[ase-users] Windows version does not work

[StR]

Dear All:

I am trying to use ASE package.
However, I encountered that on Windows it does not work properly.

I installed all the packages by following the instruction page
https://wiki.fysik.dtu.dk/ase/download.html#installation
The system is Win7-Pro SP1.
The only difference is that I used the more recent 2.7.2.3 version of Python. 
Here are the files/version I used:

09/04/2012  01:29 PM        33,239,562 pygtk-all-in-one-2.24.2.win32-py2.7.msi
09/04/2012  01:38 PM       500,544,230 Python(x,y)-2.7.2.3.exe
09/04/2012  01:27 PM         1,327,104 python-ase-3.6.1.2627.win32.msi

After the installation, I ran testase.bat and received a bunch of errors.
See the copy of all the output from the test window below.
The plot and the struture window appeared on the screen.


When I subsequently tried to open a .cif file (I tried a few different 
ones downloaded from ICSD website), and an error was reporting (starting from 
the Authors' line), e.g.:
A programming error has been detected.

C:\Python27\MyStructures\Cu_0_96_Mn_0_04_EntryWithCollCode108390.cif:25: 
Unexpected CIF file entry: "'Trusova, E.F.'"

Here is the traceback:
Traceback (most recent call last):
   File "C:\Python27\lib\site-packages\ase\gui\gui.py", line 1106, in open
     self.images.read(filenames, slice(None), name_to_suffix[filetype])
   File "C:\Python27\lib\site-packages\ase\gui\images.py", line 157, in read
     i = read(filename, index,filetype)
   File "C:\Python27\lib\site-packages\ase\io\__init__.py", line 200, in read
     return read_cif(filename, index)
   File "C:\Python27\lib\site-packages\ase\io\cif.py", line 276, in read_cif
     blocks = parse_cif(fileobj)
   File "C:\Python27\lib\site-packages\ase\io\cif.py", line 185, in parse_cif
     blocks.append(parse_block(fileobj, line))
   File "C:\Python27\lib\site-packages\ase\io\cif.py", line 167, in parse_block
     tags = parse_items(fileobj, line)
   File "C:\Python27\lib\site-packages\ase\io\cif.py", line 158, in parse_items
     fileobj.name, get_lineno(fileobj), line))
ValueError: 
C:\Python27\MyStructures\Cu_0_96_Mn_0_04_EntryWithCollCode108390.cif
:25: Unexpected CIF file entry: "'Trusova, E.F.'"


Please advise if the "ERROR"s found by the test script are critical,
and also how I can overcome the error with .cif file.

Best regards,

StR

PS.
I was trying to find how I can post the bug report to the wiki (or actually 
comment on the existing Ticket #62, as my problem is continuation and extension 
of that (I think).
While there is a great wiki page informing about everything, and advising 
to submit bug reports, it does not tell how to get access to submit bug 
ticket comments or bug reports.


Screen capture for the errors produced by testase.bat:

python 2.7.2 MSC v.1500 32 bit (Intel) 32bit WindowsPE on Windows x86
Ag-Cu100.py (ScriptTestCase) ... ok
CO2_Au111.py (ScriptTestCase) ... ok
COCu111_2.py (ScriptTestCase) ... ok
ag.py (ScriptTestCase) ... ok
atom.py (ScriptTestCase) ... ok
bader.py (ScriptTestCase) ... ok
basin.py (ScriptTestCase) ... ERROR
build.py (ScriptTestCase) ... ok
center.py (ScriptTestCase) ... ok
cmdline.py (ScriptTestCase) ... ok
com.py (ScriptTestCase) ... ok
constr_setpos.py (ScriptTestCase) ... ok
coverage.py (ScriptTestCase) ... ok
crystal.py (ScriptTestCase) ... ok
dependency_gtk.py (ScriptTestCase) ... ok
dependency_matplotlib.py (ScriptTestCase) ... ok
dihedralconstraint.py (ScriptTestCase) ... ok
dimer.py (ScriptTestCase) ... ok
dimer_method.py (ScriptTestCase) ... ok
distmom.py (ScriptTestCase) ... ok
emt.py (ScriptTestCase) ... ok
emt1.py (ScriptTestCase) ... ok
emt2.py (ScriptTestCase) ... ok
example.py (ScriptTestCase) ... ok
geometry.py (ScriptTestCase) ... ok
h2.py (ScriptTestCase) ... ok
hcp.py (ScriptTestCase) ... ERROR
maxwellboltzmann.py (ScriptTestCase) ... ok
md.py (ScriptTestCase) ... ok
n2.py (ScriptTestCase) ... ok
neb.py (ScriptTestCase) ... ok
neighbor.py (ScriptTestCase) ... ok
noncollinear.py (ScriptTestCase) ... ok
properties.py (ScriptTestCase) ... ok
pull.py (ScriptTestCase) ... ok
repeat_FixAtoms.py (ScriptTestCase) ... ok
replay.py (ScriptTestCase) ... ok
rotate.py (ScriptTestCase) ... ok
rotate_euler.py (ScriptTestCase) ... ok
scaled_positions.py (ScriptTestCase) ... ok
stm.py (ScriptTestCase) ... ok
strain.py (ScriptTestCase) ... ok
strain_emt.py (ScriptTestCase) ... ok
things.py (ScriptTestCase) ... ok
unitcellfilter.py (ScriptTestCase) ... ok
vacancy.py (ScriptTestCase) ... ok
verlet.py (ScriptTestCase) ... ok
vib.py (ScriptTestCase) ... ok
vtk_data.py (ScriptTestCase) ... ERROR
vtk_pipeline.py (ScriptTestCase) ... ok
abinit\abinit_cmdline.py (ScriptTestCase) ... ok
castep\castep_interface.py (ScriptTestCase) ... which: no castep in 
(C:\Python27
\lib\site-packages\gtk-2.0\runtime\bin;C:\Python27\Lib\site-packages\PyQt4;C:\us
r\local\wbin\;C:\Program Files\MiKTeX 
2.9\miktex\bin;C:\windows\system32;C:\wind
ows;C:\windows\System32\Wbem;C:\windows\System32\WindowsPowerShell\v1.0\;C:\Prog
ram Files\Common Files\Roxio Shared\10.0\DLLShared\;C:\Program Files\Common 
File
s\Roxio Shared\DLLShared\;C:\Program Files\Softex\OmniPass;C:\Program 
Files\Fuji
tsu\FJFP\;C:\Program Files\WinSCP\;C:\Program Files\PuTTY;C:\Program 
Files\Samsu
ng\Samsung PC Studio 3\;C:\Program Files\Symantec\pcAnywhere\;C:\Program 
Files\Q
uickTime\QTSystem\;C:\Program Files\Quest Software\vWorkspace 
Client\pntsc.exe;C
:\Python27;C:\Python27\DLLs;C:\Python27\Scripts;C:\Python27\Lib\site-packages\vt
k;C:\Python27\gnuplot\binary;C:\Program Files\pythonxy\SciTE-3.1.0;C:\Program 
Fi
les\pythonxy\console;C:\MinGW32-xy\bin)
ok
cmr\ase_rw.py (ScriptTestCase) ... ok
cmr\cmr_rw.py (ScriptTestCase) ... ok
cmr\reactions.py (ScriptTestCase) ... ok
cmr\reactions_run.py (ScriptTestCase) ... ok
cmr\reactions_test.py (ScriptTestCase) ... ok
cmr\reactions_xsimple.py (ScriptTestCase) ... ok
cmr\rw.py (ScriptTestCase) ... ok
elk\elk_cmdline.py (ScriptTestCase) ... ok
fio\abinit.py (ScriptTestCase) ... ok
fio\info.py (ScriptTestCase) ... ok
fio\magmom.py (ScriptTestCase) ... ok
fio\netcdf.py (ScriptTestCase) ... ERROR
fio\oi.py (ScriptTestCase) ... FAIL
fio\oldtraj.py (ScriptTestCase) ... ok
fio\trajectory.py (ScriptTestCase) ... ERROR
fio\v_sim.py (ScriptTestCase) ... ok
fleur\fleur_cmdline.py (ScriptTestCase) ... ok
jacapo\jacapo.py (ScriptTestCase) ... ok
nwchem\nwchem_cmdline.py (ScriptTestCase) ... ok
vasp\vasp_Al_volrelax.py (ScriptTestCase) ... ok
vasp\vasp_co.py (ScriptTestCase) ... ok
COCu111.py (ScriptTestCase) ... 
C:\Python27\lib\site-packages\matplotlib\backend
s\backend_gdk.py:291: PangoWarning: couldn't load font "Bitstream Vera Sans 
Not-
Rotated 10", falling back to "Sans Not-Rotated 10", expect ugly output.
   inkRect, logicalRect = layout.get_pixel_extents()
C:\Python27\lib\site-packages\matplotlib\backends\backend_gdk.py:291: 
PangoWarni
ng: couldn't load font "Bitstream Vera Sans Not-Rotated 12", falling back to 
"Sa
ns Not-Rotated 12", expect ugly output.
   inkRect, logicalRect = layout.get_pixel_extents()