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cmake: support LAMMPS in built-in mode; remove kspace requirement#2891

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wanghan-iapcm merged 2 commits intodeepmodeling:develfrom
njzjz:lmp-builtin-cmake
Oct 3, 2023
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cmake: support LAMMPS in built-in mode; remove kspace requirement#2891
wanghan-iapcm merged 2 commits intodeepmodeling:develfrom
njzjz:lmp-builtin-cmake

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@njzjz njzjz commented Oct 2, 2023

Fix #2875.
Add documentation and supporting file to install LAMMPS in built-in mode with CMake.
Compile required C++ files from the kspace package (pppm.cpp, ffft3d.cpp, ffft3d_wrap.cpp, remap.cpp, remap_wrap.cpp) in the CMake files for both built-in and plugin modes, so there is no need to set PKG_KSAPCE=ON.

njzjz added 2 commits October 2, 2023 17:47
Fix deepmodeling#2875.
Add documentation and supporting file to install LAMMPS in built-in mode with CMake.
Compile required C++ files from the kspace package (pppm.cpp, ffft3d.cpp, ffft3d_wrap.cpp, remap.cpp, remap_wrap.cpp) in the CMake files for both built-in and plugin modes, so there is no need to set PKG_KSAPCE=ON.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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codecov bot commented Oct 2, 2023

Codecov Report

All modified lines are covered by tests ✅

Comparison is base (cf61140) 75.46% compared to head (406666b) 75.46%.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #2891   +/-   ##
=======================================
  Coverage   75.46%   75.46%           
=======================================
  Files         244      244           
  Lines       24518    24518           
  Branches     1580     1580           
=======================================
  Hits        18503    18503           
  Misses       5084     5084           
  Partials      931      931           

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@wanghan-iapcm wanghan-iapcm merged commit f7b87c3 into deepmodeling:devel Oct 3, 2023
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2 participants