[med-svn] r17714 - in trunk/packages/autodocksuite/trunk/debian: . patches

Andreas Tille tille at moszumanska.debian.org
Wed Aug 13 06:14:57 UTC 2014


Author: tille
Date: 2014-08-13 06:14:56 +0000 (Wed, 13 Aug 2014)
New Revision: 17714

Added:
   trunk/packages/autodocksuite/trunk/debian/patches/create_fake_autoreconf_files.patch
Removed:
   trunk/packages/autodocksuite/trunk/debian/README.source
   trunk/packages/autodocksuite/trunk/debian/patches/MoreConst_2013_1.patch
   trunk/packages/autodocksuite/trunk/debian/patches/MoreConst_2013_2.patch
   trunk/packages/autodocksuite/trunk/debian/patches/fix_test_outputdir.patch
   trunk/packages/autodocksuite/trunk/debian/patches/make.patch
Modified:
   trunk/packages/autodocksuite/trunk/debian/changelog
   trunk/packages/autodocksuite/trunk/debian/patches/series
Log:
Adapt patches


Deleted: trunk/packages/autodocksuite/trunk/debian/README.source
===================================================================
--- trunk/packages/autodocksuite/trunk/debian/README.source	2014-08-13 05:47:48 UTC (rev 17713)
+++ trunk/packages/autodocksuite/trunk/debian/README.source	2014-08-13 06:14:56 UTC (rev 17714)
@@ -1 +0,0 @@
-The folder structure was simplified, i.e. /src renamed to autodock-<version> .

Modified: trunk/packages/autodocksuite/trunk/debian/changelog
===================================================================
--- trunk/packages/autodocksuite/trunk/debian/changelog	2014-08-13 05:47:48 UTC (rev 17713)
+++ trunk/packages/autodocksuite/trunk/debian/changelog	2014-08-13 06:14:56 UTC (rev 17714)
@@ -1,6 +1,6 @@
 autodocksuite (4.2.6-1) UNRELEASED; urgency=medium
 
-  * New upstream version
+  * New upstream version (adapt patches)
   * d/copyright: DEP5
 
  -- Andreas Tille <tille at debian.org>  Wed, 13 Aug 2014 07:37:23 +0200

Deleted: trunk/packages/autodocksuite/trunk/debian/patches/MoreConst_2013_1.patch
===================================================================
--- trunk/packages/autodocksuite/trunk/debian/patches/MoreConst_2013_1.patch	2014-08-13 05:47:48 UTC (rev 17713)
+++ trunk/packages/autodocksuite/trunk/debian/patches/MoreConst_2013_1.patch	2014-08-13 06:14:56 UTC (rev 17714)
@@ -1,92 +0,0 @@
-Index: autodocksuite-4.2.5.1/autodock/eval.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/eval.cc
-+++ autodocksuite-4.2.5.1/autodock/eval.cc
-@@ -63,7 +63,7 @@
-        tor 1, ..., tor N are the ntor torsion angles
- */
- 
--void make_state_from_rep(const Representation *const *const rep, /* not const */ State *const stateNow, const int outlev, FILE *logFile) /* not a member function */
-+void make_state_from_rep(const Representation *const *const rep, /* not const */ State *const stateNow, const int outlev, FILE *const logFile) /* not a member function */
- /*
-     This routine modifies the various components of stateNow to correspond
-     to the chromosome.  
-@@ -252,7 +252,7 @@
- }
- 
- int Eval::write(const Representation *const *const rep,
-- const int true_ligand_atoms, const int outlev, FILE *logFile)
-+ const int true_ligand_atoms, const int outlev, FILE *const logFile)
- {
-     int i=0, retval=0;
-     //char rec14[14];
-@@ -272,14 +272,14 @@
- }
- 
- #if defined(USING_COLINY) // {
--double Eval::operator()(const double* const vec, const int len, const int outlev, FILE *logFile)
-+double Eval::operator()(const double* const vec, const int len, const int outlev, FILE *const logFile)
- {
-    make_state_from_rep(vec, len, &stateNow, outlev, logFile);
-    return eval();
- }
- 
- 
--void make_state_from_rep(const double *const rep, const int n, /* not const */ State *const now, const int outlev, FILE *logFile)
-+void make_state_from_rep(const double *const rep, const int n, /* not const */ State *const now, const int outlev, FILE *const logFile)
- {
- #   ifdef DEBUG
-     (void)fprintf(logFile, "eval.cc/make_state_from_rep(double *rep, int n, State *now)\n");
-Index: autodocksuite-4.2.5.1/autodock/eval.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/eval.h
-+++ autodocksuite-4.2.5.1/autodock/eval.h
-@@ -49,7 +49,7 @@
- void make_state_from_rep(const double *const x, const int n, State *const now);
- #endif
- 
--void make_state_from_rep(const Representation *const *const rep, State *const stateNow, int outlev, FILE *logFile);
-+void make_state_from_rep(const Representation *const *const rep, State *const stateNow, int outlev, FILE *const logFile);
- 
- class Eval
- {
-@@ -120,7 +120,7 @@
-                   const Boole  init_B_have_flexible_residues,
- 		  int init_true_ligand_atoms,
- 		  int init_outlev,
--		  FILE *init_logFile
-+		  FILE *const init_logFile
-                   );
-       void update_crds( Real init_crd[MAX_ATOMS][SPACE], 
-                         Real init_vt[MAX_TORS][SPACE] );
-@@ -134,7 +134,7 @@
-       double eval(const int); // GMM - allows calculation of a particular term of the total energy
-       UnsignedFourByteLong evals(void);
-       void reset(void);
--      int write(const Representation *const *const rep, const int true_ligand_atoms, const int outlev, FILE *logFile);
-+      int write(const Representation *const *const rep, const int true_ligand_atoms, const int outlev, FILE *const logFile);
-       void compute_intermol_energy(const Boole init_B_compute_intermol_energy); // for computing unbound state
- };
- 
-@@ -182,7 +182,7 @@
-                         const Boole init_B_have_flexible_residues,
- 		       int init_true_ligand_atoms,
- 		       int init_outlev,
