[ase-users] test failure
Panu Sam-Ang
panu.sam-ang at stonybrook.edu
Wed May 17 23:39:26 CEST 2017
Hello,
I had ASE working 1.5 months ago and then I ran ase.test file again and got
the following error messages. (see below). Can anyone help? Should I
reinstall ASE?
python -m ase.test
platform Darwin-15.6.0-x86_64-i386-64bit
python-2.7.13 /usr/local/opt/python/bin/python2.7
ase-3.13.0 ase/
numpy-1.12.0 numpy/
scipy-0.18.1 scipy/
test-dir
/var/folders/91/8jq6bv5n6jng53_lyqk7111r0000gn/T/ase-test-rgDaFT
Ag-Cu100.py ... ERROR
CO2_Au111.py ... ERROR
COCu111.py ... ERROR
COCu111_2.py ... ERROR
ag.py ... ERROR
atom.py ... ok
atoms_distance.py ... ok
atoms_get_duplicates.py ... ERROR
atoms_info_copy.py ... ok
bader.py ... ERROR
bandgap.py ... ERROR
bandstructure.py ... ERROR
basin.py ... ERROR
build.py ... ok
bulk.py ... ERROR
c60.py ... ERROR
center.py ... ERROR
checkpoint.py ... ERROR
com.py ... ok
coverage.py ... ok
crystal.py ... ERROR
db.py ... ERROR
db2.py ... ERROR
db_web.py ... ERROR
dependency_gtk.py ... ok
dependency_matplotlib.py ... ok
dihedralconstraint.py ... ERROR
dimer.py ... ERROR
dimer_method.py ... ERROR
distance.py ... ok
distmom.py ... ok
doctests.py ... ERROR
eam_pot.py ... ok
eam_pot_test.py ... ERROR
eam_test.py ... ERROR
emt.py ... ERROR
emt1.py ... ERROR
emt2.py ... ERROR
emt_h3o2m.py ... ERROR
eos.py ... ERROR
example.py ... ERROR
external_force.py ... ERROR
filter.py ... ERROR
fire.py ... ERROR
fix_bond_length_mic.py ... ERROR
franck_condon.py ... ERROR
geometry.py ... ERROR
h2.py ... ERROR
hcp.py ... ERROR
hookean.py ... ERROR
idpp.py ... ERROR
kpts.py ... ok
langevin.py ... ERROR
maxwellboltzmann.py ... ERROR
md.py ... ERROR
mic.py ... ok
minimahop.py ... ERROR
mopac.py ... ERROR
n2.py ... ERROR
neb.py ... ERROR
neb_tr.py ... ERROR
neighbor.py ... ERROR
niggli.py ... ERROR
noncollinear.py ... ok
pourbaix.py ... skipped ok
preconlbfgs.py ... ERROR
properties.py ... ok
pull.py ... ERROR
qmmm.py ... ERROR
quaternions.py ... ERROR
rattle.py ... ERROR
repeat_FixAtoms.py ... ERROR
replay.py ... ERROR
root_test.py ... ERROR
rotate.py ... ok
rotate_euler.py ... ok
s22.py ... ERROR
scaled_positions.py ... ok
scientificpython_bug.py ... skipped (no Scientific module) ok
set_get_angle.py ... ok
set_momenta.py ... ok
singlepointcalc.py ... ERROR
stm.py ... ERROR
strain.py ... ERROR
strain_emt.py ... ERROR
stress.py ... ERROR
surface.py ... ERROR
thermochemistry.py ... ERROR
things.py ... ERROR
tip3p.py ... ERROR
unitcellfilter.py ... ERROR
unitcellfilter2.py ... ERROR
units.py ... ERROR
vacancy.py ... ERROR
verlet.py ... ERROR
vib.py ... ERROR
abinit/abinit_Si.py ... skipped (use --calculators=abinit to enable) ok
abinit/abinit_cmdline.py ... ok
aims/H2O_aims.py ... ERROR
aims/aims_cmdline.py ... skipped (use --calculators=aims to enable) ok
amber/amber.py ... skipped (use --calculators=amber to enable) ok
calculator/al.py ... ERROR
calculator/bandgap.py ... ERROR
calculator/h2.py ... ERROR
calculator/kd2mp.py ... ok
calculator/traj.py ... ERROR
castep/castep_interface.py ... ERROR
constraints/fixatoms.py ... ok
constraints/fixbonds.py ... ok
constraints/getindices.py ... ERROR
constraints/setpos.py ... ERROR
cp2k/cp2k_GeoOpt.py ... ERROR
cp2k/cp2k_H2_LDA.py ... ERROR
cp2k/cp2k_H2_LS.py ... ERROR
cp2k/cp2k_H2_None.py ... ERROR
cp2k/cp2k_H2_PBE.py ... ERROR
cp2k/cp2k_H2_libxc.py ... ERROR
cp2k/cp2k_MD.py ... ERROR
cp2k/cp2k_O2.py ... ERROR
cp2k/cp2k_restart.py ... ERROR
cp2k/cp2k_stress.py ... ERROR
demon/h2o.py ... ERROR
dft/bandgap.py ... ERROR
dftb/test_simple.py ... ERROR
dftb/test_tricky.py ... ERROR
elk/Al_rmt.py ... ERROR
elk/elk_cmdline.py ... skipped (use --calculators=elk to enable) ok
eon/eon_masses.py ... ERROR
eon/eon_readwrite.py ... ERROR
exciting/exciting.py ... ERROR
fio/abinit.py ... ERROR
fio/cfg.py ... ERROR
fio/extxyz.py ... ERROR
fio/info.py ... ok
fio/jsonio.py ... ok
fio/magmom.py ... ok
fio/netcdftrajectory.py ... skipped (No NetCDF module available
(netCDF4-python, scipy.io.netcdf)) ok
fio/nwchem.py ... ERROR
fio/oi.py ... ERROR
fio/oldtraj.py ... ok
fio/res.py ... ERROR
fio/trajectory.py ... ok
fio/ulm.py ... ok
fio/v_sim.py ... ERROR
fio/vasp_out.py ... ERROR
fio/xsf_spec.py ... ok
fleur/fleur_cmdline.py ... skipped (use --calculators=fleur to enable) ok
ga/basic_example_create_database.py ... ERROR
ga/basic_example_main_run.py ... ERROR
ga/create_database.py ... ERROR
ga/cutandsplicepairing.py ... ERROR
ga/database_logic.py ... ERROR
ga/element_operators.py ... ERROR
ga/mutations.py ... ERROR
ga/particle_comparators.py ... ERROR
ga/particle_operators.py ... ERROR
ga/standardcomparator.py ... ERROR
ga/utilities.py ... ERROR
gaussian/gaussian_cmdline.py ... ERROR
gaussian/h2of.py ... skipped (use --calculators=gaussian to enable) ok
gaussian/water.py ... ERROR
gpaw/no_spin_and_spin.py ... ERROR
gromacs/test_gromacs.py ... skipped (use --calculators=gromacs to enable) ok
gui/run.py ... ERROR
gui/ui.py ... skipped ok
jacapo/jacapo.py ... ERROR
lammpsdata/lammpsdata.py ... ERROR
nwchem/nwchem_broken_symmetry.py ... skipped (use --calculators=nwchem to
enable) ok
nwchem/nwchem_cmdline.py ... ERROR
nwchem/nwchem_h3o2m.py ... ERROR
nwchem/nwchem_spin_symmetry.py ... skipped (use --calculators=nwchem to
enable) ok
nwchem/nwchem_strong_levelshift.py ... ok
octopus/big-test.py ... ERROR
