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@19hello 19hello commented Jan 16, 2026

Reminder

  • Have you linked an issue with this pull request?
  • Have you added adequate unit tests and/or case tests for your pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #...

Unit Tests and/or Case Tests for my changes

  • A unit test is added for each new feature or bug fix.

What's changed?

When using the toolchain_gnu.sh script to download the required math libraries for ABACUS on the Huawei Kunpeng platform, I encountered the error: "Configure: error: Could not compile an MPI Fortran program." According to ChatGPT, the reason is that on the Kunpeng platform, OpenMPI automatically disables Fortran support without reporting an explicit error. I resolved this issue by modifying the install_openmpi.sh script. Therefore, I submit this PR to make the toolchain more adaptable to different environments.

Any changes of core modules? (ignore if not applicable)

  • Example: I have added a new virtual function in the esolver base class in order to ...

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