(disclaimer I am very new to this, so it may be an obvious issue)
*I have a Python3 virtual env inside an Ubuntu machine
- python3 -V -> Python 3.10.12
- pip list
Package Version
numpy 2.0.0
pip 22.0.2
setuptools 59.6.0
spglib 2.5.0
--> python3 example.py
[get_spacegroup]
Spacegroup of Silicon is Fd-3m (227).
[get_spacegroup]
Traceback (most recent call last):
File "/Symetry_venv/example/example.py", line 159, in
% spglib.get_spacegroup(silicon_ase)
File "/Symetry_venv/sym_env/lib/python3.10/site-packages/spglib/spglib.py", line 1075, in get_spacegroup
dataset = get_symmetry_dataset(
File "/Symetry_venv/sym_env/lib/python3.10/site-packages/spglib/spglib.py", line 914, in get_symmetry_dataset
lattice, positions, numbers, _ = _expand_cell(cell)
File "/Symetry_venv/sym_env/lib/python3.10/site-packages/spglib/spglib.py", line 2065, in _expand_cell
lattice = np.array(np.transpose(cell[0]), dtype="double", order="C")
TypeError: 'Atoms' object is not subscriptable
And so far I am stuck there
(I tried downgrading numpy to 1.26.4 but it did not help)
Thanks for you help,
Fab. O
(disclaimer I am very new to this, so it may be an obvious issue)
*I have a Python3 virtual env inside an Ubuntu machine
Package Version
numpy 2.0.0
pip 22.0.2
setuptools 59.6.0
spglib 2.5.0
--> python3 example.py
[get_spacegroup]
Spacegroup of Silicon is Fd-3m (227).
[get_spacegroup]
Traceback (most recent call last):
File "/Symetry_venv/example/example.py", line 159, in
% spglib.get_spacegroup(silicon_ase)
File "/Symetry_venv/sym_env/lib/python3.10/site-packages/spglib/spglib.py", line 1075, in get_spacegroup
dataset = get_symmetry_dataset(
File "/Symetry_venv/sym_env/lib/python3.10/site-packages/spglib/spglib.py", line 914, in get_symmetry_dataset
lattice, positions, numbers, _ = _expand_cell(cell)
File "/Symetry_venv/sym_env/lib/python3.10/site-packages/spglib/spglib.py", line 2065, in _expand_cell
lattice = np.array(np.transpose(cell[0]), dtype="double", order="C")
TypeError: 'Atoms' object is not subscriptable
And so far I am stuck there
(I tried downgrading numpy to 1.26.4 but it did not help)
Thanks for you help,
Fab. O