Hello dwinston,
I had responded to an old google groups post by you: here.
I did install pymatgen on a windows 10 build through your channel in Anaconda, but am running into an error:
Traceback (most recent call last):
File "<ipython-input-1-33f7a5e33ac2>", line 1, in <module>
runfile('C:/Users/Jack/Documents/Python/test.py', wdir='C:/Users/Jack/Documents/Python')
File "C:\Anaconda3\lib\site-packages\spyderlib\widgets\externalshell\sitecustomize.py", line 699, in runfile
execfile(filename, namespace)
File "C:\Anaconda3\lib\site-packages\spyderlib\widgets\externalshell\sitecustomize.py", line 88, in execfile
exec(compile(open(filename, 'rb').read(), filename, 'exec'), namespace)
File "C:/Users/Jack/Documents/Python/test.py", line 8, in <module>
import pymatgen as mg
File "C:\Anaconda3\lib\site-packages\pymatgen\__init__.py", line 17, in <module>
from .io.smart import read_structure, write_structure, read_mol, write_mol
File "C:\Anaconda3\lib\site-packages\pymatgen\io\smart.py", line 28, in <module>
from pymatgen.io.cif import CifParser, CifWriter
File "C:\Anaconda3\lib\site-packages\pymatgen\io\cif.py", line 43, in <module>
from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
File "C:\Anaconda3\lib\site-packages\pymatgen\symmetry\analyzer.py", line 53, in <module>
raise ImportError(msg)
ImportError: Spglib required. Please either run python setup.py install for pymatgen, or install pyspglib from spglib.
The test script that resulted in this is simply “import pymatgen as mg”, as part of testing it. Do you have any ideas for solutions? I’ve google around with spglib but didn’t find any obvious solutions that worked.
Thanks!