xfitter: 2.0.1 -> 2.2.0

2 files changed, 34 insertions, 484 deletions

diff --git a/pkgs/applications/science/physics/xfitter/default.nix b/pkgs/applications/science/physics/xfitter/default.nix
index 51d6c9d68fe..2be61538788 100644
--- a/pkgs/applications/science/physics/xfitter/default.nix
+++ b/pkgs/applications/science/physics/xfitter/default.nix
@@ -1,53 +1,57 @@
-{ lib, stdenv, fetchurl, apfel, apfelgrid, applgrid, blas, gfortran, lhapdf, lapack, libyaml, lynx
-, mela, root5, qcdnum, which, libtirpc
+{ lib
+, stdenv
+, fetchurl
+, apfel
+, apfelgrid
+, applgrid
+, blas
+, ceres-solver
+, cmake
+, gfortran
+, gsl
+, lapack
+, lhapdf
+, libtirpc
+, libyaml
+, libyamlcpp
+, pkg-config
+, qcdnum
+, root
+, zlib
 , memorymappingHook, memstreamHook
 }:
 
 stdenv.mkDerivation rec {
   pname = "xfitter";
-  version = "2.0.1";
+  version = "2.2.0";
 
   src = fetchurl {
     name = "${pname}-${version}.tgz";
     url = "https://www.xfitter.org/xFitter/xFitter/DownloadPage?action=AttachFile&do=get&target=${pname}-${version}.tgz";
-    sha256 = "0kmgc67nw5flp92yw5x6l2vsnhwsfi5z2a20404anisdgdjs8zc6";
+    sha256 = "sha256-ZHIQ5hOY+k0/wmpE0o4Po+RZ4MkVMk+bK1Rc6eqwwH0=";
   };
 
-  patches = [
-    ./undefined_behavior.patch
-  ];
+  preConfigure = ''
+    substituteInPlace CMakeLists.txt \
+      --replace "-fallow-argument-mismatch" ""
+  '';
 
-  preConfigure =
-  # Fix F77LD to workaround for a following build error:
-  #
-  #   gfortran: error: unrecognized command line option '-stdlib=libc++'
-  #
-    lib.optionalString stdenv.isDarwin ''
-      substituteInPlace src/Makefile.in \
-        --replace "F77LD = \$(F77)" "F77LD = \$(CXXLD)" \
-    '';
-
-  configureFlags = [
-    "--enable-apfel"
-    "--enable-apfelgrid"
-    "--enable-applgrid"
-    "--enable-mela"
-    "--enable-lhapdf"
-  ];
-
-  nativeBuildInputs = [ gfortran which ];
+  nativeBuildInputs = [ cmake gfortran pkg-config ];
   buildInputs =
-    [ apfel apfelgrid applgrid blas lhapdf libyaml lapack mela root5 qcdnum ]
+    [ apfel blas ceres-solver lhapdf lapack libyaml root qcdnum gsl libyamlcpp zlib ]
+    ++ lib.optionals ("5" == lib.versions.major root.version) [ apfelgrid applgrid ]
     ++ lib.optionals (stdenv.system == "x86_64-darwin") [ memorymappingHook memstreamHook ]
     ++ lib.optional (stdenv.hostPlatform.libc == "glibc") libtirpc
     ;
-  propagatedBuildInputs = [ lynx ];
-
-  enableParallelBuilding = true;
 
   NIX_CFLAGS_COMPILE = lib.optional (stdenv.hostPlatform.libc == "glibc") "-I${libtirpc.dev}/include/tirpc";
   NIX_LDFLAGS = lib.optional (stdenv.hostPlatform.libc == "glibc") "-ltirpc";
 
+  # workaround wrong library IDs
+  postInstall = lib.optionalString stdenv.isDarwin ''
+    ln -sv "$out/lib/xfitter/"* "$out/lib/"
+  '';
+
   meta = with lib; {
     description = "The xFitter project is an open source QCD fit framework ready to extract PDFs and assess the impact of new data";
     license     = licenses.gpl3;
diff --git a/pkgs/applications/science/physics/xfitter/undefined_behavior.patch b/pkgs/applications/science/physics/xfitter/undefined_behavior.patch
deleted file mode 100644
index 53278527a80..00000000000
--- a/pkgs/applications/science/physics/xfitter/undefined_behavior.patch
+++ /dev/null
@@ -1,454 +0,0 @@
-diff --git a/DY/src/finterface.cc b/DY/src/finterface.cc
---- a/DY/src/finterface.cc
-+++ b/DY/src/finterface.cc
-@@ -14,17 +14,17 @@
- using namespace std;
- 
- extern "C" {
--  int dy_create_calc_(const int *ds_id, const int *chg_prod, 
-+  void dy_create_calc_(const int *ds_id, const int *chg_prod, 
-       const double *beam_en, const char *boz,
-       const double *ranges, const char *var_name, 
-       const int *n_bins, const double *bin_edges);
- 
--  int dy_do_calc_();
-+  void dy_do_calc_();
- 
--  int dy_get_res_(const int *ds_id, double *calc_res);
-+  void dy_get_res_(const int *ds_id, double *calc_res);
- 
--  int dy_release_();
--  int dy_set_ewpars_();
-+  void dy_release_();
-+  void dy_set_ewpars_();
- }
- 
- typedef map <int, DYcalc* > DCmap;
-@@ -34,7 +34,7 @@ vector<BinMatrix*> gBinMatrices;
- 
- // initializes Drell-Yan LO calculations with info on
- // beam, process, kinematic cuts, and bins.
