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import error #140

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hacret opened this issue Apr 6, 2022 · 1 comment
Open

import error #140

hacret opened this issue Apr 6, 2022 · 1 comment

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@hacret
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hacret commented Apr 6, 2022

Python 3.9.9 (main, Dec 1 2021, 16:36:40)
[GCC 7.5.0] on linux
Type "help", "copyright", "credits" or "license" for more information.

import qml
Traceback (most recent call last):
File "", line 1, in
File "/user/kijsdc/.local/lib/python3.9/site-packages/qml/init.py", line 37, in
from .compound import Compound
File "/user/kijsdc/.local/lib/python3.9/site-packages/qml/compound.py", line 30, in
from .representations import generate_coulomb_matrix
File "/user/kijsdc/.local/lib/python3.9/site-packages/qml/representations.py", line 28, in
from .frepresentations import fgenerate_coulomb_matrix
ImportError: /user/kijsdc/.local/lib/python3.9/site-packages/qml/frepresentations.cpython-39-x86_64-linux-gnu.so: undefined symbol: dsyev_

I need your help. please help me...

@charnley
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charnley commented Dec 8, 2024

Please note that further development for the QML package is now happening on the qmlcode/qmllib repository. qmllib is a port of the QML's Fortran core functionality with fewer dependencies and numpy 2.0 compatibility. You are encouraged to open any future issues or pull requests there.

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