Toolchain 2024.2 update #4944
Description
Background
Toolchain 2024.2 will update, including:
- version update for CMake, GCC, OpenMPI, OpenBLAS, ELPA
- possible version update for LibRI (waiting for Feature: update LibRI v0.2.0 #4830 )
- Fix Buiding scalapack fails (by running toolchain_gnu.sh) with GCC14 #4601
- Other adjustment (refer to cp2k toolchain)
- Other possible update
- Update of Bohrium database for Github packages
Describe the solution you'd like
I'll do it
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
Since CP2K marked support for QUIP and PEXSI as deprecated, toolchain will NOT add PESXI support in the future plan.
reference: cp2k/cp2k#3600
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.