--int dy_create_calc_(const int *ds_id, const int *chg_prod, 
-+void dy_create_calc_(const int *ds_id, const int *chg_prod, 
-     const double *beam_en, const char *boz,
-     const double *ranges, const char *var_name, 
-     const int *n_bins, const double *bin_edges)
-@@ -99,13 +99,11 @@ int dy_create_calc_(const int *ds_id, const int *chg_prod,
-   // create calculator and put to map
-   DYcalc * dc = new DYcalc(bm, pc, int_steps);
-   gCalcs.insert( pair<int,DYcalc*>( *ds_id,dc ) );
--
--  return 1;
- }
- 
- 
- // calculate Drell-Yan LO cross sections for all data sets
--int dy_do_calc_()
-+void dy_do_calc_()
- {
-   // evolve convolutions
-   vector<PDFconv*>::iterator ipc = gPDFconvs.begin();
-@@ -118,28 +116,24 @@ int dy_do_calc_()
-     if ( true != idc->second->Integrate() ) {
-       cout << "Something is wrong with DY integration for " 
-            << idc->first << " data set." << endl;
--      return 0;
-+      return;
-     }
-   }
--
--  return 1;
- }
- 
- 
- // return DY calculations for data set ds_name
--int dy_get_res_(const int *ds_id, double *calc_res)
-+void dy_get_res_(const int *ds_id, double *calc_res)
- {
-   DYcalc * dc = gCalcs.find(*ds_id)->second;
-   dc->getCalcRes(calc_res);
--
--  return 1;
- }
- 
--int dy_set_ewpars_(){
-+void dy_set_ewpars_(){
-   PhysPar::setPhysPar();
- }
- 
--int dy_release_()
-+void dy_release_()
- {
-   vector<PDFconv*>::iterator ipc = gPDFconvs.begin();
-   for (; ipc!=gPDFconvs.end(); ipc++){
-@@ -155,6 +149,4 @@ int dy_release_()
-   for (; idc != gCalcs.end() ; idc++){
-     delete (idc->second);
-   }
--
--  return 1;
- }
-diff --git a/DiffDIS/include/DataTable.h b/DiffDIS/include/DataTable.h
---- a/DiffDIS/include/DataTable.h
-+++ b/DiffDIS/include/DataTable.h
-@@ -307,6 +307,7 @@ class DataTable_t {
-       for(ic=0; ic < GetNcols(); ic++) {
-         for(ir=0; ir < npt; ir++) Data[ic][ir] = A.Data[ic][ir];
-       }
-+      return *this;
-     }
-     
-     //@}
-diff --git a/FastNLO/src/FastNLOInterface.cc b/FastNLO/src/FastNLOInterface.cc
---- a/FastNLO/src/FastNLOInterface.cc
-+++ b/FastNLO/src/FastNLOInterface.cc
-@@ -39,14 +39,14 @@ void gauleg(double x1,double x2,double *x,double *w, int n);
- 
- 
- extern "C" {
--  int fastnloinit_(const char *s, const int *idataset, const char *thfile, int *I_FIT_ORDER, bool *PublicationUnits , double* murdef, double* murscale, double *mufdef, double* mufscale);
--  int fastnlocalc_(const int *idataset, double *xsec);
--  int fastnlocalctop_(const int *idataset, double *xsec, double *thbin, double *tot, int *Npt);
--  int fastnlopointskip_(const int *idataset, int *point, int *npoints);