--		       FILE *init_logFile
-+		       FILE *const init_logFile
-                        )
- 
- {
-Index: autodocksuite-4.2.5.1/autodock/qmultiply.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/qmultiply.cc
-+++ autodocksuite-4.2.5.1/autodock/qmultiply.cc
-@@ -514,7 +514,7 @@
-         ratioB = sin(t * halfTheta) / sinHalfTheta; 
-     } else {
-         // qa and qb (qb_local) are very close, so we can do a linear interpolation
--        ratioA = 1 - t ;
-+        ratioA = 1. - t ;
-         ratioB = t; 
-     }
- 	// Calculate final values

Deleted: trunk/packages/autodocksuite/trunk/debian/patches/MoreConst_2013_2.patch
===================================================================
--- trunk/packages/autodocksuite/trunk/debian/patches/MoreConst_2013_2.patch	2014-08-13 05:47:48 UTC (rev 17713)
+++ trunk/packages/autodocksuite/trunk/debian/patches/MoreConst_2013_2.patch	2014-08-13 06:14:56 UTC (rev 17714)
@@ -1,886 +0,0 @@
-Index: autodocksuite-4.2.5.1/autodock/rep.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/rep.cc
-+++ autodocksuite-4.2.5.1/autodock/rep.cc
-@@ -914,7 +914,7 @@
- 
- //______________________________________________________________________________
- //
--void BitVector::write(const FourByteLong& value, const int gene) 
-+void BitVector::write(const FourByteLong& value, const int gene)
- {
- 
- #ifdef DEBUG
-Index: autodocksuite-4.2.5.1/autodock/conformation_sampler.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/conformation_sampler.cc
-+++ autodocksuite-4.2.5.1/autodock/conformation_sampler.cc
-@@ -71,7 +71,7 @@
-                               {ICO_Y, ICO_X, 0.}, {-ICO_Y, ICO_X, 0.}, {ICO_Y, -ICO_X, 0.}, {-ICO_Y, -ICO_X, 0.}};
- 
- ConformationSampler::ConformationSampler(const State& init_state, 
-- int true_ligand_atoms, int outlev, FILE *logFile) {
-+ const int true_ligand_atoms, const int outlev, FILE *const logFile) {
- 	base_state = init_state;
- 	base_ind = set_ind(info, init_state);
- 	base_point = base_ind.phenotyp;	
-@@ -116,11 +116,11 @@
- 	}
- }
- 
--void ConformationSampler::random_sample(int true_ligand_atoms, int outlev, FILE *logFile) {
-+void ConformationSampler::random_sample(const int true_ligand_atoms, const int outlev, FILE *const logFile) {
- 	random_sample(1, true_ligand_atoms, outlev, logFile);
- }
- 
--void ConformationSampler::random_sample(const int num_samples, int true_ligand_atoms, int outlev, FILE *logFile) {
-+void ConformationSampler::random_sample(const int num_samples, const int true_ligand_atoms, const int outlev, FILE *const logFile) {
- 	Real multiplier;
- 	
- 	for (int sample=0; sample < num_samples; sample++) {
-@@ -152,7 +152,7 @@
- 
- // NOTE: currently, the torsional free energy penalty is not included.
- // Since this is an entropic term, I believe we can ignore it in this analysis.
--Real ConformationSampler::current_energy(int true_ligand_atoms, int outlev, FILE *logFile) /* not const */ {
-+Real ConformationSampler::current_energy(const int true_ligand_atoms, const int outlev, FILE *const logFile) /* not const */ {
- 	evals++;
- 	Real energy = probe_point.evaluate(Normal_Eval);
- 	Real rmsd = current_rmsd(true_ligand_atoms, outlev, logFile);
-@@ -198,7 +198,7 @@
- }
- 
- Real ConformationSampler::current_rmsd(
-- int true_ligand_atoms, int outlev, FILE *logFile) /* not const */ {
-+ const int true_ligand_atoms, const int outlev, FILE *const logFile) /* not const */ {
- 	probe_ind.phenotyp = probe_point;
- 	probe_ind.inverse_mapping();
- 	probe_state = probe_ind.state(base_state.ntor);
-@@ -245,7 +245,7 @@
- 	}
- }
- 
--void ConformationSampler::systematic_search(const int index, int true_ligand_atoms, int outlev, FILE *logFile) {
-+void ConformationSampler::systematic_search(const int index, const int true_ligand_atoms, const int outlev, FILE *const logFile) {
- 	
- 	// for rotation axes, rotate using the pre-defined vertices 
- 	if ( is_axis_index( index ) ) {
-@@ -369,7 +369,7 @@
- 	return RT_CONSTANT*log(Vtot*Vconf*Boltzmann_diff_sum);
- }
- 
--void ConformationSampler::output_statistics(int outlev, FILE *logFile) const {
-+void ConformationSampler::output_statistics(const int outlev, FILE *const logFile) const {
- 	if(outlev<0) return;
- 	fprintf(logFile, "Conformation starting energy: %.3f\n", base_energy);
- 	fprintf(logFile, "RMSD from reference state: %.3f\n", reference_rmsd());
-@@ -391,7 +391,7 @@
- }
- 
- void systematic_conformation_sampler(const State hist[MAX_RUNS], const int nconf, Real init_vt[MAX_TORS][SPACE], Real init_crdpdb[MAX_ATOMS][SPACE], int init_tlist[MAX_TORS+1][MAX_ATOMS], Real init_lig_center[SPACE], const int init_natom, int init_type[MAX_ATOMS], GridMapSetInfo *const init_info,
-- int true_ligand_atoms, int outlev, FILE *logFile) {
-+ const int true_ligand_atoms, const int outlev, FILE *const logFile) {
- 	vt = init_vt;
- 	crdpdb = init_crdpdb;
- 	tlist = init_tlist;
-@@ -415,7 +415,7 @@
- }
- 
- void random_conformation_sampler(const State hist[MAX_RUNS], const int nconf, /* not const */ int num_samples, Real init_vt[MAX_TORS][SPACE], Real init_crdpdb[MAX_ATOMS][SPACE], int init_tlist[MAX_TORS+1][MAX_ATOMS], Real init_lig_center[SPACE], const int init_natom, int init_type[MAX_ATOMS], GridMapSetInfo *const init_info,
-- int true_ligand_atoms, int outlev, FILE *logFile) {
-+ const int true_ligand_atoms, const int outlev, FILE *const logFile) {
- 	vt = init_vt;
- 	crdpdb = init_crdpdb;
- 	tlist = init_tlist;
-@@ -442,7 +442,7 @@
- 
- 
