[ase-users] errors in ASE test
Cara Kohler
cara.kohler at tum.de
Wed Oct 2 16:03:05 CEST 2024
Hello Adam,
I got the following error, when running the ase test command:
cara at debian:~/Nanoreactor$ ase test
About to run pytest with these parameters:
=============================== test session starts ===============================
platform linux -- Python 3.9.18, pytest-8.3.3, pluggy-1.5.0
PySide2 5.15.2.1 -- Qt runtime 5.15.2 -- Qt compiled 5.15.2
Libraries
=========
ase-3.23.0 /home/cara/.local/lib/python3.9/site-packages/ase
numpy-1.26.4 /home/cara/.local/lib/python3.9/site-packages/numpy
scipy-1.13.1 /home/cara/.local/lib/python3.9/site-packages/scipy
matplotlib-3.9.2 /home/cara/.local/lib/python3.9/site-packages/matplotlib
spglib-2.5.0 /home/cara/.local/lib/python3.9/site-packages/spglib
ase_ext-20.9.0 /home/cara/.local/lib/python3.9/site-packages/ase_ext
flask-3.0.3 /home/cara/.local/lib/python3.9/site-packages/flask
psycopg2 not installed
pyamg-5.2.1 /home/cara/.local/lib/python3.9/site-packages/pyamg
Calculators
===========
Config: No configuration file specified
Datafiles: ase-datafiles package not installed
[ ] abinit not installed: 'abinit'
[ ] ace cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] aims not installed: 'aims'
[ ] amber cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] asap not installed: asap3
[ ] castep not installed: 'castep'
[ ] cp2k not installed: 'cp2k'
[ ] crystal cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] demon cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] demonnano cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] dftb not installed: No 'dftb' section
[ ] dftd3 not installed: 'dftd3'
[ ] dmol cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] elk not installed: No 'elk' section
[ ] espresso not installed: 'espresso'
[ ] exciting not installed: 'exciting'
[ ] gamess_us cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] gaussian cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] gpaw not installed: gpaw
[ ] gromacs not installed: 'gromacs'
[ ] gulp cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] hotbit cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] lammpslib not installed: missing python wrappers: cannot import lammps
[ ] lammpsrun not installed: 'lammps'
[ ] mopac not installed: No 'mopac' section
[ ] nwchem not installed: No 'nwchem' section
[ ] octopus not installed: 'octopus'
[ ] onetep cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] openmx not installed: 'openmx'
[ ] orca not installed: 'orca'
[ ] plumed not installed:
[ ] psi4 not installed: psi4
[ ] qchem cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] siesta not installed: No 'siesta' section
[ ] turbomole cfg=<ase.config.Config object at 0x7f602ca75c40>
[ ] vasp not installed: 'vasp'
* Use --calculators option to select calculators.
* See "ase test --help-calculators" on how to configure calculators.
* This listing only includes external calculators known by the test
system. Others are "configured" by setting an environment variable
like "ASE_xxx_COMMAND" in order to allow tests to run. Please see
the documentation of that individual calculator.
rootdir: /home/cara/.local/lib/python3.9/site-packages/ase/test
configfile: pytest.ini
plugins: hypothesis-6.112.1, qt-4.4.0
collected 3293 items / 1 error
===================================== ERRORS ======================================
________________________ ERROR collecting gui/test_run.py _________________________
ImportError while importing test module '/home/cara/.local/lib/python3.9/site-packages/ase/test/gui/test_run.py'.
Hint: make sure your test modules/packages have valid Python names.
Traceback:
/usr/local/lib/python3.9/importlib/__init__.py:127: in import_module
return _bootstrap._gcd_import(name[level:], package, level)
gui/test_run.py:7: in <module>
import ase.gui.ui as ui
../../shiboken2/files.dir/shibokensupport/__feature__.py:142: in _import
return original_import(name, *args, **kwargs)
../gui/ui.py:4: in <module>
import tkinter as tk
../../shiboken2/files.dir/shibokensupport/__feature__.py:142: in _import
return original_import(name, *args, **kwargs)
/usr/local/lib/python3.9/tkinter/__init__.py:37: in <module>
import _tkinter # If this fails your Python may not be configured for Tk
../../shiboken2/files.dir/shibokensupport/__feature__.py:142: in _import
return original_import(name, *args, **kwargs)
E ModuleNotFoundError: No module named '_tkinter'
============================= short test summary info =============================
ERROR gui/test_run.py
!!!!!!!!!!!!!!!!!!!!! Interrupted: 1 error during collection !!!!!!!!!!!!!!!!!!!!!!
================================ 1 error in 3.55s =================================
Do you knwo whats the Problem ? tkinter ist installed.
Thank you a lot! Cara
________________________________
Von: Cara Kohler
Gesendet: Montag, 30. September 2024 16:40:53
An: Adam Jackson; ase-users at listserv.fysik.dtu.dk
Betreff: AW: errors in ASE test
Hello Adam,
thank you a lot for your quick answer. This solved the problem. thank you !
Kind Regards
Cara
________________________________
Von: Adam Jackson <a.j.jackson at physics.org>
Gesendet: Montag, 30. September 2024 15:48:35
An: ase-users at listserv.fysik.dtu.dk; Cara Kohler
Betreff: Re: errors in ASE test
Hi Cara,
it looks like the offending error is
ImportError while importing test module '/home/cara/miniforge3/envs/nanoreactor3.10/lib/python3.10/site-packages/ase/test/test_imports.py'.
Hint: make sure your test modules/packages have valid Python names.
Traceback:
../../../importlib/__init__.py:126: in import_module
return _bootstrap._gcd_import(name[level:], package, level)
test_imports.py:6: in <module>
from numpy import VisibleDeprecationWarning
E ImportError: cannot import name 'VisibleDeprecationWarning' from 'numpy' (/home/cara/miniforge3/envs/nanoreactor3.10/lib/python3.10/site-packages/numpy/__init__.py)
VisibleDeprecationWarning was moved to a different place in recent Numpy versions; there is logic in the development version of ASE to handle this. As you seem to be using the ASE-3.23.0 release, I suggest rolling back your numpy from 2.1.1 to 1.26.4. Future ASE releases will be compatible with Numpy 2.
All the best,
Adam
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