--  int hf_errlog_(const int* ID, const char* TEXT, long length);
--  int hf_stop_();
-+  void fastnloinit_(const char *s, const int *idataset, const char *thfile, int *I_FIT_ORDER, bool *PublicationUnits , double* murdef, double* murscale, double *mufdef, double* mufscale);
-+  void fastnlocalc_(const int *idataset, double *xsec);
-+  void fastnlocalctop_(const int *idataset, double *xsec, double *thbin, double *tot, int *Npt);
-+  void fastnlopointskip_(const int *idataset, int *point, int *npoints);
-+  void hf_errlog_(const int* ID, const char* TEXT, long length);
-+  void hf_stop_();
-   double interp_(double *A, double *xx1, double *x, int *NGrid1, double *res);
--  int setfastnlotoppar_(const int *idataset);
-+  void setfastnlotoppar_(const int *idataset);
- }
- 
- 
-@@ -58,7 +58,7 @@ map<int, FastNLOxFitter*> gFastNLO_array;
- map<int, BoolArray*>     gUsedPoints_array;
- int CreateUsedPointsArray(int idataset, int npoints);
- 
--int fastnloinit_(const char *s, const int *idataset, const char *thfile, int *I_FIT_ORDER, bool *PublicationUnits , double* murdef, double* murscale, double *mufdef, double* mufscale) {
-+void fastnloinit_(const char *s, const int *idataset, const char *thfile, int *I_FIT_ORDER, bool *PublicationUnits , double* murdef, double* murscale, double *mufdef, double* mufscale) {
- 
-   
-    map<int, FastNLOxFitter*>::const_iterator FastNLOIterator = gFastNLO_array.find(*idataset);
-@@ -67,7 +67,7 @@ int fastnloinit_(const char *s, const int *idataset, const char *thfile, int *I_
-      const char* text = "I: Double initialization of the same fastnlo data set!";
-      hf_errlog_(&id, text, (long)strlen(text));
-      //hf_stop_();
--     return 1;
-+     return;
-    }
-    
-    FastNLOxFitter* fnloreader = new FastNLOxFitter( thfile );  
-@@ -112,10 +112,9 @@ int fastnloinit_(const char *s, const int *idataset, const char *thfile, int *I_
-    }
-    
-    gFastNLO_array.insert(pair<int, FastNLOxFitter*>(*idataset, fnloreader) );
--   return 0;
- }
- 
--int setfastnlotoppar_(const int *idataset) {
-+void setfastnlotoppar_(const int *idataset) {
-    //!< Dedicated settings for difftop
-    map<int, FastNLOxFitter*>::const_iterator FastNLOIterator = gFastNLO_array.find(*idataset);
-    map<int, BoolArray*>::const_iterator UsedPointsIterator = gUsedPoints_array.find(*idataset);
-@@ -130,11 +129,9 @@ int setfastnlotoppar_(const int *idataset) {
-    fnloreader->SetExternalFuncForMuF( &Function_Mu );
-    fnloreader->SetExternalFuncForMuR( &Function_Mu);
-    //fnloreader->SetScaleFactorsMuRMuF(1.0,1.0); //Be reminded that muR and muF scales are hard coded (that's not true!)
