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MolEmb is missing #33

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amasunov opened this issue Jun 29, 2018 · 0 comments
Open

MolEmb is missing #33

amasunov opened this issue Jun 29, 2018 · 0 comments

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@amasunov
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I just had TensotMol0.2 installed on our cluster.
Trying to run test reports an error:

(tensorflow) bash-4.2$ python ./samples/test.py
/apps/tensorflow/tensorflow/envs/tensorflow/lib/python3.6/site-packages/h5py/init.py:36: FutureWarning: Conversion of the second argument of issubdtype from float to np.floating is deprecated. In future, it will be treated as np.float64 == np.dtype(float).type.
from ._conv import register_converters as _register_converters

ፐℇℕЅ⦾Ɽ-ᙏ⦾ℒ  0.1

By using this software you accept the terms of the GNU public license in
COPYING, and agree to attribute the use of this software in publications as:

K.Yao, J. E. Herr, D. Toth, R. McIntyre, J. Garside, J. Parckhill. TensorMol 0.2 (2018)

Searching for Installed Optional Packages...
Pyscf is not installed -- no ab-initio sampling
MolEmb is not installed. Please cd C_API; sudo python setup.py install No module named 'MolEmb'

Traceback (most recent call last):
File "./samples/test.py", line 4, in
from TensorMol import *
File "/lustre/fs0/groups/amasunov/TENSORMOL/TensorMol/TensorMol/init.py", line 28, in
from .Containers import *
File "/lustre/fs0/groups/amasunov/TENSORMOL/TensorMol/TensorMol/Containers/init.py", line 4, in
from .Mol import *
File "/lustre/fs0/groups/amasunov/TENSORMOL/TensorMol/TensorMol/Containers/Mol.py", line 5, in
import MolEmb
ModuleNotFoundError: No module named 'MolEmb'
======= Accumulated Time Information =======
Category ||| Time Per Call ||| Total Elapsed
Total Time : 0.00516 s
~ Adios Homeshake ~

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