enable unittests of ase and pymatgen

[njzjz]

related issue: #170

[njzjz]

... Seems there is a breaking change in pymatgen. https://pymatgen.org/#major-announcement-v2022-0

If your existing code uses from pymatgen import , you will need to make modifications. MPRester should now be imported from pymatgen.ext.matproj. All other convenience objects such as Element, Species, Lattice, Structure, etc. should be imported from pymatgen.core.

[codecov-commenter]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 81.19%. Comparing base (f0273f7) to head (cbf3ed8).

Additional details and impacted files

@@            Coverage Diff             @@
##            devel     #171      +/-   ##
==========================================
+ Coverage   80.07%   81.19%   +1.12%     
==========================================
  Files          54       54              
  Lines        4553     4553              
==========================================
+ Hits         3646     3697      +51     
+ Misses        907      856      -51     

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