--
--   return 0;
- }
- 
--int fastnlocalc_(const int *idataset, double *xsec) {
-+void fastnlocalc_(const int *idataset, double *xsec) {
-   
-    map<int, FastNLOxFitter*>::const_iterator FastNLOIterator = gFastNLO_array.find(*idataset);
-    map<int, BoolArray*>::const_iterator UsedPointsIterator = gUsedPoints_array.find(*idataset);
-@@ -176,13 +173,10 @@ int fastnlocalc_(const int *idataset, double *xsec) {
-        outputidx++;
-      }
-    }
-- 
--
--   return 0;
- }
- 
- //MK14 New function for Difftop calculation: it is called in trunk/src/difftop_fastnlo.f
--int fastnlocalctop_(const int *idataset, double *xsec, double *thbin, double *tot, int *Npt){
-+void fastnlocalctop_(const int *idataset, double *xsec, double *thbin, double *tot, int *Npt){
-   
-    map<int, FastNLOxFitter*>::const_iterator FastNLOIterator = gFastNLO_array.find(*idataset);
-    map<int, BoolArray*>::const_iterator UsedPointsIterator = gUsedPoints_array.find(*idataset);
-@@ -262,10 +256,6 @@ int fastnlocalctop_(const int *idataset, double *xsec, double *thbin, double *to
-      Total += interpC(xsec,xg[k],thbin,Nthpoints)*wg[k];
- 
-    *tot = Total;
--
--
--
--   return 0;
- }
- 
- 
-@@ -277,7 +267,7 @@ int fastnlocalctop_(const int *idataset, double *xsec, double *thbin, double *to
- 
- 
- 
--int fastnlopointskip_(const int *idataset, int *point, int *npoints) {
-+void fastnlopointskip_(const int *idataset, int *point, int *npoints) {
-   map<int, BoolArray*>::const_iterator UsedPointsIterator = gUsedPoints_array.find(*idataset);
-   if(UsedPointsIterator == gUsedPoints_array.end( )) 
-     CreateUsedPointsArray(*idataset, *npoints);
-@@ -292,8 +282,6 @@ int fastnlopointskip_(const int *idataset, int *point, int *npoints) {
-   
-   BoolArray*     usedpoints = UsedPointsIterator->second;
-   usedpoints->at(*point-1) = false;
--
--  return 0;
- }
- 
- int CreateUsedPointsArray(int idataset, int npoints) {
-diff --git a/Hathor/src/HathorInterface.cc b/Hathor/src/HathorInterface.cc
---- a/Hathor/src/HathorInterface.cc
-+++ b/Hathor/src/HathorInterface.cc
-@@ -6,9 +6,9 @@
- #include "../interface/xFitterPdf.h"
- 
- extern "C" {
--  int hathorinit_(const int* idataset, const double& sqrtS, const bool& ppbar, const double& mt,
-+  void hathorinit_(const int* idataset, const double& sqrtS, const bool& ppbar, const double& mt,
- 		  const unsigned int& pertubOrder, const unsigned int& precisionLevel);
--  int hathorcalc_(const int *idataset, double *xsec);
-+  void hathorcalc_(const int *idataset, double *xsec);
- }
- 
- extern "C" {
-@@ -19,7 +19,7 @@ extern "C" {
- }
- 
- extern "C" {
--  int hf_errlog_(const int* ID, const char* TEXT, long length);
-+  void hf_errlog_(const int* ID, const char* TEXT, long length);
- }
- 
- // FIXME: delete pointers at the end! (in some hathordestroy_ or so)
-@@ -28,7 +28,7 @@ xFitterPdf* pdf;
- int* rndStore;
- double mtop;
- 
--int hathorinit_(const int* idataset, const double& sqrtS, const bool& ppbar, const double& mt,
-+void hathorinit_(const int* idataset, const double& sqrtS, const bool& ppbar, const double& mt,
- 		const unsigned int& pertubOrder, const unsigned int& precisionLevel) {
- 
-   if(hathor_array.size()==0) {
-@@ -69,7 +69,7 @@ int hathorinit_(const int* idataset, const double& sqrtS, const bool& ppbar, con
-   return 0;
- }
- 
--int hathorcalc_(const int *idataset, double *xsec) {
-+void hathorcalc_(const int *idataset, double *xsec) {
-   rlxd_reset(rndStore);
- 
-   std::map<int, Hathor*>::const_iterator hathorIter = hathor_array.find(*idataset);
-diff --git a/src/TheorEval.cc b/src/TheorEval.cc
