CI update

[MTLehner]

No description provided.

[codecov]

Codecov Report

Merging #218 (4a0b281) into main (b0461a0) will increase coverage by 0.02%.
The diff coverage is n/a.

@@            Coverage Diff             @@
##             main     #218      +/-   ##
==========================================
+ Coverage   51.85%   51.87%   +0.02%     
==========================================
  Files          86       86              
  Lines       10619    10627       +8     
==========================================
+ Hits         5506     5513       +7     
- Misses       5113     5114       +1     

Flag	Coverage Δ
unittests	51.87% <ø> (+0.02%)	⬆️

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files	Coverage Δ
pygromos/files/otherfiles/new_repdat.py	0.00% <0.00%> (ø)
pygromos/files/gromos_system/gromos_system.py	67.37% <0.00%> (+0.11%)	⬆️
pygromos/files/blocks/_general_blocks.py	82.19% <0.00%> (+0.12%)	⬆️
pygromos/analysis/free_energy_calculation.py	67.13% <0.00%> (+0.15%)	⬆️
pygromos/gromos/utils.py	70.00% <0.00%> (+1.57%)	⬆️
pygromos/gromos/gromosBashSyntaxParser.py	33.33% <0.00%> (+7.01%)	⬆️

---

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 b0461a0...4a0b281. Read the comment docs.