octopus/restart-octopus.py ... ERROR
octopus/test-octopus.py ... ERROR
onetep/onetep.py ... ERROR
siesta/siesta.py ... skipped (use --calculators=siesta to enable) ok
turbomole/turbomole_H2.py ... skipped (use --calculators=turbomole to
enable) ok
turbomole/turbomole_h3o2m.py ... ERROR
vasp/vasp_Al_volrelax.py ... ERROR
vasp/vasp_cell.py ... ERROR
vasp/vasp_co.py ... ERROR
vasp/vasp_kpoints.py ... ERROR
vasp/vasp_xc.py ... skipped (use --calculators=vasp to enable) ok
vasp/vasp_xml.py ... ERROR
======================================================================
ERROR: Ag-Cu100.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/Ag-Cu100.py", line
3, in <module>
from ase.neb import NEB
ImportError: No module named neb
======================================================================
ERROR: CO2_Au111.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/CO2_Au111.py",
line 3, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: COCu111.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/COCu111.py", line
3, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: COCu111_2.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/COCu111_2.py",
line 4, in <module>
from ase.optimize import BFGS
ImportError: No module named optimize
======================================================================
ERROR: ag.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ag.py",
line 5, in <module>
from ase.gui.ag import main
ImportError: No module named gui.ag
======================================================================
ERROR: atoms_get_duplicates.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/atoms_get_duplicates.py",
line 10, in <module>
dups = get_duplicate_atoms(at)
File "ase/geometry/geometry.py", line 200, in get_duplicate_atoms
from scipy.spatial.distance import pdist
ImportError: No module named spatial.distance
======================================================================
ERROR: bader.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/bader.py",
line 3, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: bandgap.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/bandgap.py", line
2, in <module>
from ase.dft.bandgap import get_band_gap
ImportError: No module named bandgap
======================================================================
ERROR: bandstructure.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/bandstructure.py",
line 1, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: basin.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/basin.py",
line 3, in <module>
from ase.calculators.lj import LennardJones
ImportError: No module named lj
======================================================================
ERROR: bulk.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/bulk.py",
line 1, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: c60.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/c60.py",
line 3, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: center.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/center.py",
line 6, in <module>
from ase.lattice.cubic import FaceCenteredCubic
ImportError: No module named lattice.cubic
======================================================================
ERROR: checkpoint.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/checkpoint.py",
line 6, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: crystal.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/crystal.py", line
3, in <module>
from ase.spacegroup import crystal
ImportError: No module named spacegroup
======================================================================
ERROR: db.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/db.py",
line 2, in <module>
from ase.db import connect
ImportError: No module named db
======================================================================
ERROR: db2.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/db2.py",
line 4, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: db_web.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/db_web.py",
line 2, in <module>
from ase.db import connect
ImportError: No module named db
======================================================================
ERROR: dihedralconstraint.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/dihedralconstraint.py",
line 3, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: dimer.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/dimer.py",
line 2, in <module>
from ase.calculators.lj import LennardJones
ImportError: No module named lj
======================================================================
ERROR: dimer_method.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/dimer_method.py",
line 1, in <module>
from ase.build import fcc100, add_adsorbate
ImportError: No module named build
======================================================================
ERROR: doctests.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/doctests.py", line
10, in <module>
from ase.collections import collection
ImportError: No module named collections
======================================================================
ERROR: eam_pot_test.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/eam_pot_test.py",
line 4, in <module>
from ase.calculators.eam import EAM
ImportError: No module named eam
======================================================================
ERROR: eam_test.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/eam_test.py", line
3, in <module>
from ase.calculators.eam import EAM
ImportError: No module named eam
======================================================================
ERROR: emt.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/emt.py",
line 2, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: emt1.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/emt1.py",
line 2, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: emt2.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/emt2.py",
line 1, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: emt_h3o2m.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/emt_h3o2m.py",
line 4, in <module>
from ase.neb import NEB
ImportError: No module named neb
======================================================================
ERROR: eos.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/eos.py",
line 3, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: example.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/example.py", line
4, in <module>
from ase.optimize import QuasiNewton
ImportError: No module named optimize
======================================================================
ERROR: external_force.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/external_force.py",
line 4, in <module>
from ase.optimize import FIRE
ImportError: No module named optimize
======================================================================
ERROR: filter.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/filter.py",
line 3, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: fire.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fire.py",
line 3, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: fix_bond_length_mic.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fix_bond_length_mic.py",
line 2, in <module>
from ase.calculators.lj import LennardJones
ImportError: No module named lj
======================================================================
ERROR: franck_condon.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/franck_condon.py",
line 5, in <module>
from ase.vibrations.franck_condon import FranckCondonOverlap
ImportError: No module named vibrations.franck_condon
======================================================================
ERROR: geometry.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/geometry.py", line
7, in <module>
from ase.build import cut, bulk
ImportError: No module named build
======================================================================
ERROR: h2.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/h2.py",
line 2, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: hcp.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/hcp.py",
line 3, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: hookean.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/hookean.py", line
10, in <module>
from ase.build import fcc110
ImportError: No module named build
======================================================================
ERROR: idpp.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/idpp.py",
line 1, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: langevin.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/langevin.py", line
3, in <module>
from ase.calculators.test import TestPotential
ImportError: No module named test
======================================================================
ERROR: maxwellboltzmann.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/maxwellboltzmann.py",
line 1, in <module>
from ase.md.velocitydistribution import MaxwellBoltzmannDistribution
ImportError: No module named md.velocitydistribution
======================================================================
ERROR: md.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/md.py",
line 2, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: minimahop.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/minimahop.py",
line 2, in <module>
from ase.build import fcc111
ImportError: No module named build
======================================================================
ERROR: mopac.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/mopac.py",
line 2, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: n2.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/n2.py",
line 2, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: neb.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/neb.py",
line 4, in <module>
from ase.neb import NEB, NEBTools
ImportError: No module named neb
======================================================================
ERROR: neb_tr.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/neb_tr.py",
line 1, in <module>
from ase.calculators.lj import LennardJones
ImportError: No module named lj
======================================================================
ERROR: neighbor.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/neighbor.py", line
4, in <module>
from ase.neighborlist import NeighborList
ImportError: No module named neighborlist
======================================================================
ERROR: niggli.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/niggli.py",
line 9, in <module>
from ase.build import niggli_reduce
