diff -Nru votca-csg-1.2.4/debian/changelog votca-csg-1.2.4/debian/changelog --- votca-csg-1.2.4/debian/changelog 2014-09-05 17:06:54.000000000 +0000 +++ votca-csg-1.2.4/debian/changelog 2015-10-20 17:27:44.000000000 +0000 @@ -1,3 +1,9 @@ +votca-csg (1.2.4-1+rpi1) stretch-staging; urgency=medium + + * Apply patch for gmx 51 support. + + -- Peter Michael Green Tue, 20 Oct 2015 17:27:34 +0000 + votca-csg (1.2.4-1) unstable; urgency=medium [ Christoph Junghans] diff -Nru votca-csg-1.2.4/debian/patches/series votca-csg-1.2.4/debian/patches/series --- votca-csg-1.2.4/debian/patches/series 1970-01-01 00:00:00.000000000 +0000 +++ votca-csg-1.2.4/debian/patches/series 2015-10-20 17:26:52.000000000 +0000 @@ -0,0 +1 @@ +votca-csg-1.2.4-gmx51.patch diff -Nru votca-csg-1.2.4/debian/patches/votca-csg-1.2.4-gmx51.patch votca-csg-1.2.4/debian/patches/votca-csg-1.2.4-gmx51.patch --- votca-csg-1.2.4/debian/patches/votca-csg-1.2.4-gmx51.patch 1970-01-01 00:00:00.000000000 +0000 +++ votca-csg-1.2.4/debian/patches/votca-csg-1.2.4-gmx51.patch 2015-10-20 17:26:03.000000000 +0000 @@ -0,0 +1,231 @@ +# HG changeset patch +# User Christoph Junghans +# Date 1440117040 21600 +# Thu Aug 20 18:30:40 2015 -0600 +# Branch stable +# Node ID 2ac404333901ea48af10251be0e0ce837f66b75c +# Parent cf1d3b66d1fd9f1327e203400418c3ac293cfe98 +added support for gromacs-5.1 + +diff -r cf1d3b66d1fd -r 2ac404333901 CMakeModules/FindGROMACS.cmake +--- a/CMakeModules/FindGROMACS.cmake Tue Apr 01 08:31:34 2014 -0600 ++++ b/CMakeModules/FindGROMACS.cmake Thu Aug 20 18:30:40 2015 -0600 +@@ -62,6 +62,10 @@ + if(FOUND_GROMACS_INIT_DOMDEC_VSITES) + set(GMX_VERSION 50) + endif(FOUND_GROMACS_INIT_DOMDEC_VSITES) ++ check_library_exists("${GROMACS_LIBRARY}" gmx_gpu_sharing_supported "" FOUND_GROMACS_GMX_GPU_SHARING_SUPPORTED) ++ if(FOUND_GROMACS_GMX_GPU_SHARING_SUPPORTED) ++ set(GMX_VERSION 51) ++ endif(FOUND_GROMACS_GMX_GPU_SHARING_SUPPORTED) + set(GROMACS_VERSION ${GMX_VERSION}) + + #Only set GROMACS_DEFINITIONS if GROMACS_LIBRARY was found +diff -r cf1d3b66d1fd -r 2ac404333901 src/libcsg/modules/io/gmx_print_version.cc +--- a/src/libcsg/modules/io/gmx_print_version.cc Tue Apr 01 08:31:34 2014 -0600 ++++ b/src/libcsg/modules/io/gmx_print_version.cc Thu Aug 20 18:30:40 2015 -0600 +@@ -18,7 +18,7 @@ + #include + #include + +-#if GMX == 50 ++#if (GMX == 50)||(GMX == 51) + #include + #elif GMX == 45 + #include +diff -r cf1d3b66d1fd -r 2ac404333901 src/libcsg/modules/io/gmx_version_check.cc +--- a/src/libcsg/modules/io/gmx_version_check.cc Tue Apr 01 08:31:34 2014 -0600 ++++ b/src/libcsg/modules/io/gmx_version_check.cc