- /* copied (and slightly modified) from non-included code in call_glss.cc */
--Individual set_ind(GridMapSetInfo *const info, const State state)
-+Individual set_ind(const GridMapSetInfo *const info, const State& state) // ATTENTION: Steffen changed 2013 const State to const State &
- {
-    Genotype temp_Gtype;
-    Phenotype temp_Ptype;
-@@ -500,7 +500,7 @@
- 	Real angle_sin = sin(raa[3]);
- 	Real t = 1.0 - angle_cos;
- 	
--	// make sure that input vecotr is a unit vector
-+	// make sure that input vector is a unit vector
- 	Real length = hypotenuse(raa[0], raa[1], raa[2]);
- 	raa[0] /= length;
- 	raa[1] /= length;
-Index: autodocksuite-4.2.5.1/autodock/conformation_sampler.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/conformation_sampler.h
-+++ autodocksuite-4.2.5.1/autodock/conformation_sampler.h
-@@ -65,20 +65,20 @@
- 		Real bin_Boltzmann_sum[NUM_BINS];
- 
- 		ConformationSampler(const State&,
--		  int true_ligand_atoms, int outlev, FILE *logFile);
-+		  const int true_ligand_atoms, const int outlev, FILE *const logFile);
- 		~ConformationSampler(void);
- 
--		void random_sample(int true_ligand_atoms, int outlev, FILE *logFile);
--		void random_sample(const int, int true_ligand_atoms, int outlev, FILE *logFile);
--		void systematic_search(const int index, int true_ligand_atoms, int outlev, FILE *logFile);
--		Real current_energy(int true_ligand_atoms, int outlev, FILE *logFile); /* not const */ 
--		Real current_rmsd(int true_ligand_atoms, int outlev, FILE *logFile); /* not const */ 
-+		void random_sample(const int true_ligand_atoms, const int outlev, FILE *const logFile);
-+		void random_sample(const int, const int true_ligand_atoms, const int outlev, FILE *const logFile);
-+		void systematic_search(const int index, const int true_ligand_atoms, const int outlev, FILE *const logFile);
-+		Real current_energy(const int true_ligand_atoms, const int outlev, FILE *const logFile); /* not const */
-+		Real current_rmsd(const int true_ligand_atoms, const int outlev, FILE *const logFile); /* not const */
- 		Real reference_rmsd(void) const;
- 		Real fraction_favorable(void) const;
- 		Real average_favorable_energy(void) const;
- 		Real energy_volume(void) const;
- 		Real RK_entropy(void) const;
--		void output_statistics(int outlev, FILE *logFile) const;
-+		void output_statistics(const int outlev, FILE *const logFile) const;
- 		Real partition_function(void) const;
- 		Real partition_function(int bin) const;
- 		Real entropy_estimate(void) const;
-@@ -93,16 +93,16 @@
- 		const int nconf, Real init_vt[MAX_TORS][SPACE], Real init_crdpdb[MAX_ATOMS][SPACE],
- 		int init_tlist[MAX_TORS+1][MAX_ATOMS], Real init_lig_center[SPACE],
- 		const int init_natom, int init_type[MAX_ATOMS], GridMapSetInfo *const init_info,
--		int true_ligand_atoms, int outlev, FILE *logFile);
-+		const int true_ligand_atoms, const int outlev, FILE *const logFile);
- 
- void random_conformation_sampler(const State hist[MAX_RUNS], const int nconf,
- 		/* const */ int num_samples, Real init_vt[MAX_TORS][SPACE],
- 		Real init_crdpdb[MAX_ATOMS][SPACE], int init_tlist[MAX_TORS+1][MAX_ATOMS],
- 		Real init_lig_center[SPACE], const int init_natom, int init_type[MAX_ATOMS],
- 		GridMapSetInfo *const init_info,
--		int true_ligand_atoms, int outlev, FILE *logFile);
-+		const int true_ligand_atoms, const int outlev, FILE *const logFile);
- 
--Individual set_ind(GridMapSetInfo *const info, const State state);
-+Individual set_ind(const GridMapSetInfo *const info, const State& state); // Attention, newly changed const State to State&
- void raaEuler(const Real raa[4], /* not const */ Real euler[3]);
- void testMatrix(void);
- void raaMatrix(Real raa[4], Real matrix[3][3]);
-Index: autodocksuite-4.2.5.1/autodock/eintcal.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/eintcal.cc
-+++ autodocksuite-4.2.5.1/autodock/eintcal.cc
-@@ -55,7 +55,7 @@
-               const Boole B_use_non_bond_cutoff,
-               const Boole B_have_flexible_residues,  // if the receptor has flexibile residues, this will be set to TRUE
- 	      const int outlev,
--	      FILE *logFile
-+	      FILE *const logFile
-              )
- 
- #else 
-@@ -80,7 +80,7 @@
- 		   const int type[],
- 		   char const atom_type_name[MAX_MAPS][3],
- 		   const int outlev,
--		   FILE *logFile
-+		   FILE *const logFile
-                   )
- // eintcalPrint ]
- 
-Index: autodocksuite-4.2.5.1/autodock/eintcal.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/eintcal.h
-+++ autodocksuite-4.2.5.1/autodock/eintcal.h
-@@ -46,6 +46,6 @@
-                const Boole B_use_non_bond_cutoff,
-                const Boole B_have_flexible_residues,
- 	       const int outlev,
--	       FILE *logFile);
-+	       FILE *const logFile);
- 
- #endif        /*!EINTCAL*/
-Index: autodocksuite-4.2.5.1/autodock/intnbtable.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/intnbtable.cc
-+++ autodocksuite-4.2.5.1/autodock/intnbtable.cc
-@@ -51,8 +51,8 @@
- #endif
- 
- extern int debug;
--static void printminvalue( char *label, const Real e_vdW_Hb[NEINT][MAX_ATOM_TYPES][MAX_ATOM_TYPES],
-- const int neint, const int a1, const int a2, FILE *logFile);  // see end of this file
-+static void printminvalue(const char *const label, const Real e_vdW_Hb[NEINT][MAX_ATOM_TYPES][MAX_ATOM_TYPES],
-+ const int neint, const int a1, const int a2, FILE *const logFile);  // see end of this file
- 
- 
- void intnbtable( Boole *const P_B_havenbp,
-@@ -69,7 +69,7 @@
-                  ConstDouble sigma,
