Periodic ab initio calculations - Quality Assurance

Summary

Autoremovals: 3

Migration issues: 1

CI failures: 3

Install issues: 0

No issues: 2/6

DebiChem Periodic Ab Initio Calculations

This metapackage will install packages doing periodic ab initio calculations which might be useful for chemists.

cp2k

😟 Autoremoval

😟 CI

Package marked for automatic removal:

  • Will be removed on: 2025-10-04
  • Dependencies leading to autoremoval: libint2
  • Bugs in dependencies leading to autoremoval: #1097201

Continuous integration (CI) tests are failing:

nwchem

😟 Autoremoval

😟 CI

Package marked for automatic removal:

  • Will be removed on: 2025-09-19
  • Bugs leading to autoremoval: #1097484
  • Dependencies leading to autoremoval: armci-mpi
  • Bugs in dependencies leading to autoremoval: #1096329

Continuous integration (CI) tests are failing:

espresso

😟 Autoremoval

😑 Tests missing

Package marked for automatic removal:

  • Will be removed on: 2025-10-04
  • Bugs leading to autoremoval: #1096588
  • Will result in removal of debian-pan with total popcon score of 0

Continuous integration (CI) tests are missing.

abinit

😟 CI

😟 Migration

Continuous integration (CI) tests are failing:

Migration from unstable to testing is blocked:

  • Verdict: Rejected/violates migration policy/introduces a regression