[ase-users] cannot import name minpack2
Bernd Hartke
hartke at pctc.uni-kiel.de
Wed Apr 17 10:49:41 CEST 2013
Dear ASE users,
on an openSuSE-12.1 64bitlinux system, I have just installed
ASE3.6.0.2515-74.1 from the distro via zypper (as recommended on
https://wiki.fysik.dtu.dk/ase/download.html), after installing what was
missing from the prerequisites (as listed on the same page). I did have
some trouble in testing SciPy, but hoped that that may have beencaused
by my inability to installnose1.3.0 properly (for testing)and that this
did not affect SciPy itselfand that all this maybe irrelevant anyway
since ASE lists SciPy as recommended but not necessary prerequisite.
All ASE tests run fine except hcp.py, which complains about
ImportError: cannot import name minpack2
I am appending the testase.log filebelow.
Is this failure a direct outcome of an incorrectly/incompletely
installed SciPy, or is it something else?
Note that I have no prior experience with python whatsoever, to the
point of not knowing how to set PYTHONPATH properly. Confusingly, I note
that on my system there are two different python versions (2.7 and 3.2,
the default one being 2.7), which may or may not have anything to do
withthe above failure.
Any hints are very welcome!
Bernd
------------------------snip----------------------------------
python 2.7.2 GCC 64bit ELF on Linux x86_64 SuSE 12.1
x86_64
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) ...
ok
build.py (ScriptTestCase) ...
ok
center.py (ScriptTestCase) ...
ok
cmdline.py (ScriptTestCase) ...
ok
com.py (ScriptTestCase) ...
ok
coverage.py (ScriptTestCase) ...
ok
crystal.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) ... ok
vtk_pipeline.py (ScriptTestCase) ... ok
abinit_cmdline.py (ScriptTestCase) ... ok
castep_interface.py (ScriptTestCase) ... which: no castep in
(/home/hartke/vmd/bin:/home/hartke/tinker_v5.1.09/source:/home/hartke/ADF/source/adfhome/bin:/home/hartke/mpich2_install/bin:/opt/intel/composer_xe_2011_sp1.12.361/bin/intel64:/home/hartke/turbomole/TURBOMOLE/scripts:/home/hartke/turbomole/TURBOMOLE/bin/x86_64-unknown-linux-gnu:/home/hartke/orca/orca/x86_exe:/home/hartke/mopac2009:/home/hartke/g09/gv:/home/hartke/jdk1.7.0_15/bin:/opt/pgi/linux86-64/11.9/bin:/home/hartke/vmd/bin:/home/hartke/tinker_v5.1.09/source:/home/hartke/ADF/source/adfhome/bin:/home/hartke/mpich2_install/bin:/opt/intel/composer_xe_2011_sp1.12.361/bin/intel64:/home/hartke/turbomole/TURBOMOLE/scripts:/home/hartke/turbomole/TURBOMOLE/bin/x86_64-unknown-linux-gnu:/home/hartke/orca/orca/x86_exe:/home/hartke/mopac2009:/home/hartke/g09/gv:/home/hartke/jdk1.7.0_15/bin:/opt/pgi/linux86-64/11.9/bin:/usr/lib64/mpi/gcc/openmpi/bin:/home/hartke/bin:/usr/local/bin:/usr/bin:/bin:/usr/games:/usr/X11R6/bin:/usr/bin/X11:/opt/kde3/bin:/home/hartke/g09/g09/bsd:/home/hartke/g09/g09/local:/home/hartke/g09/g09/extras:/home/hartke/g09/g09:/home/hartke/molpro/Molpro/bin:/home/hartke/xmakemol-5.16:/usr/local/dislin/bin:/opt/intel/composer_xe_2011_sp1.12.361/mpirt/bin/intel64:/home/hartke/g09/g09/bsd:/home/hartke/g09/g09/local:/home/hartke/g09/g09/extras:/home/hartke/g09/g09:/home/hartke/molpro/Molpro/bin:/home/hartke/xmakemol-5.16:/usr/local/dislin/bin:/opt/intel/composer_xe_2011_sp1.12.361/mpirt/bin/intel64)
ok
ase_rw.py (ScriptTestCase) ... ok
cmr_rw.py (ScriptTestCase) ... ok
reactions.py (ScriptTestCase) ... ok
reactions_run.py (ScriptTestCase) ... ok
reactions_test.py (ScriptTestCase) ... ok
reactions_xsimple.py (ScriptTestCase) ... ok
rw.py (ScriptTestCase) ... ok
elk_cmdline.py (ScriptTestCase) ... ok
abinit.py (ScriptTestCase) ... ok
info.py (ScriptTestCase) ... ok
magmom.py (ScriptTestCase) ... ok
netcdf.py (ScriptTestCase) ... ok
oi.py (ScriptTestCase) ... ok
oldtraj.py (ScriptTestCase) ... ok
trajectory.py (ScriptTestCase) ... ok
v_sim.py (ScriptTestCase) ... ok
fleur_cmdline.py (ScriptTestCase) ... ok
jacapo.py (ScriptTestCase) ... ok
nwchem_cmdline.py (ScriptTestCase) ... ok
vasp_Al_volrelax.py (ScriptTestCase) ... ok
vasp_co.py (ScriptTestCase) ... ok
COCu111.py (ScriptTestCase) ... ok
======================================================================
ERROR: hcp.py (ScriptTestCase)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/usr/lib/python2.7/site-packages/ase/test/__init__.py", line 54,
in testfile
execfile(self.filename, {'display': self.display})
File "/usr/lib/python2.7/site-packages/ase/test/hcp.py", line 30, in
<module>
from scipy.optimize import fmin_bfgs
File
"/usr/local/lib64/python2.7/site-packages/scipy/optimize/__init__.py",
line 146, in <module>
File
"/usr/local/lib64/python2.7/site-packages/scipy/optimize/optimize.py",
line 34, in <module>
File
"/usr/local/lib64/python2.7/site-packages/scipy/optimize/linesearch.py",
line 16, in <module>
ImportError: cannot import name minpack2
----------------------------------------------------------------------
Ran 71 tests in 55.184s
FAILED (errors=1)
------------------------snap---------------------------------
--
Prof. Dr. Bernd Hartke e-mail: hartke at pctc.uni-kiel.de
Theoretical Chemistry phone : +49-431-880-2753
Institute for Physical Chemistry fax : +49-431-880-1758
University of Kiel http://ravel.pctc.uni-kiel.de/
Olshausenstrasse 40
24098 Kiel
GERMANY
---------------------------------------------------
NOTE: e-mail address/domain change: phc --> pctc !
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