-                  /* not const */ EnergyTables *const ad_tables,
-                  const Boole B_is_unbound_calculation,
--		 FILE *logFile,
-+		 FILE *const logFile,
- 		 const int outlev)
- {
-     /* Local variables: */
-@@ -260,7 +260,7 @@
- /* end of intnbtable */
- 
- 
--void setup_distdepdiel( FILE *logFile,
-+void setup_distdepdiel( FILE *const logFile,
- 			const int outlev, 
-                         EnergyTables *const ptr_ad_energy_tables  // Holds vdw+Hb, desolvation & dielectric lookup tables
-                       )
-@@ -291,8 +291,8 @@
- }
- /* end of setup_distdepdiel */
- 
--static void printminvalue( char *label, const Real e_vdW_Hb[NEINT][MAX_ATOM_TYPES][MAX_ATOM_TYPES],
-- const int neint, const int a1, const int a2, FILE *logFile) 
-+static void printminvalue(const char *const label, const Real e_vdW_Hb[NEINT][MAX_ATOM_TYPES][MAX_ATOM_TYPES],
-+ const int neint, const int a1, const int a2, FILE *const logFile)
- {
-    /* report distance range over which minimum value appears - a 'smoothing' debug tool mostly */
- int i;
-Index: autodocksuite-4.2.5.1/autodock/intnbtable.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/intnbtable.h
-+++ autodocksuite-4.2.5.1/autodock/intnbtable.h
-@@ -44,6 +44,6 @@
-                 ConstDouble sigma,
-                 /* not const */ EnergyTables *const ad_tables,
-                 const Boole B_is_unbound_calculation,
--		FILE *logFile,
-+		FILE *const logFile,
- 		const int outlev);
- #endif
-Index: autodocksuite-4.2.5.1/autodock/mkNewState.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/mkNewState.cc
-+++ autodocksuite-4.2.5.1/autodock/mkNewState.cc
-@@ -50,7 +50,7 @@
-                 const int N_con[MAX_TORS],
- 		const int true_ligand_atoms,
- 		const int outlev,
--		FILE *logFile)
-+		FILE *const logFile)
-     // Create a new state, based on the current state
- {
-     register int i;
-Index: autodocksuite-4.2.5.1/autodock/mkNewState.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/mkNewState.h
-+++ autodocksuite-4.2.5.1/autodock/mkNewState.h
-@@ -55,5 +55,5 @@
- 		  const int   N_con[MAX_TORS],
- 		  const int true_ligand_atoms,
- 		  const int outlev,
--		  FILE *logFile);
-+		  FILE *const logFile);
- #endif
-Index: autodocksuite-4.2.5.1/autodock/mkRandomState.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/mkRandomState.cc
-+++ autodocksuite-4.2.5.1/autodock/mkRandomState.cc
-@@ -34,10 +34,10 @@
- #include "mkRandomState.h"
- 
- 
--State mkRandomState( int   ntor,
--		     Real F_TorConRange[MAX_TORS][MAX_TOR_CON][2],
--		     int   N_con[MAX_TORS],
--                     GridMapSetInfo *info)
-+State mkRandomState( const int ntor,
-+		     const Real F_TorConRange[MAX_TORS][MAX_TOR_CON][2],
-+		     const int N_con[MAX_TORS],
-+                     const GridMapSetInfo *const info)
- 
- {
-     State now;
-Index: autodocksuite-4.2.5.1/autodock/mkRandomState.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/mkRandomState.h
-+++ autodocksuite-4.2.5.1/autodock/mkRandomState.h
-@@ -29,8 +29,8 @@
- 
- #include "constants.h"
- 
--State mkRandomState( int   ntor,
--		     Real F_TorConRange[MAX_TORS][MAX_TOR_CON][2],
--		     int   N_con[MAX_TORS],
--                     GridMapSetInfo *info);
-+State mkRandomState( const int   ntor,
-+		     const Real F_TorConRange[MAX_TORS][MAX_TOR_CON][2],
-+		     const int   N_con[MAX_TORS],
-+                     const GridMapSetInfo *const info);
- #endif
-Index: autodocksuite-4.2.5.1/autodock/mkTorTree.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/mkTorTree.cc
-+++ autodocksuite-4.2.5.1/autodock/mkTorTree.cc
-@@ -58,9 +58,9 @@
- /* not const */ Real  *const P_squpper,
- /* not const */ int   *const P_ntorsdof,
- /* not const */ int   ignore_inter[MAX_ATOMS],
--	int true_ligand_atoms,
--	int outlev,
--	FILE *logFile)
-+          const int true_ligand_atoms,
-+          const int outlev,
-+                FILE *const logFile)
- 
- {
- 
-Index: autodocksuite-4.2.5.1/autodock/mkTorTree.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/mkTorTree.h
-+++ autodocksuite-4.2.5.1/autodock/mkTorTree.h
-@@ -46,7 +46,7 @@
-                 Real *const P_squpper,
-                 int   *const P_ntorsdof,
-                 int   ignore_inter[MAX_ATOMS],
--		int true_ligand_atoms,
--		int outlev,
--		FILE *logFile);
-+		const int true_ligand_atoms,
-+		const int outlev,
-+		FILE *const logFile);
- #endif
-Index: autodocksuite-4.2.5.1/autodock/nonbonds.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/nonbonds.cc
-+++ autodocksuite-4.2.5.1/autodock/nonbonds.cc
-@@ -50,9 +50,9 @@
-               const int         bonded[MAX_ATOMS][MAX_NBONDS],
- 	      const int debug,
- 	      const int outlev,
--	      FILE *logFile)
-+	      FILE *const logFile)
- {
--	int i,j,k,l;
-+    int i,j,k,l;
-     int nonbond_type;
-     int errorcode = 0;
- 
-@@ -137,7 +137,7 @@
-               /* not const */ int bonded[MAX_ATOMS][MAX_NBONDS],
- 	      const int debug,
- 	      const int outlev,
--	      FILE *logFile
-+	      FILE *const logFile
- 	      )
- {
- 	int i,j;
-@@ -240,7 +240,7 @@
- /*----------------------------------------------------------------------------*/
- 
- void printbonds(const int natom, const int nbonds[MAX_ATOMS], const int bonded[MAX_ATOMS][MAX_NBONDS], const char *message, const int B_print_all_bonds,
--const int outlev, FILE *logFile)
-+const int outlev, FILE *const logFile)
- {
-     pr(logFile, "%s", message);
