From d0ae489ddadcd23040a1970ea72f4d5bd96c6187 Mon Sep 17 00:00:00 2001
From: Miroslav Stoyanov <stoyanovmk@ornl.gov>
Date: Thu, 9 Nov 2023 11:38:33 -0500
Subject: [PATCH] addressed some pr comments

---
 cmake/CMakeLists.txt                |  2 +-
 cmake/Modules/Packages/KSPACE.cmake | 14 ++++++++------
 doc/src/Build_settings.rst          |  2 +-
 3 files changed, 10 insertions(+), 8 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 37cb498595..f7e9b314bd 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -977,7 +977,7 @@ if(PKG_KSPACE)
     if (HEFFTE_BACKEND)
       message(STATUS "heFFTe backend:  ${HEFFTE_BACKEND}")
     else()
-      message(STATUS "heFFTe backend:  stock (not intended for production)")
+      message(STATUS "heFFTe backend:  stock (builtin FFT implementation, tested for corrected but not optimized for production)")
     endif()
     if(FFT_SINGLE)
       message(STATUS "Using single precision FFTs")
diff --git a/cmake/Modules/Packages/KSPACE.cmake b/cmake/Modules/Packages/KSPACE.cmake
index 202009678a..9e8ab21160 100644
--- a/cmake/Modules/Packages/KSPACE.cmake
+++ b/cmake/Modules/Packages/KSPACE.cmake
@@ -46,7 +46,7 @@ else()
   target_compile_definitions(lammps PRIVATE -DFFT_KISS)
 endif()
 
-option(LMP_HEFFTE  "Use heFFTe as the distributed FFT engine, supersedes the FFT option."  OFF)
+option(LMP_HEFFTE  "Use heFFTe as the distributed FFT engine, overrides the FFT option."  OFF)
 if(LMP_HEFFTE)
   # if FFT_HEFFTE is enabled, switch the builtin FFT engine with Heffte
   set(HEFFTE_BACKEND_VALUES FFTW MKL)
@@ -60,20 +60,22 @@ if(LMP_HEFFTE)
     set(HEFFTE_COMPONENTS "MKL")
     set(Heffte_ENABLE_MKL "ON" CACHE BOOL "Enables MKL backend for heFFTe")
   else()
-    message(WARNING "HEFFTE_BACKEND not selected, defaulting to 'stock' backend, which is not intended for production")
+    message(WARNING "HEFFTE_BACKEND not selected, defaulting to the builtin 'stock' backend, which is intended for testing and is not optimized for production runs")
   endif()
 
-  find_package(Heffte 2.3.0 QUIET COMPONENTS ${HEFFTE_COMPONENTS})
+  find_package(Heffte 2.4.0 QUIET COMPONENTS ${HEFFTE_COMPONENTS})
   if (NOT Heffte_FOUND) # download and build
     include(FetchContent)
-    FetchContent_Declare(HEFFTE_PROJECT # using v2.3.0
-      URL  "https://bitbucket.org/icl/heffte/get/f49e25969bd7abbcb09e338db9a5e59550c8a05a.tar.gz"
-      URL_HASH SHA256=27c0a8da8f7bc91c8715ecb640721ab7e0454e22f6e3f521fe5acc45c28d60a9
+    FetchContent_Declare(HEFFTE_PROJECT # using v2.4.0
+      URL  "https://github.com/icl-utk-edu/heffte/archive/refs/tags/v2.4.0.tar.gz"
+      URL_HASH SHA256=02310fb4f9688df02f7181667e61c3adb7e38baf79611d80919d47452ff7881d
       )
     FetchContent_Populate(HEFFTE_PROJECT)
     add_subdirectory(${heffte_project_SOURCE_DIR} ${heffte_project_BINARY_DIR})
     set_target_properties(lmp PROPERTIES INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
     set_target_properties(lammps PROPERTIES INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
+    add_library(Heffte::Heffte INTERFACE IMPORTED GLOBAL)
+    target_link_libraries(Heffte::Heffte INTERFACE Heffte)
   endif()
 
   target_compile_definitions(lammps PRIVATE -DLMP_HEFFTE "-DHEFFTE_${HEFFTE_BACKEND}")
diff --git a/doc/src/Build_settings.rst b/doc/src/Build_settings.rst
index d285f1c28c..b355d08238 100644
--- a/doc/src/Build_settings.rst
+++ b/doc/src/Build_settings.rst
@@ -47,7 +47,7 @@ Alternatively, LAMMPS can use the
 `heFFTe <https://icl-utk-edu.github.io/heffte/>`_
 library for the MPI communication algorithms,
 which comes with many optimizations for special cases,
-e.g., leveraging 2D or 3D backend transforms or
+e.g., leveraging 2D and 3D backend transforms and
 better pipelining for packing and communication.
 
 .. tabs::