Repository navigation
abacuslite should be independent repo as submodule in abacus/interfaces #8165
Description
Background
Now abacuslite as modern ase-abacus interfaces is targeted as ase plugin and maintained in abacus/interface directory, which is not easy to install and distributed via PyPI and other commonly-used Python channel.
Describe the solution you'd like
I've developed https://github.com/QuantumMisaka/abacuslite as indenpendent channel and I'm checking github CI test for both abacuslite to abacus and abacuslite to atst-tools. Once finished, I'll open a PR to change abacuslite in abacus/interfaces as a submodule and running github CI test via pip install abacuslite
Task list only for developers
- Notice possible changes of behavior
- Explain the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi
Notice Possible Changes of Behavior (Reminder only for developers)
No response
Notice any changes of core modules (Reminder only for developers)
No response
Notice Possible Changes of Core Modules (Reminder only for developers)
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
- Review and understand the proposed feature and its importance.
- Research on the existing solutions and relevant research articles/resources.
- Discuss with the team to evaluate the feasibility of implementing the feature.
- Create a design document outlining the proposed solution and implementation details.
- Get feedback from the team on the design document.
- Develop the feature following the agreed design.
- Write unit tests and integration tests for the feature.
- Update the documentation to include the new feature.
- Perform code review and address any issues.
- Merge the feature into the main branch.
- Monitor for any issues or bugs reported by users after the feature is released.
- Address any issues or bugs reported by users and continuously improve the feature.
Activity
Growl1234 commentedon Oct 18, 2026
Then you are effectively breaking the git archive export on GitHub website, as
interfaces/ASE_interface/abacuslitewill be empty. Please consider making abacuslite either fully internal or fully external (i.e. no submodule as a middle case).QuantumMisaka commentedon Oct 18, 2026
OK，I'll consider fully external with collaborating mechanism and CI test
QuantumMisaka commentedon Oct 18, 2026
Implementation PR: #8175.
Following this discussion, the adopted design is fully external rather than a submodule:
abacusliteis installed as a normal Python package, ABACUS keeps only the engine-side compatibility harness underinterfaces/ASE_interface/tests, and both repositories run cross-repository CI checks. The PR also makes theabacus.socket.properties.v1contract and its change rule explicit. LTS workflow adoption is tracked separately. The PR is linked as closing this issue.