Problems with Pymatgen

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dpt...@gmail.com

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Aug 14, 2018, 12:35:55 AM8/14/18
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Hello *,

I'm trying to run the example KRR script via the 'matminer_example' repo with no luck. The problem seems to be related to Pymatgen: 

$ python kernel_ridge_SCM_OFM.py 

/home/dennis/pymatgen/pymatgen/__init__.py:89: UserWarning: 

Pymatgen will drop Py2k support from v2019.1.1. Pls consult the documentation

at https://www.pymatgen.org for more details.

  at https://www.pymatgen.org for more details.""")

Traceback (most recent call last):

  File "kernel_ridge_SCM_OFM.py", line 11, in <module>

    from matminer.featurizers.structure import SineCoulombMatrix, OrbitalFieldMatrix

  File "/usr/local/lib/python2.7/dist-packages/matminer/featurizers/structure.py", line 17, in <module>

    from pymatgen.analysis.diffraction.xrd import XRDCalculator

  File "/home/dennis/pymatgen/pymatgen/analysis/diffraction/xrd.py", line 15, in <module>

    from .core import DiffractionPattern, DiffractionPatternCalculator, \

  File "/home/dennis/pymatgen/pymatgen/analysis/diffraction/core.py", line 50, in <module>

    class DiffractionPatternCalculator(abc.ABC):

AttributeError: 'module' object has no attribute 'ABC'


Any Ideas? 

-Dennis 

Anubhav Jain

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Aug 14, 2018, 9:22:01 AM8/14/18
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Are you using Py3?

You can see the warning about features being dropped from Py2 as well as the installation docs for matminer: https://hackingmaterials.github.io/matminer/installation.html

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Best,
Anubhav
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