Merge libgmxana into libgromacs.
authorTeemu Murtola <teemu.murtola@gmail.com>
Sun, 24 Mar 2013 13:49:31 +0000 (15:49 +0200)
committerTeemu Murtola <teemu.murtola@gmail.com>
Sun, 24 Mar 2013 18:28:07 +0000 (20:28 +0200)
commit8421fa36b73eb55c775284510405462439c322e2
tree39eadbb98f59a39e2c5451d183b9d5bcbf8268b8
parentee0af4246c484292e29b1ad8269003d242b7020c
Merge libgmxana into libgromacs.

- Move contents of src/tools/ into src/gromacs/gmxana/, except for
  g_tune_pme.c and g_pme_error.c.
- Delete unused src/tools/g_membed.c.
- Adjust the build system accordingly, removing references to gmxana.
- Merge contents of libgmxana.pc into libgromacs.pc and remove the
  former.
- Move src/gromacs/legacyheaders/gmx_ana.h into src/gromacs/gmxana/ and
  adjust files that include it accordingly.  Removed a few unnecessary
  inclusions of this header.  Don't install it, as it doesn't do much
  good.
- Merge src/contrib/g_sdf.c into src/contrib/gmx_sdf.c to make it
  independent of gmx_ana.h.  Remove gmx_sdf() from gmx_ana.h.

Closes #1013.

Change-Id: I34ba52fc938823833103123c8ada06d169abf7de
136 files changed:
src/contrib/g_sdf.c [deleted file]
src/contrib/gmx_sdf.c
src/gromacs/CMakeLists.txt
src/gromacs/gmxana/CMakeLists.txt [new file with mode: 0644]
src/gromacs/gmxana/addconf.c [moved from src/tools/addconf.c with 100% similarity]
src/gromacs/gmxana/addconf.h [moved from src/tools/addconf.h with 100% similarity]
src/gromacs/gmxana/anadih.c [moved from src/tools/anadih.c with 100% similarity]
src/gromacs/gmxana/autocorr.c [moved from src/tools/autocorr.c with 100% similarity]
src/gromacs/gmxana/binsearch.c [moved from src/tools/binsearch.c with 100% similarity]
src/gromacs/gmxana/binsearch.h [moved from src/tools/binsearch.h with 100% similarity]
src/gromacs/gmxana/calcpot.c [moved from src/tools/calcpot.c with 100% similarity]
src/gromacs/gmxana/calcpot.h [moved from src/tools/calcpot.h with 100% similarity]
src/gromacs/gmxana/cmat.c [moved from src/tools/cmat.c with 100% similarity]
src/gromacs/gmxana/cmat.h [moved from src/tools/cmat.h with 100% similarity]
src/gromacs/gmxana/correl.c [moved from src/tools/correl.c with 100% similarity]
src/gromacs/gmxana/correl.h [moved from src/tools/correl.h with 100% similarity]
src/gromacs/gmxana/dens_filter.c [moved from src/tools/dens_filter.c with 100% similarity]
src/gromacs/gmxana/dens_filter.h [moved from src/tools/dens_filter.h with 100% similarity]
src/gromacs/gmxana/dlist.c [moved from src/tools/dlist.c with 100% similarity]
src/gromacs/gmxana/edittop.c [moved from src/tools/edittop.c with 100% similarity]
src/gromacs/gmxana/eigio.c [moved from src/tools/eigio.c with 100% similarity]
src/gromacs/gmxana/eigio.h [moved from src/tools/eigio.h with 100% similarity]
src/gromacs/gmxana/expfit.c [moved from src/tools/expfit.c with 100% similarity]
src/gromacs/gmxana/fitahx.c [moved from src/tools/fitahx.c with 100% similarity]
src/gromacs/gmxana/fitahx.h [moved from src/tools/fitahx.h with 100% similarity]
src/gromacs/gmxana/geminate.c [moved from src/tools/geminate.c with 100% similarity]
