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nlesc-nano / auto-FOX

A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
GNU Lesser General Public License v3.0
9 stars 8 forks source link

TST: Add tests for python 3.10 #260

Closed BvB93 closed 2 years ago

codecov[bot] commented 2 years ago

Codecov Report

Merging #260 (3a8f8fe) into master (51bf9d8) will increase coverage by 0.08%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #260      +/-   ##
==========================================
+ Coverage   75.24%   75.33%   +0.08%     
==========================================
  Files          65       65              
  Lines        6937     6958      +21     
  Branches     1248     1342      +94     
==========================================
+ Hits         5220     5242      +22     
+ Misses       1384     1381       -3     
- Partials      333      335       +2
Impacted Files Coverage Δ
FOX/__version__.py 100.00% <100.00%> (ø)
FOX/io/read_xyz.py 71.01% <0.00%> (ø)
FOX/ff/lj_dataframe.py 30.25% <0.00%> (ø)
FOX/classes/multi_mol_magic.py 89.25% <0.00%> (+0.12%) :arrow_up:
FOX/io/read_psf.py 80.11% <0.00%> (+0.19%) :arrow_up:
FOX/classes/multi_mol.py 72.44% <0.00%> (+0.20%) :arrow_up:
FOX/io/hdf5_utils.py 80.40% <0.00%> (+0.23%) :arrow_up:
FOX/io/read_prm.py 64.14% <0.00%> (+0.83%) :arrow_up:

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BvB93 commented 2 years ago

The infamous schema 0.7.5 bug is severe enough that a 0.10.1 release is in order here.