ImportError: No module named build
======================================================================
ERROR: preconlbfgs.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/preconlbfgs.py",
line 3, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: pull.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/pull.py",
line 3, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: qmmm.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/qmmm.py",
line 8, in <module>
from ase.calculators.tip3p import (TIP3P, epsilon0, sigma0, rOH,
thetaHOH,
ImportError: No module named tip3p
======================================================================
ERROR: quaternions.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/quaternions.py",
line 2, in <module>
from ase.quaternions import Quaternion
ImportError: No module named quaternions
======================================================================
ERROR: rattle.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/rattle.py",
line 2, in <module>
from ase.calculators.tip3p import (TIP3P, epsilon0, sigma0, rOH,
thetaHOH,
ImportError: No module named tip3p
======================================================================
ERROR: repeat_FixAtoms.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/repeat_FixAtoms.py",
line 1, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: replay.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/replay.py",
line 4, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: root_test.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/root_test.py",
line 1, in <module>
from ase.build import fcc111
ImportError: No module named build
======================================================================
ERROR: s22.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/s22.py",
line 1, in <module>
from ase.collections import s22
ImportError: No module named collections
======================================================================
ERROR: singlepointcalc.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/singlepointcalc.py",
line 6, in <module>
from ase.build import fcc111
ImportError: No module named build
======================================================================
ERROR: stm.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/stm.py",
line 1, in <module>
from ase.calculators.test import make_test_dft_calculation
ImportError: No module named test
======================================================================
ERROR: strain.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/strain.py",
line 4, in <module>
from ase.optimize.mdmin import MDMin
ImportError: No module named optimize.mdmin
======================================================================
ERROR: strain_emt.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/strain_emt.py",
line 6, in <module>
from ase.optimize.mdmin import MDMin
ImportError: No module named optimize.mdmin
======================================================================
ERROR: stress.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/stress.py",
line 3, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: surface.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/surface.py", line
4, in <module>
from ase.build import fcc111, fcc211, add_adsorbate
ImportError: No module named build
======================================================================
ERROR: thermochemistry.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/thermochemistry.py",
line 5, in <module>
from ase.build import fcc100, add_adsorbate
ImportError: No module named build
======================================================================
ERROR: things.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/things.py",
line 10, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: tip3p.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/tip3p.py",
line 5, in <module>
from ase.calculators.tip3p import TIP3P, rOH, thetaHOH,
set_tip3p_charges
ImportError: No module named tip3p
======================================================================
ERROR: unitcellfilter.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/unitcellfilter.py",
line 3, in <module>
from ase.optimize import LBFGS
ImportError: No module named optimize
======================================================================
ERROR: unitcellfilter2.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/unitcellfilter2.py",
line 3, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: units.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/units.py",
line 52, in <module>
test_units()
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/units.py",
line 9, in test_units
import scipy.constants.codata
ImportError: No module named constants.codata
======================================================================
ERROR: vacancy.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/vacancy.py", line
2, in <module>
from ase.optimize import QuasiNewton
ImportError: No module named optimize
======================================================================
ERROR: verlet.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/verlet.py",
line 3, in <module>
from ase.calculators.test import TestPotential
ImportError: No module named test
======================================================================