src/gromacs/gmxana/geminate.h [moved from src/tools/geminate.h with 100% similarity]
src/gromacs/gmxana/gmx_ana.h [moved from src/gromacs/legacyheaders/gmx_ana.h with 99% similarity]
src/gromacs/gmxana/gmx_anadock.c [moved from src/tools/gmx_anadock.c with 100% similarity]
src/gromacs/gmxana/gmx_anaeig.c [moved from src/tools/gmx_anaeig.c with 100% similarity]
src/gromacs/gmxana/gmx_analyze.c [moved from src/tools/gmx_analyze.c with 100% similarity]
src/gromacs/gmxana/gmx_angle.c [moved from src/tools/gmx_angle.c with 100% similarity]
src/gromacs/gmxana/gmx_bar.c [moved from src/tools/gmx_bar.c with 100% similarity]
src/gromacs/gmxana/gmx_bond.c [moved from src/tools/gmx_bond.c with 100% similarity]
src/gromacs/gmxana/gmx_bundle.c [moved from src/tools/gmx_bundle.c with 100% similarity]
src/gromacs/gmxana/gmx_chi.c [moved from src/tools/gmx_chi.c with 100% similarity]
src/gromacs/gmxana/gmx_cluster.c [moved from src/tools/gmx_cluster.c with 100% similarity]
src/gromacs/gmxana/gmx_clustsize.c [moved from src/tools/gmx_clustsize.c with 100% similarity]
src/gromacs/gmxana/gmx_confrms.c [moved from src/tools/gmx_confrms.c with 100% similarity]
src/gromacs/gmxana/gmx_covar.c [moved from src/tools/gmx_covar.c with 100% similarity]
src/gromacs/gmxana/gmx_current.c [moved from src/tools/gmx_current.c with 100% similarity]
src/gromacs/gmxana/gmx_density.c [moved from src/tools/gmx_density.c with 100% similarity]
src/gromacs/gmxana/gmx_densmap.c [moved from src/tools/gmx_densmap.c with 100% similarity]
src/gromacs/gmxana/gmx_densorder.c [moved from src/tools/gmx_densorder.c with 100% similarity]
src/gromacs/gmxana/gmx_dielectric.c [moved from src/tools/gmx_dielectric.c with 100% similarity]
src/gromacs/gmxana/gmx_dipoles.c [moved from src/tools/gmx_dipoles.c with 100% similarity]
src/gromacs/gmxana/gmx_disre.c [moved from src/tools/gmx_disre.c with 100% similarity]
src/gromacs/gmxana/gmx_dist.c [moved from src/tools/gmx_dist.c with 100% similarity]
src/gromacs/gmxana/gmx_do_dssp.c [moved from src/tools/gmx_do_dssp.c with 100% similarity]
src/gromacs/gmxana/gmx_dos.c [moved from src/tools/gmx_dos.c with 100% similarity]
src/gromacs/gmxana/gmx_dyecoupl.c [moved from src/tools/gmx_dyecoupl.c with 100% similarity]
src/gromacs/gmxana/gmx_dyndom.c [moved from src/tools/gmx_dyndom.c with 100% similarity]
src/gromacs/gmxana/gmx_editconf.c [moved from src/tools/gmx_editconf.c with 100% similarity]
src/gromacs/gmxana/gmx_eneconv.c [moved from src/tools/gmx_eneconv.c with 100% similarity]
src/gromacs/gmxana/gmx_enemat.c [moved from src/tools/gmx_enemat.c with 100% similarity]
src/gromacs/gmxana/gmx_energy.c [moved from src/tools/gmx_energy.c with 100% similarity]
src/gromacs/gmxana/gmx_filter.c [moved from src/tools/gmx_filter.c with 100% similarity]
src/gromacs/gmxana/gmx_genbox.cpp [moved from src/tools/gmx_genbox.cpp with 100% similarity]
src/gromacs/gmxana/gmx_genconf.c [moved from src/tools/gmx_genconf.c with 100% similarity]
src/gromacs/gmxana/gmx_genion.c [moved from src/tools/gmx_genion.c with 100% similarity]
