Move FFT routines to src/gromacs/fft/.
authorTeemu Murtola <teemu.murtola@gmail.com>
Fri, 31 May 2013 04:15:13 +0000 (07:15 +0300)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Mon, 24 Jun 2013 13:47:21 +0000 (15:47 +0200)
commite55e43e79c405e6d3a2e208d5a0d1ff566c0fbfd
tree1f05c52b1505ccbfe88c80c52d43ec672c3b4e14
parentd7fb6e07238109da9793ee12b89748dc9aca3968
Move FFT routines to src/gromacs/fft/.

Adjusted the build system a bit to select the file to build at the CMake
level instead of using #ifdefs within the files. Some minor cleanup.
Also add some hacks to produce separate Doxygen docs for each of the
gmx_fft_t implementations; otherwise, they mess up each other and
produce warnings, as some of them have Doxygen comments and some do not.

Change-Id: I55d8c4ce402d68b8cd3e2e700f83d801d8b8294e
36 files changed:
src/contrib/timefft.c
src/gromacs/CMakeLists.txt
src/gromacs/fft/CMakeLists.txt [new file with mode: 0644]
src/gromacs/fft/fft.c [moved from src/gromacs/mdlib/gmx_fft.c with 98% similarity]
src/gromacs/fft/fft.h [moved from src/gromacs/legacyheaders/gmx_fft.h with 98% similarity]
src/gromacs/fft/fft5d.cpp [moved from src/gromacs/mdlib/fft5d.cpp with 100% similarity]
src/gromacs/fft/fft5d.h [moved from src/gromacs/mdlib/fft5d.h with 97% similarity]
src/gromacs/fft/fft_fftpack.c [moved from src/gromacs/mdlib/gmx_fft_fftpack.c with 98% similarity]
src/gromacs/fft/fft_fftw3.cpp [moved from src/gromacs/mdlib/gmx_fft_fftw3.cpp with 97% similarity]
src/gromacs/fft/fft_mkl.c [moved from src/gromacs/mdlib/gmx_fft_mkl.c with 99% similarity]
src/gromacs/fft/parallel_3dfft.c [moved from src/gromacs/mdlib/gmx_parallel_3dfft.c with 98% similarity]
src/gromacs/fft/parallel_3dfft.h [moved from src/gromacs/legacyheaders/gmx_parallel_3dfft.h with 94% similarity]
src/gromacs/fft/tests/CMakeLists.txt [new file with mode: 0644]
src/gromacs/fft/tests/fft.cpp [moved from src/gromacs/mdlib/tests/fft.cpp with 98% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_0.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_0.xml with 100% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_1.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_1.xml with 100% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_2.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_2.xml with 100% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_3.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_3.xml with 100% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_4.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Complex_4.xml with 100% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Real_0.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Real_0.xml with 100% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Real_1.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Real_1.xml with 100% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Real_2.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Real_2.xml with 100% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Real_3.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Real_3.xml with 100% similarity]
src/gromacs/fft/tests/refdata/7_8_25_36_60_FFTTest1D_Real_4.xml [moved from src/gromacs/mdlib/tests/refdata/7_8_25_36_60_FFTTest1D_Real_4.xml with 100% similarity]
src/gromacs/fft/tests/refdata/FFFTest3D_Real5_6_9.xml [moved from src/gromacs/mdlib/tests/refdata/FFFTest3D_Real5_6_9.xml with 100% similarity]
src/gromacs/fft/tests/refdata/FFTTest_Real2DLength18_15Test.xml [moved from src/gromacs/mdlib/tests/refdata/FFTTest_Real2DLength18_15Test.xml with 100% similarity]
src/gromacs/fft/tests/refdata/ManyFFTTest_Complex1DLength48Multi5Test.xml [moved from src/gromacs/mdlib/tests/refdata/ManyFFTTest_Complex1DLength48Multi5Test.xml with 100% similarity]
src/gromacs/fft/tests/refdata/ManyFFTTest_Real1DLength48Multi5Test.xml [moved from src/gromacs/mdlib/tests/refdata/ManyFFTTest_Real1DLength48Multi5Test.xml with 100% similarity]
src/gromacs/gmxana/correl.c
src/gromacs/gmxana/correl.h
src/gromacs/gmxana/gmx_dos.c
src/gromacs/gmxana/gmx_velacc.c
src/gromacs/gmxana/powerspect.c
src/gromacs/mdlib/CMakeLists.txt
src/gromacs/mdlib/pme.c
src/gromacs/mdlib/tests/CMakeLists.txt [deleted file]