ERROR: vib.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/vib.py",
line 3, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: aims/H2O_aims.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/aims/H2O_aims.py",
line 3, in <module>
from ase.optimize import QuasiNewton
ImportError: No module named optimize
======================================================================
ERROR: calculator/al.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/calculator/al.py",
line 2, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: calculator/bandgap.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/calculator/bandgap.py",
line 2, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: calculator/h2.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/calculator/h2.py",
line 2, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: calculator/traj.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/calculator/traj.py",
line 5, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: castep/castep_interface.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/castep/castep_interface.py",
line 6, in <module>
import ase.lattice.cubic
ImportError: No module named lattice.cubic
======================================================================
ERROR: constraints/getindices.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/constraints/getindices.py",
line 1, in <module>
from ase.build import fcc111
ImportError: No module named build
======================================================================
ERROR: constraints/setpos.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/constraints/setpos.py",
line 2, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: cp2k/cp2k_GeoOpt.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_GeoOpt.py",
line 13, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: cp2k/cp2k_H2_LDA.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_LDA.py",
line 13, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: cp2k/cp2k_H2_LS.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_LS.py",
line 13, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: cp2k/cp2k_H2_None.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_None.py",
line 13, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: cp2k/cp2k_H2_PBE.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_PBE.py",
line 14, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: cp2k/cp2k_H2_libxc.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_libxc.py",
line 14, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: cp2k/cp2k_MD.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_MD.py",
line 15, in <module>
from ase.md.velocitydistribution import MaxwellBoltzmannDistribution
ImportError: No module named md.velocitydistribution
======================================================================
ERROR: cp2k/cp2k_O2.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_O2.py",
line 13, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: cp2k/cp2k_restart.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_restart.py",
line 13, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: cp2k/cp2k_stress.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/cp2k/cp2k_stress.py",
line 14, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: demon/h2o.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/demon/h2o.py",
line 3, in <module>
from ase.optimize import BFGS
ImportError: No module named optimize
======================================================================
ERROR: dft/bandgap.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/dft/bandgap.py",
line 1, in <module>
from ase.dft.bandgap import get_band_gap
ImportError: No module named bandgap
======================================================================
ERROR: dftb/test_simple.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/dftb/test_simple.py",
line 7, in <module>
from ase.test.dftb import installed
ImportError: No module named dftb
======================================================================
ERROR: dftb/test_tricky.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/dftb/test_tricky.py",
line 11, in <module>
from ase.optimize import QuasiNewton
ImportError: No module named optimize
======================================================================
ERROR: elk/Al_rmt.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/elk/Al_rmt.py",
line 4, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: eon/eon_masses.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/eon/eon_masses.py",
line 8, in <module>
import ase.lattice.compounds
ImportError: No module named lattice.compounds
======================================================================
ERROR: eon/eon_readwrite.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/eon/eon_readwrite.py",
line 235, in <module>
box = ase.io.read(con_file, format='eon')
File "ase/io/formats.py", line 297, in read
io = get_ioformat(format)
File "ase/io/formats.py", line 187, in get_ioformat
initialize(format)
File "ase/io/formats.py", line 170, in initialize
% (format, err))
ValueError: File format not recognized: eon. Error: No module named eon
======================================================================
ERROR: exciting/exciting.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/exciting/exciting.py",