src/gromacs/gmxana/gmx_genpr.c [moved from src/tools/gmx_genpr.c with 100% similarity]
src/gromacs/gmxana/gmx_gyrate.c [moved from src/tools/gmx_gyrate.c with 100% similarity]
src/gromacs/gmxana/gmx_h2order.c [moved from src/tools/gmx_h2order.c with 100% similarity]
src/gromacs/gmxana/gmx_hbond.c [moved from src/tools/gmx_hbond.c with 100% similarity]
src/gromacs/gmxana/gmx_helix.c [moved from src/tools/gmx_helix.c with 100% similarity]
src/gromacs/gmxana/gmx_helixorient.c [moved from src/tools/gmx_helixorient.c with 100% similarity]
src/gromacs/gmxana/gmx_hydorder.c [moved from src/tools/gmx_hydorder.c with 100% similarity]
src/gromacs/gmxana/gmx_kinetics.c [moved from src/tools/gmx_kinetics.c with 100% similarity]
src/gromacs/gmxana/gmx_lie.c [moved from src/tools/gmx_lie.c with 100% similarity]
src/gromacs/gmxana/gmx_make_edi.c [moved from src/tools/gmx_make_edi.c with 100% similarity]
src/gromacs/gmxana/gmx_make_ndx.c [moved from src/tools/gmx_make_ndx.c with 100% similarity]
src/gromacs/gmxana/gmx_mdmat.c [moved from src/tools/gmx_mdmat.c with 100% similarity]
src/gromacs/gmxana/gmx_membed.c [moved from src/tools/gmx_membed.c with 100% similarity]
src/gromacs/gmxana/gmx_mindist.c [moved from src/tools/gmx_mindist.c with 100% similarity]
src/gromacs/gmxana/gmx_mk_angndx.c [moved from src/tools/gmx_mk_angndx.c with 100% similarity]
src/gromacs/gmxana/gmx_morph.c [moved from src/tools/gmx_morph.c with 100% similarity]
src/gromacs/gmxana/gmx_msd.c [moved from src/tools/gmx_msd.c with 100% similarity]
src/gromacs/gmxana/gmx_nmeig.c [moved from src/tools/gmx_nmeig.c with 100% similarity]
src/gromacs/gmxana/gmx_nmens.c [moved from src/tools/gmx_nmens.c with 100% similarity]
src/gromacs/gmxana/gmx_nmtraj.c [moved from src/tools/gmx_nmtraj.c with 100% similarity]
src/gromacs/gmxana/gmx_options.c [moved from src/tools/gmx_options.c with 100% similarity]
src/gromacs/gmxana/gmx_order.c [moved from src/tools/gmx_order.c with 100% similarity]
src/gromacs/gmxana/gmx_pme_error.c [moved from src/tools/gmx_pme_error.c with 100% similarity]
src/gromacs/gmxana/gmx_polystat.c [moved from src/tools/gmx_polystat.c with 100% similarity]
src/gromacs/gmxana/gmx_potential.c [moved from src/tools/gmx_potential.c with 100% similarity]
src/gromacs/gmxana/gmx_principal.c [moved from src/tools/gmx_principal.c with 100% similarity]
src/gromacs/gmxana/gmx_rama.c [moved from src/tools/gmx_rama.c with 100% similarity]
src/gromacs/gmxana/gmx_rdf.c [moved from src/tools/gmx_rdf.c with 100% similarity]
src/gromacs/gmxana/gmx_rms.c [moved from src/tools/gmx_rms.c with 100% similarity]
src/gromacs/gmxana/gmx_rmsdist.c [moved from src/tools/gmx_rmsdist.c with 100% similarity]
src/gromacs/gmxana/gmx_rmsf.c [moved from src/tools/gmx_rmsf.c with 100% similarity]
src/gromacs/gmxana/gmx_rotacf.c [moved from src/tools/gmx_rotacf.c with 100% similarity]
src/gromacs/gmxana/gmx_rotmat.c [moved from src/tools/gmx_rotmat.c with 100% similarity]
src/gromacs/gmxana/gmx_saltbr.c [moved from src/tools/gmx_saltbr.c with 100% similarity]
src/gromacs/gmxana/gmx_sans.c [moved from src/tools/gmx_sans.c with 100% similarity]
