so: undefined symbol: ZN8Avogadro6Engine14changeMoleculeEPNS_8MoleculeES2)"
Searching for plugins in “/usr/local/bin/…/lib/avogadro/extensions”
“orbitalextension.so” failed to load. "Error desconocido"
Searching for plugins in "/usr/local/bin/…/lib/avogadro/tools"
Searching for plugins in "/usr/local/bin/…/lib/avogadro/contrib"
QStackedLayout::setCurrentWidget: Widget 0xd96190 not contained in stack
GLWidget initialisation…
GLSL support enabled, OpenGL 2.0 support confirmed.
GLWidget initialised…
createObjects()
libpng warning: Ignoring attempt to set cHRM RGB triangle with zero area
*** Open Babel Error in ParseParamFile
Cannot open parameter file
Force Field: 1
Nymber of steps: 500
Algorithm: 0
*** Open Babel Error in ParseParamFile
Cannot open UFF.prm
*** Open Babel Error in SetTypes
Cannot open UFF.prm
OpenGL extension GL_ARB_texture_rectangle is present.
Also when calculating energy:
*** Open Babel Error in ParseParamFile
Cannot open parameter file
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