update the naming convention

cmake/Modules/Packages/KSPACE.cmake

@@ -49,18 +49,18 @@ endif()
 option(FFT_USE_HEFFTE  "Use heFFTe as the distributed FFT engine, overrides the FFT option."  OFF)
 if(FFT_USE_HEFFTE)
   # if FFT_HEFFTE is enabled, switch the builtin FFT engine with Heffte
-  set(HEFFTE_BACKEND_VALUES FFTW MKL)
-  set(HEFFTE_BACKEND "" CACHE STRING "Select heFFTe backend, e.g., FFTW or MKL")
-  set_property(CACHE HEFFTE_BACKEND PROPERTY STRINGS ${HEFFTE_BACKEND_VALUES})
+  set(FFT_HEFFTE_BACKEND_VALUES FFTW MKL)
+  set(FFT_HEFFTE_BACKEND "" CACHE STRING "Select heFFTe backend, e.g., FFTW or MKL")
+  set_property(CACHE FFT_HEFFTE_BACKEND PROPERTY STRINGS ${FFT_HEFFTE_BACKEND_VALUES})
 
-  if(HEFFTE_BACKEND STREQUAL "FFTW") # respect the backend choice, FFTW or MKL
+  if(FFT_HEFFTE_BACKEND STREQUAL "FFTW") # respect the backend choice, FFTW or MKL
     set(HEFFTE_COMPONENTS "FFTW")
     set(Heffte_ENABLE_FFTW "ON" CACHE BOOL "Enables FFTW backend for heFFTe")
-  elseif(HEFFTE_BACKEND STREQUAL "MKL")
+  elseif(FFT_HEFFTE_BACKEND STREQUAL "MKL")
     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 the builtin 'stock' backend, which is intended for testing and is not optimized for production runs")
+    message(WARNING "FFT_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 2.4.0 QUIET COMPONENTS ${HEFFTE_COMPONENTS})
@@ -78,7 +78,7 @@ if(FFT_USE_HEFFTE)
     target_link_libraries(Heffte::Heffte INTERFACE Heffte)
   endif()
 
-  target_compile_definitions(lammps PRIVATE -DLMP_HEFFTE "-DHEFFTE_${HEFFTE_BACKEND}")
+  target_compile_definitions(lammps PRIVATE -DFFT_HEFFTE "-DFFT_HEFFTE_${FFT_HEFFTE_BACKEND}")
   target_link_libraries(lammps PRIVATE Heffte::Heffte)
 endif()
 

doc/src/Build_settings.rst

@@ -83,7 +83,7 @@ better pipelining for packing and communication.
          -D MKL_INCLUDE_DIR=path     # ditto for Intel MKL library
          -D FFT_MKL_THREADS=on       # enable using threaded FFTs with MKL libraries
          -D MKL_LIBRARY=path         # path to MKL libraries
-         -D HEFFTE_BACKEND=value     # FFTW or MKL or empty/undefined for the stock backend
+         -D FFT_HEFFTE_BACKEND=value # FFTW or MKL or empty/undefined for the stock backend
          -D Heffte_ROOT=path         # path to an existing heFFTe installation
 
 
@@ -126,15 +126,15 @@ better pipelining for packing and communication.
       .. code-block:: make
 
          include <path-to-heffte-installation>/share/heffte/HeffteMakefile.in
-         FFT_INC = -DLMP_HEFFTE -DHEFFTE_FFTW $(heffte_include)
+         FFT_INC = -DFFT_HEFFTE -DFFT_HEFFTE_FFTW $(heffte_include)
          FFT_PATH =
          FFT_LIB = $(heffte_link) $(heffte_libs)
 
       The heFFTe install path will contain `HeffteMakefile.in`.
       which will define the `heffte_` include variables needed to link to heFFTe from
       an external project using traditional make.
-      The `-DLMP_HEFFTE` is required to switch to using heFFTe, while the optional `-DHEFFTE_FFTW`
-      selects the desired heFFTe backend, e.g., `-DHEFFTE_FFTW` or `-DHEFFTE_MKL`,
+      The `-DFFT_HEFFTE` is required to switch to using heFFTe, while the optional `-DFFT_HEFFTE_FFTW`
+      selects the desired heFFTe backend, e.g., `-DFFT_HEFFTE_FFTW` or `-DFFT_HEFFTE_MKL`,
       omitting the variable will default to the `stock` backend.
 
 The `KISS FFT library <https://github.com/mborgerding/kissfft>`_ is

src/KSPACE/fft3d_wrap.cpp

@@ -27,7 +27,7 @@ FFT3d::FFT3d(LAMMPS *lmp, MPI_Comm comm, int nfast, int nmid, int nslow,
              int out_klo, int out_khi,
              int scaled, int permute, int *nbuf, int usecollective) : Pointers(lmp)
 {
-  #ifndef LMP_HEFFTE
+  #ifndef FFT_HEFFTE
   plan = fft_3d_create_plan(comm,nfast,nmid,nslow,
                             in_ilo,in_ihi,in_jlo,in_jhi,in_klo,in_khi,
                             out_ilo,out_ihi,out_jlo,out_jhi,out_klo,out_khi,
@@ -56,7 +56,7 @@ FFT3d::FFT3d(LAMMPS *lmp, MPI_Comm comm, int nfast, int nmid, int nslow,
 
 FFT3d::~FFT3d()
 {
-  #ifndef LMP_HEFFTE
+  #ifndef FFT_HEFFTE
   fft_3d_destroy_plan(plan);
   #endif
 }
@@ -65,7 +65,7 @@ FFT3d::~FFT3d()
 
 void FFT3d::compute(FFT_SCALAR *in, FFT_SCALAR *out, int flag)
 {
-  #ifndef LMP_HEFFTE
+  #ifndef FFT_HEFFTE
   fft_3d((FFT_DATA *) in,(FFT_DATA *) out,flag,plan);
   #else
   if (flag == 1)
@@ -86,7 +86,7 @@ void FFT3d::compute(FFT_SCALAR *in, FFT_SCALAR *out, int flag)
 
 void FFT3d::timing1d(FFT_SCALAR *in, int nsize, int flag)
 {
-  #ifndef LMP_HEFFTE
+  #ifndef FFT_HEFFTE
   fft_1d_only((FFT_DATA *) in,nsize,flag,plan);
   #endif
 }

src/KSPACE/fft3d_wrap.h

@@ -17,18 +17,18 @@
 #include "fft3d.h"    // IWYU pragma: export
 #include "pointers.h"
 
-#ifdef LMP_HEFFTE
+#ifdef FFT_HEFFTE
 #include "heffte.h"
 // select the backend
-#if defined(HEFFTE_FFTW)
+#if defined(FFT_HEFFTE_FFTW)
 using heffte_backend = heffte::backend::fftw;
-#elif defined(HEFFTE_MKL)
+#elif defined(FFT_HEFFTE_MKL)
 using heffte_backend = heffte::backend::mkl;
-#elif defined(HEFFTE_)
+#else
 using heffte_backend = heffte::backend::stock;
 #endif
 
-#endif // LMP_HEFFTE
+#endif // FFT_HEFFTE
 
 namespace LAMMPS_NS {
 
@@ -43,7 +43,7 @@ class FFT3d : protected Pointers {
   void timing1d(FFT_SCALAR *, int, int);
 
  private:
-  #ifdef LMP_HEFFTE
+  #ifdef FFT_HEFFTE
   // the heFFTe plan supersedes the internal fft_plan_3d
   std::unique_ptr<heffte::fft3d<heffte_backend>> heffte_plan;
   std::vector<std::complex<FFT_SCALAR>> heffte_workspace;