Thu Aug 20 18:30:40 2015 -0600 +@@ -19,7 +19,7 @@ + #include + #endif + +-#if GMX == 50 ++#if (GMX == 51)||(GMX == 50) + #include + #elif GMX == 45 + #include +diff -r cf1d3b66d1fd -r 2ac404333901 src/libcsg/modules/io/gmxtopologyreader.cc +--- a/src/libcsg/modules/io/gmxtopologyreader.cc Tue Apr 01 08:31:34 2014 -0600 ++++ b/src/libcsg/modules/io/gmxtopologyreader.cc Thu Aug 20 18:30:40 2015 -0600 +@@ -22,7 +22,11 @@ + #include + #include "gmxtopologyreader.h" + +-#if GMX == 50 ++#if GMX == 51 ++ #include ++ #include ++ #include ++#elif GMX == 50 + #include + #elif GMX == 45 + #include +@@ -59,7 +63,7 @@ + // cleanup topology to store new data + top.Cleanup(); + +-#if GMX == 50 ++#if (GMX == 50) || (GMX == 51) + t_inputrec ir; + ::matrix gbox; + +@@ -102,7 +106,7 @@ + t_atoms *atoms=&(mol->atoms); + + for(int i=0; i < atoms->nres; i++) { +-#if GMX == 50 ++#if (GMX == 50)|| (GMX == 51) + top.CreateResidue(*(atoms->resinfo[i].name)); + #elif GMX == 45 + top.CreateResidue(*(atoms->resinfo[i].name)); +@@ -131,7 +135,7 @@ + top.InsertExclusion(iatom+ifirstatom, excl_list); + + BeadType *type = top.GetOrCreateBeadType(*(atoms->atomtype[iatom])); +-#if GMX == 50 ++#if (GMX == 50)||(GMX == 51) + Bead *bead = top.CreateBead(1, *(atoms->atomname[iatom]), type, a->resind, a->m, a->q); + #elif GMX == 45 + Bead *bead = top.CreateBead(1, *(atoms->atomname[iatom]), type, a->resind, a->m, a->q); +diff -r cf1d3b66d1fd -r 2ac404333901 src/libcsg/modules/io/gmxtrajectoryreader.cc +--- a/src/libcsg/modules/io/gmxtrajectoryreader.cc Tue Apr 01 08:31:34 2014 -0600 ++++ b/src/libcsg/modules/io/gmxtrajectoryreader.cc Thu Aug 20 18:30:40 2015 -0600 +@@ -37,7 +37,7 @@ + + bool GMXTrajectoryReader::FirstFrame(Topology &conf) + { +-#if GMX == 50 ++#if (GMX == 51)||(GMX == 50) + + output_env_t oenv; + // _snew("oenv", oenv, 1); +@@ -101,7 +101,7 @@ + + bool GMXTrajectoryReader::NextFrame(Topology &conf) + { +-#if GMX == 50 ++#if (GMX == 51)||(GMX == 50) + output_env_t oenv; + //_snew("oenv", oenv, 1); + //oenv = (output_env_t)malloc(sizeof(*oenv)); +diff -r cf1d3b66d1fd -r 2ac404333901 src/libcsg/modules/io/gmxtrajectoryreader.h +--- a/src/libcsg/modules/io/gmxtrajectoryreader.h Tue Apr 01 08:31:34 2014 -0600 ++++ b/src/libcsg/modules/io/gmxtrajectoryreader.h Thu Aug 20 18:30:40 2015 -0600 +@@ -26,7 +26,10 @@ + #include + #include "gmx_version_check.h" + +-#if GMX == 50 ++#if GMX == 51 ++ #include ++ #include ++#elif GMX == 50 + #include + #elif GMX == 45 + #include +@@ -84,9 +87,7 @@ + string _filename; + + // gmx status used in read_first_frame and _read_next_frame; +-#if