Change GMX_DOUBLE to be always defined
authorMark Abraham <mark.j.abraham@gmail.com>
Mon, 16 Nov 2015 16:29:35 +0000 (17:29 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Mon, 4 Jan 2016 03:32:09 +0000 (04:32 +0100)
commit8c7138197bc2a56483115b556b0732bd0ff4855b
treec8f20a5e5974cbd6520690b832429af21a89eb6f
parent2a85cc8219e74e1a00dcbb5ef5dce55102bab594
Change GMX_DOUBLE to be always defined

Also documented use of precision-related CMake variables

There may be some references in the SIMD documentation that still
refer to GMX_DOUBLE being defined, but we should solve that
separately, given the other changes at the moment.

Some abuse that un-defined GMX_DOUBLE was hard-coding some use of
single precision in mdebin_bar.cpp, so made that explicit.

Removed GMX_CPT_BUILD_DP, which can now be replaced by GMX_DOUBLE.

Removed some #ifdef in QM code, because floating-point arguments to
printf are automatically promoted to double. scanf still needs
versioning, though.

Refs #1855

Change-Id: I59b6874739d528603a86e0b6ab9bcadd67fdd3fa
61 files changed:
CMakeLists.txt
docs/dev-manual/build-system.rst
docs/doxygen/suppressions.txt
src/config.h.cmakein
src/contrib/testfft.c
src/gromacs/correlationfunctions/tests/autocorr.cpp
src/gromacs/ewald/long-range-correction.cpp
src/gromacs/fft/fft5d.h
src/gromacs/fft/fft_fftw3.cpp
src/gromacs/fft/fft_mkl.cpp
src/gromacs/fileio/checkpoint.cpp
src/gromacs/fileio/enxio.cpp
src/gromacs/fileio/tngio.cpp
src/gromacs/fileio/tngio_for_tools.cpp
src/gromacs/fileio/trxio.cpp
src/gromacs/fileio/trxio.h
src/gromacs/fileio/vmdio.cpp
src/gromacs/fileio/xdrd.cpp
src/gromacs/fileio/xtcio.cpp
src/gromacs/gmxana/gmx_energy.cpp
src/gromacs/gmxlib/network.h
src/gromacs/gmxlib/nonbonded/nonbonded.cpp
src/gromacs/linearalgebra/eigensolver.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/genborn.cpp
src/gromacs/mdlib/mdebin.cpp
src/gromacs/mdlib/mdebin_bar.cpp
src/gromacs/mdlib/minimize.cpp
src/gromacs/mdlib/nbnxn_atomdata.cpp
src/gromacs/mdlib/nbnxn_consts.h
src/gromacs/mdlib/nbnxn_grid.cpp
src/gromacs/mdlib/nbnxn_internal.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_inner.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_outer.h
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_common.h
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_outer.h
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_common.h
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_inner.h
src/gromacs/mdlib/nbnxn_kernels/simd_4xn/nbnxn_kernel_simd_4xn_outer.h
src/gromacs/mdlib/nbnxn_pairlist.h
src/gromacs/mdlib/nbnxn_search.cpp
src/gromacs/mdlib/perf_est.cpp
src/gromacs/mdlib/qm_gaussian.cpp
src/gromacs/mdlib/qm_orca.cpp
src/gromacs/options/basicoptions.h
src/gromacs/simd/simd.h
src/gromacs/simd/tests/base.cpp
src/gromacs/simd/tests/base.h
src/gromacs/simd/tests/simd.cpp
src/gromacs/simd/tests/simd.h
src/gromacs/simd/tests/simd4.cpp
src/gromacs/simd/tests/simd4.h
src/gromacs/simd/tests/simd4_floatingpoint.cpp
src/gromacs/simd/tests/simd4_math.cpp
src/gromacs/simd/tests/simd_floatingpoint.cpp
src/gromacs/simd/tests/simd_math.cpp
src/gromacs/tables/forcetable.cpp
src/gromacs/utility/baseversion.cpp
src/gromacs/utility/binaryinformation.cpp
src/gromacs/utility/real.h
src/testutils/testasserts.h