Deprecate various functionality in GROMACS 2019
authorMark Abraham <mark.j.abraham@gmail.com>
Mon, 24 Sep 2018 21:10:58 +0000 (23:10 +0200)
committerBerk Hess <hess@kth.se>
Sat, 13 Oct 2018 19:53:48 +0000 (21:53 +0200)
commitcf2d8336856fc925be2fa82127706ad0ca43520b
tree7e33e8e658dfa3e65072e9b5c37dd2b6c9c49962
parent05b388dd2b830dcc5ea1f3c9623752b23f34540b
Deprecate various functionality in GROMACS 2019

Published a deprecation policy.

Updated the release notes to refer also to previously deprecated
features.

Announced intent to change some functionality:
* gmx mdrun -membed options (but not feature)
* gmx mdrun -rerun option (but not feature)
* integrator .mdp field will contain only integrators
* gmx do_dssp to be replaced by gmx dssp
* gmx trjconv and friends to be split and rewritten

List of newly deprecated functionality:
* conversion of aromatic rings to virtual sites
* gmx mdrun -table options (but not feature)
* gmx mdrun -gcom option and feature
* gmx mdrun -nsteps option and feature
* gmx mdrun -nsteps -resetstep -resethway moved to
  a gmx benchmark tool
* gmx mdrun -confout removed

Also updated release notes for functionality removed in GROMACS 2019.

Refs #2495, #1781
Fixes #2569, #1925

Change-Id: I1d00859d0f15409a472984f5a65347a50c71ad17
25 files changed:
docs/CMakeLists.txt
docs/dev-manual/contribute.rst
docs/reference-manual/special/remove-fast-dgf.rst
docs/release-notes/deprecated-functionality.rst [new file with mode: 0644]
docs/release-notes/index.rst
docs/release-notes/removed-features.rst [deleted file]
docs/release-notes/removed-functionality.rst [new file with mode: 0644]
docs/user-guide/deprecation-policy.rst [new file with mode: 0644]
docs/user-guide/index.rst
docs/user-guide/mdrun-features.rst
src/gromacs/essentialdynamics/edsam.cpp
src/gromacs/essentialdynamics/edsam.h
src/gromacs/gmxana/gmx_editconf.cpp
src/gromacs/gmxana/gmx_eneconv.cpp
src/gromacs/gmxana/gmx_trjcat.cpp
src/gromacs/gmxana/gmx_trjconv.cpp
src/gromacs/gmxpreprocess/pdb2gmx.cpp
src/gromacs/gmxpreprocess/pdb2top.cpp
src/gromacs/mdlib/mdrun.h
src/gromacs/mdlib/membed.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdrun/tpi.cpp
src/programs/mdrun/mdrun.cpp