-     for (int i = 0; i<natom; i++) {  // loop over atoms, "i", from 1 to natom
-@@ -256,7 +256,7 @@
- 
- /*----------------------------------------------------------------------------*/
- 
--void print_1_4_message(const Boole B_include_1_4_interactions, const Real scale_1_4, const int outlev, FILE *logFile)
-+void print_1_4_message(const Boole B_include_1_4_interactions, const Real scale_1_4, const int outlev, FILE *const logFile)
- {
-     if (B_include_1_4_interactions == FALSE) {
- 	if(outlev >= LOGBASIC)
-Index: autodocksuite-4.2.5.1/autodock/nonbonds.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/nonbonds.h
-+++ autodocksuite-4.2.5.1/autodock/nonbonds.h
-@@ -37,7 +37,7 @@
- 	const int bonded[MAX_ATOMS][MAX_NBONDS],
- 	const int debug,
- 	const int outlev,
--	FILE *logFile);
-+	FILE *const logFile);
- #endif
- 
- #ifndef GETBONDS
-@@ -52,13 +52,13 @@
-               /* not const */ int bonded[MAX_ATOMS][MAX_NBONDS],
- 	      const int debug,
- 	      const int outlev,
--	      FILE *logFile);
-+	      FILE *const logFile);
- #endif
- 
- #ifndef PRINTBONDS
- #define PRINTBONDS
- #include "constants.h"
--void printbonds(const int natom, const int nbonds[MAX_ATOMS], const int bonded[MAX_ATOMS][MAX_NBONDS], const char *message, const int B_print_all_bonds, const int outlev, FILE *logFile);
-+void printbonds(const int natom, const int nbonds[MAX_ATOMS], const int bonded[MAX_ATOMS][MAX_NBONDS], const char *message, const int B_print_all_bonds, const int outlev, FILE *const logFile);
- #endif
- 
- #ifndef PRINT14
-@@ -66,5 +66,5 @@
- #include "constants.h"
- #include <stdio.h>
- void print_1_4_message(Boole B_include_1_4_interactions,  Real scale_1_4,
--const int outlev, FILE *logFile);
-+const int outlev, FILE *const logFile);
- #endif
-Index: autodocksuite-4.2.5.1/autodock/readPDBQT.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/readPDBQT.cc
-+++ autodocksuite-4.2.5.1/autodock/readPDBQT.cc
-@@ -96,7 +96,7 @@
-                     /* not const */ int end_of_branch[MAX_TORS],
- 		    const int debug,
-                     const int outlev,
--		    FILE *logFile
-+		    FILE *const logFile
-                     )
- 
- {
-@@ -667,7 +667,7 @@
-                Real *const ptr_q,
-                ParameterEntry *const this_parameter_entry,
- 	       const int outlev,
--	       FILE *logFile)
-+	       FILE *const logFile)
- /*----------------------------------------------------------------------------*/
- {
-     char char8[9];
-Index: autodocksuite-4.2.5.1/autodock/readPDBQT.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/readPDBQT.h
-+++ autodocksuite-4.2.5.1/autodock/readPDBQT.h
-@@ -46,7 +46,7 @@
-                      Real *const P_q,
-                      ParameterEntry *thisparm,
- 		     const int outlev,
--		     FILE *logFile);
-+		     FILE *const logFile);
- 
- Molecule readPDBQT( char  line[LINE_LEN],
- 
-@@ -98,6 +98,6 @@
-               /* not const */ int end_of_branch[MAX_TORS],
-               const int   debug,
-               const int   outlev,
--	      FILE *logFile
-+	      FILE *const logFile
-               );
- #endif
-Index: autodocksuite-4.2.5.1/autodock/torNorVec.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/torNorVec.cc
-+++ autodocksuite-4.2.5.1/autodock/torNorVec.cc
-@@ -41,7 +41,7 @@
- 		const int tlist[MAX_TORS][MAX_ATOMS],
- 		/* not const */ Real vt[MAX_TORS][SPACE],
- 		const int outlev,
--		FILE *logFile)
-+		FILE *const logFile)
- {
- 
-     register int xyz = 0;
-@@ -99,7 +99,7 @@
-                              /* not const */ Molecule *ligand,
-                              const int debug,
- 			     const int outlev,
--			     FILE *logFile)
-+			     FILE *const logFile)
- { // Update the unit vectors for the torsion rotations
-     register int i=0, j=0;
-     if (debug > 0) {
-Index: autodocksuite-4.2.5.1/autodock/torNorVec.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/torNorVec.h
-+++ autodocksuite-4.2.5.1/autodock/torNorVec.h
-@@ -36,7 +36,7 @@
-                  const int   tlist[MAX_TORS+1][MAX_ATOMS],
-                  /* not const */ Real vt[MAX_TORS][SPACE],
- 		 const int outlev,
--		 FILE *logFile);
-+		 FILE *const logFile);
- 
- void update_torsion_vectors( const Real crdpdb[MAX_ATOMS][SPACE],
-                              const int ntor,
-@@ -45,6 +45,6 @@
-                              /* not const */ Molecule *ligand,
-                              const int debug,
- 			     const int outlev,
--			     FILE *logFile);
-+			     FILE *const logFile);
- 
- #endif
-Index: autodocksuite-4.2.5.1/autodock/weedbonds.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/weedbonds.cc
-+++ autodocksuite-4.2.5.1/autodock/weedbonds.cc
-@@ -48,7 +48,7 @@
-                 const int type[MAX_ATOMS],
- 		const int debug,
-                 const int outlev,
--		FILE *logFile)
-+		FILE *const logFile)
- 
- {
-     int a11=0;
-@@ -246,7 +246,7 @@
-                 const NonbondParam *const nonbondlist,
-                 const int type[MAX_ATOMS],
-                 const int outlev,
--		FILE *logFile)
-+		FILE *const logFile)
- 
- {
-     register int i = 0;
-Index: autodocksuite-4.2.5.1/autodock/weedbonds.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/weedbonds.h
-+++ autodocksuite-4.2.5.1/autodock/weedbonds.h
-@@ -44,7 +44,7 @@
- 		 const int   type[MAX_ATOMS],
- 		 const int   debug,
-                  const int   outlev,
--		 FILE *logFile);
-+		 FILE *const logFile);
- #endif
- 
- 
-@@ -66,6 +66,6 @@
