Molecular dynamics - Quality Assurance

Summary

Autoremovals: 3

Migration issues: 2

CI failures: 5

Install issues: 4

No issues: 1/9

DebiChem Molecular Dynamics

This metapackage will install Molecular Dynamics packages 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:

parmed

😟 Autoremoval

😟 CI

Package marked for automatic removal:

  • Will be removed on: 2025-10-04
  • Dependencies leading to autoremoval: rdkit
  • Bugs in dependencies leading to autoremoval: #1110701

Continuous integration (CI) tests are failing:

votca

😟 Autoremoval

😑 Tests missing

Package marked for automatic removal:

  • Will be removed on: 2025-10-04
  • Dependencies leading to autoremoval: libint2 rdkit
  • Bugs in dependencies leading to autoremoval: #1097201 #1110701

Continuous integration (CI) tests are missing.

nwchem

😟 CI

😟 Migration

😟 Install/upgrade

Continuous integration (CI) tests are failing:

Migration from unstable to testing is blocked:

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

Piuparts failed:

prody

😟 CI

😟 Migration

😟 Install/upgrade

Continuous integration (CI) tests are failing:

Migration from unstable to testing is blocked:

  • Verdict: Rejected/violates migration policy/introduces a regression
  • Reason: autopkgtest, depends, missingbuild

Piuparts failed:

gromacs

😟 CI

😟 Install/upgrade

Continuous integration (CI) tests are failing:

Piuparts failed:

lammps

😟 Install/upgrade

Piuparts failed:

adun.app

😑 Tests missing

Continuous integration (CI) tests are missing.