src/gromacs/gmxana/gmx_sas.c [moved from src/tools/gmx_sas.c with 100% similarity]
src/gromacs/gmxana/gmx_saxs.c [moved from src/tools/gmx_saxs.c with 100% similarity]
src/gromacs/gmxana/gmx_sgangle.c [moved from src/tools/gmx_sgangle.c with 100% similarity]
src/gromacs/gmxana/gmx_sham.c [moved from src/tools/gmx_sham.c with 100% similarity]
src/gromacs/gmxana/gmx_sigeps.c [moved from src/tools/gmx_sigeps.c with 100% similarity]
src/gromacs/gmxana/gmx_sorient.c [moved from src/tools/gmx_sorient.c with 100% similarity]
src/gromacs/gmxana/gmx_spatial.c [moved from src/tools/gmx_spatial.c with 100% similarity]
src/gromacs/gmxana/gmx_spol.c [moved from src/tools/gmx_spol.c with 100% similarity]
src/gromacs/gmxana/gmx_tcaf.c [moved from src/tools/gmx_tcaf.c with 100% similarity]
src/gromacs/gmxana/gmx_traj.c [moved from src/tools/gmx_traj.c with 100% similarity]
src/gromacs/gmxana/gmx_trjcat.c [moved from src/tools/gmx_trjcat.c with 100% similarity]
src/gromacs/gmxana/gmx_trjconv.c [moved from src/tools/gmx_trjconv.c with 100% similarity]
src/gromacs/gmxana/gmx_trjorder.c [moved from src/tools/gmx_trjorder.c with 100% similarity]
src/gromacs/gmxana/gmx_tune_pme.c [moved from src/tools/gmx_tune_pme.c with 100% similarity]
src/gromacs/gmxana/gmx_vanhove.c [moved from src/tools/gmx_vanhove.c with 100% similarity]
src/gromacs/gmxana/gmx_velacc.c [moved from src/tools/gmx_velacc.c with 100% similarity]
src/gromacs/gmxana/gmx_wham.cpp [moved from src/tools/gmx_wham.cpp with 100% similarity]
src/gromacs/gmxana/gmx_wheel.c [moved from src/tools/gmx_wheel.c with 100% similarity]
src/gromacs/gmxana/gmx_xpm2ps.c [moved from src/tools/gmx_xpm2ps.c with 100% similarity]
src/gromacs/gmxana/hxprops.c [moved from src/tools/hxprops.c with 100% similarity]
src/gromacs/gmxana/hxprops.h [moved from src/tools/hxprops.h with 100% similarity]
src/gromacs/gmxana/interf.h [moved from src/tools/interf.h with 100% similarity]
src/gromacs/gmxana/levenmar.c [moved from src/tools/levenmar.c with 100% similarity]
src/gromacs/gmxana/nsc.c [moved from src/tools/nsc.c with 100% similarity]
src/gromacs/gmxana/nsc.h [moved from src/tools/nsc.h with 100% similarity]
src/gromacs/gmxana/nsfactor.c [moved from src/tools/nsfactor.c with 100% similarity]
src/gromacs/gmxana/nsfactor.h [moved from src/tools/nsfactor.h with 100% similarity]
src/gromacs/gmxana/polynomials.c [moved from src/tools/polynomials.c with 100% similarity]
src/gromacs/gmxana/powerspect.c [moved from src/tools/powerspect.c with 100% similarity]
src/gromacs/gmxana/powerspect.h [moved from src/tools/powerspect.h with 100% similarity]
src/gromacs/gmxana/pp2shift.c [moved from src/tools/pp2shift.c with 100% similarity]
src/gromacs/gmxana/pp2shift.h [moved from src/tools/pp2shift.h with 100% similarity]
src/gromacs/gmxlib/sfactor.c
src/gromacs/libgromacs.pc.cmakein
src/programs/gmx/CMakeLists.txt
src/programs/gmx/legacymodules.cpp
src/tools/CMakeLists.txt
src/tools/g_membed.c [deleted file]
src/tools/g_pme_error.c
src/tools/g_tune_pme.c
src/tools/libgmxana.pc.cmakein [deleted file]