Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

MAINT: Do not extract the CP2K version via cp2k.popt --version #290

Merged
merged 1 commit into from
Feb 17, 2022

Conversation

BvB93
Copy link
Collaborator

@BvB93 BvB93 commented Feb 17, 2022

Using cp2k.popt --version can fail if the CP2K version used for constructing a given output is
different from the version that's currently loaded.
Instead, read the version directly from the .out file.

Using `cp2k.popt --version` can fail if the CP2K version used for constructing a given output is different from the version that's currently loaded.
Instead, read the version directly from the .out file.
@codecov
Copy link

codecov bot commented Feb 17, 2022

Codecov Report

Merging #290 (d3e9bc8) into master (96112f7) will decrease coverage by 0.12%.
The diff coverage is 66.66%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #290      +/-   ##
==========================================
- Coverage   81.67%   81.54%   -0.13%     
==========================================
  Files          42       42              
  Lines        2275     2259      -16     
  Branches      380      376       -4     
==========================================
- Hits         1858     1842      -16     
+ Misses        318      317       -1     
- Partials       99      100       +1     
Impacted Files Coverage Δ
src/qmflows/parsers/cp2KParser.py 71.91% <66.66%> (-1.46%) ⬇️

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 96112f7...d3e9bc8. Read the comment docs.

@BvB93 BvB93 merged commit 47f3df0 into master Feb 17, 2022
@BvB93 BvB93 deleted the cp2k_version branch February 17, 2022 15:03
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant