abacus: modernize to CMake build and add v3.9.0.19, v3.10.1 - #6221
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- Migrate from MakefilePackage (ABACUS 2.2.x, Intel-only) to CMakePackage (ABACUS 3.x) with proper GNU/OpenMPI toolchain support. - Add versions 3.10.1 and 3.9.0.19, drop 2.2.x line. - Replace hardcoded Intel MKL dependency with openblas. - Add lcao/elpa/libxc variants; set GIT_SUBMODULE=OFF for release tarballs. Verified: 62 dependencies built cleanly; SCF example (pw_Si2) converged to -215.5056984116324 eV identically for both new versions.
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Aug 25, 2026
Per review feedback: - Keep 2.2.x versions with deprecated=True instead of removing them - Support both CMakePackage (3.x) and MakefilePackage (2.2.x) via a build_system variant; the legacy Intel makefile path is preserved for the deprecated 2.2.x line
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Both review points are now addressed in the latest commit
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kshea21
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Aug 28, 2026
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Great, thanks for making the change and contributing!
kshea21
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August 28, 2026 22:21
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Verified: 62 dependencies built cleanly; SCF example (pw_Si2) converged to -215.5056984116324 eV identically for both new versions.