Semi empirical calculations - Quality Assurance

Summary

Autoremovals: 0

Migration issues: 0

CI failures: 1

Install issues: 2

No issues: 0/5

DebiChem Semi Empirical

This metapackage will install Semi Empirical which might be useful for chemists.

cp2k

😟 CI

😟 Install/upgrade

Continuous integration (CI) tests are failing:

Piuparts failed:

mopac7

😟 Install/upgrade

😑 Tests missing

Piuparts failed:

Continuous integration (CI) tests are missing.

molds

😑 Tests missing

Continuous integration (CI) tests are missing.

mopac

😑 Tests missing

Continuous integration (CI) tests are missing.

xtb

😑 Tests missing

Continuous integration (CI) tests are missing.