Molecular ab initio calculations - Quality Assurance

Summary

Autoremovals: 1

Migration issues: 4

CI failures: 4

Install issues: 2

No issues: 1/9

DebiChem Molecular Ab Initio Calculations

This metapackage will install packages doing molecular 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:

Testsuite: autopkgtest

nwchem

😟 CI

😟 Migration

😟 Install/upgrade

Continuous integration (CI) tests are failing:

Testsuite: autopkgtest

Migration from unstable to testing is blocked:

Verdict: Rejected/violates migration policy/introduces a regression

Piuparts failed:

Version: None
Sections: oldstable22testing

mpqc

😟 Migration

😟 Install/upgrade

😑 Tests missing

Migration from unstable to testing is blocked:

Verdict: Rejected/violates migration policy/introduces a regression
Reason: autopkgtest, depends
Migrates after: libint

Piuparts failed:

Version: 2.3.1-22
Sections: sid-broken-symlinks oldstable222sid sid-strict sid-nodoc

Continuous integration (CI) tests are missing.

bagel

😟 CI

Continuous integration (CI) tests are failing:

Testsuite: autopkgtest

openmolcas

😟 CI

Continuous integration (CI) tests are failing:

Testsuite: autopkgtest, autopkgtest-pkg-python

chemps2

😟 Migration

Migration from unstable to testing is blocked:

Verdict: Rejected/violates migration policy/introduces a regression

psi4

😟 Migration

Migration from unstable to testing is blocked:

Verdict: Rejected/violates migration policy/introduces a regression
Reason: autopkgtest
Migrates after: chemps2, libint

ergo

😑 Tests missing

Continuous integration (CI) tests are missing.