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added 3 commits
October 11, 2026 21:27
Delete unused sources: main.cpp (empty stub), mcd.h/mcd.c (third-party memory checker, only reachable via never-defined _MCD_CHECK), export (declared "not used yet", no consumers), and matrix_wrapper_tianhe2.h (dead #else branch). Drop the guarded mcd.h include and empty _MCD_CHECK guards, and remove export.cpp from the base OBJECT library.
…_nao projgen is a PW on-site projector generator with no production callers outside module_proj; move it from source_base to source_pw/module_proj (next to its only active consumer onsite_proj_init and its unit test) and rename the stale MODULE_NAO_PROJGEN include guard. Split smoothgen, a second independent function sharing the old file, into source_basis/module_nao: its active callers are atomic_radials (NAO) and onsite_proj_init (PW). This keeps source_basis free of any new dependency on source_pw. - move projgen unit test to module_proj/unittests; delete the duplicate projgen_test from module_nao/test; add module_nao/unittests with test_smoothgen - wire both CMake (module/unit tests) and Makefile.Objects: drop projgen.o from OBJS_ORBITAL, add smoothgen.o to OBJS_SRCPW so both PW and LCAO links resolve it without duplicate objects - remove dead commented projgen call in atomic_radials and the unnecessary projgen include in onsite_proj_init
mohanchen
added
Refactor
Commit 9f846a0 removed source_base/export.cpp but left export.o in OBJS_BASE of source/Makefile.Objects, so the legacy Makefile build fails with "No rule to make target 'build/obj/export.o'". Remove the stale entry to restore the Makefile build.
Commit 78f3891 moved smoothgen into the ENABLE_LCAO-guarded numerical_atomic_orbitals OBJECT library, but its PW caller onsite_proj_init is linked unconditionally via module_proj. PW-only builds (ENABLE_LCAO=OFF) fail with undefined reference to smoothgen. Extract smoothgen.cpp into a standalone nao_smoothgen OBJECT library built regardless of ENABLE_LCAO, link it into the main binary unconditionally, and add it to the test targets that link numerical_atomic_orbitals (atomic_radials inside calls smoothgen).
Commit 78f3891 moved smoothgen to source_basis/module_nao but missed the pyabacus build. libnaopack.so compiles atomic_radials.cpp which calls smoothgen, but the source was not in the _naos list, causing an undefined symbol on import.
Lessons from 2026-10-11-a branch: three CI failures (stale export.o in Makefile.Objects, smoothgen trapped in ENABLE_LCAO guard, pyabacus naopack missing smoothgen.cpp) all stem from incomplete build-surface updates when moving/splitting source files.
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Refactor: reorganize some files