line 3, in <module>
from ase.calculators.exciting import Exciting
ImportError: No module named exciting
======================================================================
ERROR: fio/abinit.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fio/abinit.py",
line 8, in <module>
from ase.calculators.emt import EMT
ImportError: No module named emt
======================================================================
ERROR: fio/cfg.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fio/cfg.py", line
3, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: fio/extxyz.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fio/extxyz.py",
line 11, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: fio/nwchem.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fio/nwchem.py",
line 3, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: fio/oi.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fio/oi.py",
line 81, in <module>
io = get_ioformat(format)
File "ase/io/formats.py", line 187, in get_ioformat
initialize(format)
File "ase/io/formats.py", line 170, in initialize
% (format, err))
ValueError: File format not recognized: castep-castep. Error: No module
named castep
======================================================================
ERROR: fio/res.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fio/res.py", line
4, in <module>
from ase.io.res import Res, read_res, write_res
ImportError: No module named res
======================================================================
ERROR: fio/v_sim.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fio/v_sim.py",
line 23, in <module>
atoms = read(dest, format='v-sim')
File "ase/io/formats.py", line 297, in read
io = get_ioformat(format)
File "ase/io/formats.py", line 187, in get_ioformat
initialize(format)
File "ase/io/formats.py", line 170, in initialize
% (format, err))
ValueError: File format not recognized: v-sim. Error: No module named v_sim
======================================================================
ERROR: fio/vasp_out.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/fio/vasp_out.py",
line 3942, in <module>
a1 = read('OUTCAR', force_consistent=True)
File "ase/io/formats.py", line 297, in read
io = get_ioformat(format)
File "ase/io/formats.py", line 187, in get_ioformat
initialize(format)
File "ase/io/formats.py", line 170, in initialize
% (format, err))
ValueError: File format not recognized: vasp-out. Error: No module named
vasp
======================================================================
ERROR: ga/basic_example_create_database.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/basic_example_create_database.py",
line 1, in <module>
from ase.ga.data import PrepareDB
ImportError: No module named ga.data
======================================================================
ERROR: ga/basic_example_main_run.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/basic_example_main_run.py",
line 3, in <module>
from ase.optimize import BFGS
ImportError: No module named optimize
======================================================================
ERROR: ga/create_database.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/create_database.py",
line 1, in <module>
from ase.ga.data import PrepareDB
ImportError: No module named ga.data
======================================================================
ERROR: ga/cutandsplicepairing.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/cutandsplicepairing.py",
line 1, in <module>
from ase.ga.startgenerator import StartGenerator
ImportError: No module named ga.startgenerator
======================================================================
ERROR: ga/database_logic.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/database_logic.py",
line 1, in <module>
from ase.ga.data import PrepareDB
ImportError: No module named ga.data
======================================================================
ERROR: ga/element_operators.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/element_operators.py",
line 2, in <module>
from ase.ga.element_crossovers import OnePointElementCrossover
ImportError: No module named ga.element_crossovers
======================================================================
ERROR: ga/mutations.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/mutations.py",
line 1, in <module>
from ase.ga.startgenerator import StartGenerator
ImportError: No module named ga.startgenerator
======================================================================
ERROR: ga/particle_comparators.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/particle_comparators.py",
line 1, in <module>
from ase.cluster import Icosahedron
ImportError: No module named cluster
======================================================================
ERROR: ga/particle_operators.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/particle_operators.py",
line 1, in <module>
from ase.cluster import Icosahedron
ImportError: No module named cluster
======================================================================
ERROR: ga/standardcomparator.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/standardcomparator.py",
line 1, in <module>
from ase.ga.standard_comparators import (InteratomicDistanceComparator,
ImportError: No module named ga.standard_comparators
