nlesc-nano / flamingo

Computation and filtering of molecular properties
Apache License 2.0
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Reintroduced retry to fix PLAMS file issue #25

Closed felipeZ closed 3 years ago

felipeZ commented 3 years ago

Description

Plams Uses global variables to store folders names. When running with multiple processes it causes a race condition

Solution

Use CAT thread_safe option

codecov[bot] commented 3 years ago

Codecov Report

Merging #25 (64777ca) into master (25c0486) will increase coverage by 0.03%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #25      +/-   ##
==========================================
+ Coverage   92.15%   92.18%   +0.03%     
==========================================
  Files          11       11              
  Lines         497      499       +2     
  Branches       43       43              
==========================================
+ Hits          458      460       +2     
  Misses         28       28              
  Partials       11       11              
Impacted Files Coverage Δ
flamingo/cat_interface.py 88.00% <100.00%> (+0.24%) :arrow_up:

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