-                 const NonbondParam *nonbondlist,
-                 const int type[MAX_ATOMS],
-                 const int outlev,
--		FILE *logFile);
-+		FILE *const logFile);
- #endif
- 
-Index: autodocksuite-4.2.5.1/autodock/analysis.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/analysis.cc
-+++ autodocksuite-4.2.5.1/autodock/analysis.cc
-@@ -102,7 +102,7 @@
-                const Boole B_rms_heavy_atoms_only,
-                const int h_index,
-                const int   outlev,
--	       FILE *logFile
-+	       FILE *const logFile
- 
-               )
- 
-Index: autodocksuite-4.2.5.1/autodock/analysis.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/analysis.h
-+++ autodocksuite-4.2.5.1/autodock/analysis.h
-@@ -87,6 +87,6 @@
-                 const Boole B_rms_heavy_atoms_only,
-                 const int h_index,
-                 const int   outlev,
--		FILE *logFile
-+		FILE *const logFile
-                );
- #endif
-Index: autodocksuite-4.2.5.1/autodock/calculateEnergies.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/calculateEnergies.cc
-+++ autodocksuite-4.2.5.1/autodock/calculateEnergies.cc
-@@ -72,7 +72,7 @@
-     const Real           qsp_abs_charge[MAX_ATOMS], // input  q-solvation parameters
-     const Boole          B_use_non_bond_cutoff,     // input  boolean whether to use a nonbond distance cutoff
-     const int outlev,
--    FILE *logFile
-+    FILE *const logFile
- 
- )
- 
-@@ -189,7 +189,7 @@
-     const Boole          B_use_non_bond_cutoff,     // input  boolean whether to use a nonbond distance cutoff
-     const Unbound_Model  ad4_unbound_model,
-     const int outlev,
--    FILE *logFile
-+    FILE *const logFile
- 
- )
- 
-Index: autodocksuite-4.2.5.1/autodock/calculateEnergies.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/calculateEnergies.h
-+++ autodocksuite-4.2.5.1/autodock/calculateEnergies.h
-@@ -61,7 +61,7 @@
-     const Boole          B_use_non_bond_cutoff,     // input  boolean whether to use a nonbond distance cutoff
-     const Unbound_Model ad4_unbound_model,
-     const int outlev,
--    FILE *logFile
-+    FILE *const logFile
- 
- );
- 
-@@ -103,7 +103,7 @@
-     const Boole          B_use_non_bond_cutoff,     // input  boolean whether to use a nonbond distance cutoff
-     const Unbound_Model  ad4_unbound_model,
-     const int outlev,
--    FILE *logFile
-+    FILE *const logFile
- 
- );
- 
-Index: autodocksuite-4.2.5.1/autodock/call_gs.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/call_gs.cc
-+++ autodocksuite-4.2.5.1/autodock/call_gs.cc
-@@ -47,11 +47,11 @@
- 
- extern Eval evaluate;
- 
--State call_gs(Global_Search *global_method, State& now, unsigned int num_evals, unsigned int pop_size,
--              Molecule *mol,
--              Output_pop_stats& extOutput_pop_stats,
--              GridMapSetInfo *info,
--              int end_of_branch[MAX_TORS], int outlev, FILE * logFile)
-+State call_gs(Global_Search *const global_method, const State& now, const unsigned int num_evals, const unsigned int pop_size,
-+              Molecule *const mol,
-+              const Output_pop_stats& extOutput_pop_stats,
-+              const GridMapSetInfo *const info,
-+              const int end_of_branch[MAX_TORS], const int outlev, FILE *const logFile)
- {
-    register unsigned int i;
- 
-Index: autodocksuite-4.2.5.1/autodock/clmode.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/clmode.cc
-+++ autodocksuite-4.2.5.1/autodock/clmode.cc
-@@ -55,7 +55,7 @@
-               const Boole B_rms_heavy_atoms_only,
-               const int h_index,
- 	      const int outlev,
--	      FILE *logFile)
-+	      FILE *const logFile)
- 
- {
-     FILE *clusFile;
-Index: autodocksuite-4.2.5.1/autodock/clmode.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/clmode.h
-+++ autodocksuite-4.2.5.1/autodock/clmode.h
-@@ -54,6 +54,6 @@
-               const Boole B_rms_heavy_atoms_only,
-               const int h_index,
- 	      const int outlev,
--	      FILE *logFile
-+	      FILE *const logFile
-               );
- #endif
-Index: autodocksuite-4.2.5.1/autodock/cnv_state_to_coords.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/cnv_state_to_coords.cc
-+++ autodocksuite-4.2.5.1/autodock/cnv_state_to_coords.cc
-@@ -50,7 +50,7 @@
-                           const int natom,
- 			  const int true_ligand_atoms,
- 			  const int outlev,
--			  FILE *logFile)
-+			  FILE *const logFile)
- 
- {
- #ifdef DEBUG
-Index: autodocksuite-4.2.5.1/autodock/getInitialState.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/getInitialState.cc
-+++ autodocksuite-4.2.5.1/autodock/getInitialState.cc
-@@ -99,7 +99,7 @@
-             const Boole B_have_flexible_residues,
-             const Unbound_Model ad4_unbound_model,
-             const int   outlev,
--	    FILE *logFile
-+	    FILE *const logFile
-            )
- 
- {
-Index: autodocksuite-4.2.5.1/autodock/getInitialState.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/getInitialState.h
-+++ autodocksuite-4.2.5.1/autodock/getInitialState.h
-@@ -92,7 +92,7 @@
-             const Boole B_have_flexible_residues,
-             const Unbound_Model ad4_unbound_model,
-             const int   outlev,
--	    FILE *logFile
-+	    FILE *const logFile
-            );
- 
- #endif
-Index: autodocksuite-4.2.5.1/autodock/gs.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/gs.cc
-+++ autodocksuite-4.2.5.1/autodock/gs.cc
-@@ -1415,7 +1415,7 @@
- //
- //  This is where the action is... SEARCH!