======================================================================
ERROR: ga/utilities.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/ga/utilities.py",
line 4, in <module>
from ase.cluster import Icosahedron
ImportError: No module named cluster
======================================================================
ERROR: gaussian/gaussian_cmdline.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/gaussian/gaussian_cmdline.py",
line 2, in <module>
from ase.db import connect
ImportError: No module named db
======================================================================
ERROR: gaussian/water.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/gaussian/water.py",
line 3, in <module>
from ase.optimize.lbfgs import LBFGS
ImportError: No module named optimize.lbfgs
======================================================================
ERROR: gpaw/no_spin_and_spin.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/gpaw/no_spin_and_spin.py",
line 1, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: gui/run.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/gui/run.py", line
9, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: jacapo/jacapo.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/jacapo/jacapo.py",
line 5, in <module>
from ase.calculators.jacapo import Jacapo
ImportError: No module named jacapo
======================================================================
ERROR: lammpsdata/lammpsdata.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/lammpsdata/lammpsdata.py",
line 62, in <module>
at = ase.io.read(input, format="lammps-data")
File "ase/io/formats.py", line 297, in read
io = get_ioformat(format)
File "ase/io/formats.py", line 187, in get_ioformat
initialize(format)
File "ase/io/formats.py", line 170, in initialize
% (format, err))
ValueError: File format not recognized: lammps-data. Error: No module
named lammpsdata
======================================================================
ERROR: nwchem/nwchem_cmdline.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/nwchem/nwchem_cmdline.py",
line 2, in <module>
from ase.db import connect
ImportError: No module named db
======================================================================
ERROR: nwchem/nwchem_h3o2m.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/nwchem/nwchem_h3o2m.py",
line 4, in <module>
from ase.neb import NEB
ImportError: No module named neb
======================================================================
ERROR: octopus/big-test.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/octopus/big-test.py",
line 6, in <module>
from ase.collections import g2
ImportError: No module named collections
======================================================================
ERROR: octopus/restart-octopus.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/octopus/restart-octopus.py",
line 4, in <module>
from ase.calculators.interfacechecker import check_interface
ImportError: No module named interfacechecker
======================================================================
ERROR: octopus/test-octopus.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/octopus/test-octopus.py",
line 6, in <module>
from ase.calculators.interfacechecker import check_interface
ImportError: No module named interfacechecker
======================================================================
ERROR: onetep/onetep.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/onetep/onetep.py",
line 1, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: turbomole/turbomole_h3o2m.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/turbomole/turbomole_h3o2m.py",
line 7, in <module>
from ase.neb import NEB
ImportError: No module named neb
======================================================================
ERROR: vasp/vasp_Al_volrelax.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/vasp/vasp_Al_volrelax.py",
line 8, in <module>
from ase.test.vasp import installed
ImportError: No module named vasp
======================================================================
ERROR: vasp/vasp_cell.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/vasp/vasp_cell.py",
line 8, in <module>
from ase.build import molecule
ImportError: No module named build
======================================================================
ERROR: vasp/vasp_co.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/vasp/vasp_co.py",
line 8, in <module>
from ase.test.vasp import installed
ImportError: No module named vasp
======================================================================
ERROR: vasp/vasp_kpoints.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/vasp/vasp_kpoints.py",
line 11, in <module>
from ase.build import bulk
ImportError: No module named build
======================================================================
ERROR: vasp/vasp_xml.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "ase/test/__init__.py", line 51, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File
"/Users/Panu/.local/lib/python2.7/site-packages/ase/test/vasp/vasp_xml.py",
line 9, in <module>
from ase.test.vasp import installed
ImportError: No module named vasp
----------------------------------------------------------------------
Ran 185 tests in 1.360s
FAILED (errors=137)
Thanks,
Panu
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