GMX == 50 +- t_trxstatus* _gmx_status; +-#elif GMX == 45 ++#if (GMX == 51)||(GMX == 50)||(GMX == 45) + t_trxstatus* _gmx_status; + #elif GMX == 40 + int _gmx_status; +diff -r cf1d3b66d1fd -r 2ac404333901 src/libcsg/modules/io/gmxtrajectorywriter.cc +--- a/src/libcsg/modules/io/gmxtrajectorywriter.cc Tue Apr 01 08:31:34 2014 -0600 ++++ b/src/libcsg/modules/io/gmxtrajectorywriter.cc Thu Aug 20 18:30:40 2015 -0600 +@@ -23,7 +23,7 @@ + + void GMXTrajectoryWriter::Open(string file, bool bAppend) + { +-#if GMX != 50 ++#if (GMX == 40)||(GMX == 45) + set_program_name("VOTCA"); + #endif + +@@ -71,7 +71,7 @@ + x[i][2] = v.getZ(); + } + +-#if GMX == 50 ++#if (GMX == 50)||(GMX == 51) + write_trxframe(_file, &frame, NULL); + #elif GMX == 45 + write_trxframe(_file, &frame, NULL); +diff -r cf1d3b66d1fd -r 2ac404333901 src/libcsg/modules/io/gmxtrajectorywriter.h +--- a/src/libcsg/modules/io/gmxtrajectorywriter.h Tue Apr 01 08:31:34 2014 -0600 ++++ b/src/libcsg/modules/io/gmxtrajectorywriter.h Thu Aug 20 18:30:40 2015 -0600 +@@ -26,7 +26,10 @@ + #include + #include "gmx_version_check.h" + +-#if GMX == 50 ++#if GMX == 51 ++ #include ++ #include ++#elif GMX == 50 + #include + #elif GMX == 45 + #include +@@ -71,9 +74,7 @@ + void Write(Topology *conf); + + private: +-#if GMX == 50 +- t_trxstatus* _file; +-#elif GMX == 45 ++#if (GMX == 51)||(GMX == 50)||(GMX == 45) + t_trxstatus* _file; + #elif GMX == 40 + int _file; +diff -r cf1d3b66d1fd -r 2ac404333901 src/libcsg/version.cc +--- a/src/libcsg/version.cc Tue Apr 01 08:31:34 2014 -0600 ++++ b/src/libcsg/version.cc Thu Aug 20 18:30:40 2015 -0600 +@@ -20,7 +20,7 @@ + #include + #include + +-#if GMX == 50 ++#if (GMX == 51)||(GMX == 50) + #include + #elif GMX == 45 + #include +# HG changeset patch +# User Christoph Junghans +# Date 1440170753 21600 +# Fri Aug 21 09:25:53 2015 -0600 +# Branch stable +# Node ID ecebd58d36b9f5cf9dab1bef6b295b6666a58fcc +# Parent 2ac404333901ea48af10251be0e0ce837f66b75c +pdbtopologyreader: add support for gromacs-5.1 + +diff -r 2ac404333901 -r ecebd58d36b9 src/libcsg/modules/io/pdbtopologyreader.cc +--- a/src/libcsg/modules/io/pdbtopologyreader.cc Thu Aug 20 18:30:40 2015 -0600 ++++ b/src/libcsg/modules/io/pdbtopologyreader.cc Fri Aug 21 09:25:53 2015 -0600 +@@ -22,7 +22,12 @@ + #include + #include "pdbtopologyreader.h" + +-#if GMX == 50 ++#if GMX == 51 ++ #include ++ #include ++ #include ++ #include ++#elif GMX == 50 + #include + #include + #include +@@ -65,7 +70,7 @@ + ::matrix box; + int ePBC; + t_atoms atoms; +-#if GMX != 50 ++#if (GMX == 40)||(GMX == 45) + set_program_name("VOTCA"); + #endif +