- //
--int Genetic_Algorithm::search(Population &solutions, int outlev, FILE *logFile)
-+int Genetic_Algorithm::search(Population &solutions, const int outlev, FILE *const logFile)
- {
-    register unsigned int i;
- 
-@@ -1516,8 +1516,8 @@
-    }
-    return(0);
- }
--int Genetic_Algorithm::localsearch(Population &thisPop, Local_Search *local_method, 
-- int outlev, FILE *logFile)
-+int Genetic_Algorithm::localsearch(Population &thisPop, Local_Search *const local_method,
-+ const int outlev, FILE *const logFile)
- {
- 	// apply local search (if not NULL) to population with 
- 	// frequency search_freq
-Index: autodocksuite-4.2.5.1/autodock/gs.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/gs.h
-+++ autodocksuite-4.2.5.1/autodock/gs.h
-@@ -46,8 +46,8 @@
-    public:
-       Global_Search(unsigned int init_max_evals, unsigned int init_max_generations);
-       virtual ~Global_Search(void);
--      virtual int search(Population &, int, FILE *) = 0;
--      virtual int localsearch(Population &, Local_Search *, int, FILE *) = 0;
-+      virtual int search(Population &, const int, FILE *const) = 0;
-+      virtual int localsearch(Population &, Local_Search *const, int, FILE *) = 0;
-       virtual int terminate(void) = 0;
-       virtual void reset(void) = 0;
-       virtual void reset(const Output_pop_stats&) = 0;
-@@ -137,8 +137,8 @@
-       char * shortname(void);
-       char * longname(void);
-       int terminate(void);
--      int search(Population &, int, FILE *);
--      int localsearch(Population &, Local_Search *, int, FILE *);
-+      int search(Population &, const int, FILE *const);
-+      int localsearch(Population &, Local_Search *, const int, FILE *const);
-       int set_linear_ranking_selection_probability_ratio(ConstReal );
-       
- };
-Index: autodocksuite-4.2.5.1/autodock/investigate.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/investigate.cc
-+++ autodocksuite-4.2.5.1/autodock/investigate.cc
-@@ -94,7 +94,7 @@
-                     const int h_index,
- 		    const int true_ligand_atoms,
- 		    const int outlev,
--		    FILE *logFile)
-+		    FILE *const logFile)
- 
- {
-     Boole B_outside = FALSE;
-Index: autodocksuite-4.2.5.1/autodock/pso.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/pso.cc
-+++ autodocksuite-4.2.5.1/autodock/pso.cc
-@@ -35,7 +35,7 @@
-  * Caution: do not reorder the Pop array outside of these functions. MP/RH
-  * Packaged algorithm options into a structure to simplify signatures.
-  ***********************************************************************/
--int ParticleSwarmGS::search(Population &Pop, int outlev, FILE * logFile)
-+int ParticleSwarmGS::search(Population &Pop, const int outlev, FILE *const logFile)
- {
- 	int j;
- 	double curVal;
-@@ -371,7 +371,7 @@
- 	return (0);
- }
- 
--int ParticleSwarmGS::localsearch(Population &Pop, Local_Search *local_method, int outlev, FILE * logFile)
-+int ParticleSwarmGS::localsearch(Population &Pop, Local_Search *const local_method, const int outlev, FILE *const logFile)
- {
- // does local search (unconditonally) on "best" (index) indiv, which may not be historic best
- 
-Index: autodocksuite-4.2.5.1/autodock/pso.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/pso.h
-+++ autodocksuite-4.2.5.1/autodock/pso.h
-@@ -92,8 +92,8 @@
- 		void reset(void);
-         void reset(const Output_pop_stats&);
-         int terminate(void);
--        int search(Population &, int outlev, FILE * logFile); 
--	int localsearch(Population &, Local_Search *, int outlev, FILE * logFile);
-+        int search(Population &, const int outlev, FILE *const logFile);
-+	int localsearch(Population &, Local_Search *const, const int outlev, FILE *const logFile);
- };
- 
- inline char * ParticleSwarmGS::shortname(void)
-Index: autodocksuite-4.2.5.1/autodock/read_parameter_library.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/read_parameter_library.cc
-+++ autodocksuite-4.2.5.1/autodock/read_parameter_library.cc
-@@ -48,7 +48,7 @@
- static char parameter_library[MAX_CHARS];
- 
- void read_parameter_library(
--	FILE *logFile,
-+	FILE *const logFile,
- 	const int outlev,
-         const char *const FN_parameter_library,
- 	Linear_FE_Model *AD4
-Index: autodocksuite-4.2.5.1/autodock/readfield.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/readfield.cc
-+++ autodocksuite-4.2.5.1/autodock/readfield.cc
-@@ -41,7 +41,7 @@
-                 const Clock& jobStart,
-                 const struct tms& tms_jobStart,
- 		const int outlev,
--		FILE *logFile)
-+		FILE *const logFile)
- {
-     FILE *fldFile;
-     char rec9[9], inputline[LINE_LEN];
-Index: autodocksuite-4.2.5.1/autodock/readfield.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/readfield.h
-+++ autodocksuite-4.2.5.1/autodock/readfield.h
-@@ -37,7 +37,7 @@
-                 const Clock& jobStart,
-                 const struct tms& tms_jobStart,
- 		const int outlev,
--		FILE *logFile);
-+		FILE *const logFile);
- 
- 
- #endif
-Index: autodocksuite-4.2.5.1/autodock/simanneal.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/simanneal.cc
-+++ autodocksuite-4.2.5.1/autodock/simanneal.cc
-@@ -145,7 +145,7 @@
-         const char PDBQT_record[MAX_RECORDS][LINE_LEN],
-         const Unbound_Model ad4_unbound_model,
- 	const int outlev,
--	FILE *logFile
-+	FILE *const logFile
-         )
- 
- {
-Index: autodocksuite-4.2.5.1/autodock/writePDBQT.cc
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/writePDBQT.cc
-+++ autodocksuite-4.2.5.1/autodock/writePDBQT.cc
-@@ -84,7 +84,7 @@
-          const Boole B_have_flexible_residues, 
-          const Unbound_Model ad4_unbound_model,
- 	 const int outlev, 
--	 FILE *logFile
-+	 FILE *const logFile
-          )
- 
- {
-Index: autodocksuite-4.2.5.1/autodock/writePDBQT.h
-===================================================================
---- autodocksuite-4.2.5.1.orig/autodock/writePDBQT.h
-+++ autodocksuite-4.2.5.1/autodock/writePDBQT.h
-@@ -75,7 +75,7 @@
-                     const Boole B_have_flexible_residues,
-                     const Unbound_Model ad4_unbound_model,
-                     const int outlev,
--		    FILE *logFile
-+		    FILE *const logFile
-                     );
- 
- void print_PDBQT( FILE *const logFile, 

Added: trunk/packages/autodocksuite/trunk/debian/patches/create_fake_autoreconf_files.patch
===================================================================
--- trunk/packages/autodocksuite/trunk/debian/patches/create_fake_autoreconf_files.patch	                        (rev 0)
+++ trunk/packages/autodocksuite/trunk/debian/patches/create_fake_autoreconf_files.patch	2014-08-13 06:14:56 UTC (rev 17714)
@@ -0,0 +1,25 @@
+Author: Andreas Tille <tille at debian.org>
+Last-Update: Wed, 13 Aug 2014 07:37:23 +0200
+Description: Since we are using autoreconf the files NEWS and ChangeLog
+ are required.  Just faking these with this simple patch
+
+--- /dev/null
++++ b/autodock/ChangeLog
+@@ -0,0 +1,2 @@
++
++
+--- /dev/null
++++ b/autodock/NEWS
+@@ -0,0 +1,2 @@
++
++
+--- /dev/null
++++ b/autogrid/ChangeLog
+@@ -0,0 +1,2 @@
++
++
+--- /dev/null
++++ b/autogrid/NEWS
+@@ -0,0 +1,2 @@
++
++

Deleted: trunk/packages/autodocksuite/trunk/debian/patches/fix_test_outputdir.patch
===================================================================
--- trunk/packages/autodocksuite/trunk/debian/patches/fix_test_outputdir.patch	2014-08-13 05:47:48 UTC (rev 17713)
+++ trunk/packages/autodocksuite/trunk/debian/patches/fix_test_outputdir.patch	2014-08-13 06:14:56 UTC (rev 17714)
@@ -1,46 +0,0 @@
-Author: Andreas Tille <tille at debian.org>
-Last-Update: Tue, 15 Apr 2014 18:01:38 +0200
-Description: Make sure the test suite deals properly with its used directories
-
---- a/autodock/Makefile.am
-+++ b/autodock/Makefile.am
-@@ -439,7 +439,8 @@ test : autodock4 $(srcdir)/Tests/test_au
- 	@echo " "
- 	@echo "Running the Python test_autodock4.py unit-tests on autodock4"
- 	@echo " "
--	outputdir=`pwd` ;\
-+	outputdir=$(srcdir)/../autodock_testresults ;\
-+	mkdir -p $$outputdir ;\
- 	umask 0 ;\
- 	test -d $$outputdir/Tests || mkdir $$outputdir/Tests ;\
-     rm -f $$outputdir/Tests/test_autodock4.py;\
-@@ -449,7 +450,7 @@ test : autodock4 $(srcdir)/Tests/test_au
-     cp $(srcdir)/Tests/*.dpf  $$outputdir/Tests;\
-     cp $(srcdir)/Tests/*.pdbqt  $$outputdir/Tests;\
-     cp $(srcdir)/Tests/*.map*  $$outputdir/Tests;\
--	cd Tests ;  python ./test_autodock4.py -d . -e ../autodock4$(EXEEXT) -o .
-+	cd $$outputdir/Tests ;  python ./test_autodock4.py -d . -e ../../autodock/autodock4$(EXEEXT) -o .
- #else
- #	@echo " "
- #	@echo "Python version 2.1 or higher needed for 'make check', but not found."
---- a/autogrid/Makefile.am
-+++ b/autogrid/Makefile.am
-@@ -130,7 +130,8 @@ test : autogrid4 $(srcdir)/Tests/test_au
- # for technical reasons, autogrid must be run in the Tests
- # directory because it writes its maps into its current directory
- # and expects to find AD4.1_bound.dat in that same directory.
--	outputdir=`pwd` ;\
-+	outputdir=$(srcdir)/../autogrid_testresults ;\
-+	mkdir -p $$outputdir ;\
- 	umask 0 ;\
- 	test -d $$outputdir/Tests || mkdir $$outputdir/Tests ;\
- 	chmod a+w $$outputdir/Tests/*;\
-@@ -141,7 +142,7 @@ test : autogrid4 $(srcdir)/Tests/test_au
- 	cp $(srcdir)/Tests/*.map*  $$outputdir/Tests;\
- 	chmod a+w $$outputdir/Tests/*;\
- 	cd $$outputdir/Tests;\
--	python ./test_autogrid4.py -d . -e ../autogrid4$(EXEEXT) -o .
-+	python ./test_autogrid4.py -d . -e ../../autogrid/autogrid4$(EXEEXT) -o .
- #else
- #	@echo " "
- #	@echo "Python version 2.1 or higher needed for 'make test', but not found."

Deleted: trunk/packages/autodocksuite/trunk/debian/patches/make.patch
===================================================================
--- trunk/packages/autodocksuite/trunk/debian/patches/make.patch	2014-08-13 05:47:48 UTC (rev 17713)
+++ trunk/packages/autodocksuite/trunk/debian/patches/make.patch	2014-08-13 06:14:56 UTC (rev 17714)
@@ -1,15 +0,0 @@
-Description: adapt make process to Debian build environment
-Author: Thorsten Alteholz <debian at alteholz.de>
-Last-Update: 2013-02-16
---- a/autogrid/Makefile.am
-+++ b/autogrid/Makefile.am
-@@ -155,7 +155,8 @@ main.o : $(srcdir)/../autodock/autocomm.
- default_parameters.h : $(srcdir)/../autodock/paramdat2h.csh  $(srcdir)/../autodock/AD4_parameters.dat $(srcdir)/../autodock/AD4.1_bound.dat
- 	rm -f $@
- 	csh $(srcdir)/../autodock/paramdat2h.csh $(srcdir)/../autodock/AD4_parameters.dat  $(srcdir)/../autodock/AD4.1_bound.dat > $@
--	sh ../copyfilesfromAD -b  # copying from build dir , not source dir
-+# sh ./copyfilesfromAD -b  # copying from build dir , not source dir
-+	sh ./copyfilesfromAD  # copying from src dir , not build dir
- 
- # 2007-04-30 MP & GMM: this line is necessary to be able to compile read_parameter_library.o
- read_parameter_library.o : default_parameters.h

Modified: trunk/packages/autodocksuite/trunk/debian/patches/series
===================================================================
--- trunk/packages/autodocksuite/trunk/debian/patches/series	2014-08-13 05:47:48 UTC (rev 17713)
+++ trunk/packages/autodocksuite/trunk/debian/patches/series	2014-08-13 06:14:56 UTC (rev 17714)
@@ -1,2 +1 @@
-make.patch
-fix_test_outputdir.patch
+create_fake_autoreconf_files.patch




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