---- a/src/TheorEval.cc
-+++ b/src/TheorEval.cc
-@@ -62,6 +62,7 @@ TheorEval::initTheory()
-   list<tToken> sl;
-   this->assignTokens(sl);
-   this->convertToRPN(sl);
-+  return 0;
- }
- 
- int 
-@@ -167,6 +168,7 @@ TheorEval::assignTokens(list<tToken> &sl)
-       sl.push_back(t);
-     }
-   }
-+  return 0;
- }
- 
- int
-@@ -217,6 +219,7 @@ TheorEval::convertToRPN(list<tToken> &sl)
-   cout << endl;
-   */
-   
-+  return 0;
- }
- 
- int
-@@ -236,6 +239,7 @@ TheorEval::initTerm(int iterm, valarray<double> *val)
-     hf_errlog_(id, text, textlen);
-     return -1;
-   }
-+  return 0;
- }
- 
- int
-@@ -348,6 +352,7 @@ TheorEval::initGridTerm(int iterm, valarray<double> *val)
- 
-   // associate grid and valarray pointers in token
-   _mapGridToken[g] = val;
-+  return 0;
- }
- 
- int
-@@ -430,6 +435,7 @@ TheorEval::initKfTerm(int iterm, valarray<double> *val)
- 
-   // write k-factor array to the token valarray
-   *val = valarray<double>(vkf.data(), vkf.size());
-+  return 0;
- }  
- 
- int
-@@ -465,6 +471,7 @@ TheorEval::setCKM(const vector<double> &v_ckm)
-    int textlen = strlen(text);
-    hf_errlog_(id, text, textlen);
- #endif
-+   return 0;
- }
- 
- int
-@@ -531,6 +538,7 @@ TheorEval::Evaluate(valarray<double> &vte )
-       }
-     //vte /= _units;
-   }
-+  return 0;
- }
- 
- int
-@@ -555,6 +563,7 @@ TheorEval::getGridValues()
-     
-     
-   }
-+  return 0;
- }
- 
- int
-diff --git a/src/ftheor_eval.cc b/src/ftheor_eval.cc
---- a/src/ftheor_eval.cc
-+++ b/src/ftheor_eval.cc
-@@ -19,15 +19,15 @@
- using namespace std;
- 
- extern "C" {
--  int set_theor_eval_(int *dsId);//, int *nTerms, char **TermName, char **TermType, 
-+  void set_theor_eval_(int *dsId);//, int *nTerms, char **TermName, char **TermType, 
- //    char **TermSource, char *TermExpr);
--  int set_theor_bins_(int *dsId, int *nBinDimension, int *nPoints, int *binFlags, 
-+  void set_theor_bins_(int *dsId, int *nBinDimension, int *nPoints, int *binFlags, 
-     double *allBins);
- //  int set_theor_units_(int *dsId, double *units);
--  int init_theor_eval_(int *dsId);
--  int update_theor_ckm_();
--  int get_theor_eval_(int *dsId, int* np, int* idx);
--  int close_theor_eval_();
-+  void init_theor_eval_(int *dsId);
-+  void update_theor_ckm_();
-+  void get_theor_eval_(int *dsId, int* np, int* idx);
-+  void close_theor_eval_();
- }
- 
- /// global dataset to theory evaluation pointer map
-@@ -59,7 +59,7 @@ extern struct ord_scales {
-  dataset ID.
-  write details on argumets
-  */
--int set_theor_eval_(int *dsId)//, int *nTerms, char **TermName, char **TermType, 
-+void set_theor_eval_(int *dsId)//, int *nTerms, char **TermName, char **TermType, 
- //  char **TermSource, char *TermExpr)
- {
-   // convert fortran strings to c++
-@@ -90,15 +90,13 @@ int set_theor_eval_(int *dsId)//, int *nTerms, char **TermName, char **TermType,
-     << " already exists." << endl;
-     exit(1); // make proper exit later
-   }
--
--  return 1;
- }
- 
- /*!
-  Sets datasets bins in theory evaluations.
-  write details on argumets
-  */
--int set_theor_bins_(int *dsId, int *nBinDimension, int *nPoints, int *binFlags, 
-+void set_theor_bins_(int *dsId, int *nBinDimension, int *nPoints, int *binFlags, 
-   double *allBins)
- {
-   tTEmap::iterator it = gTEmap.find(*dsId);
-@@ -110,7 +108,6 @@ int set_theor_bins_(int *dsId, int *nBinDimension, int *nPoints, int *binFlags,
-   
-   TheorEval *te = gTEmap.at(*dsId);
-   te->setBins(*nBinDimension, *nPoints, binFlags, allBins);
--  return 1;
- }
- 
- /*
-@@ -132,7 +129,7 @@ int set_theor_units_(int *dsId, double *units)
- /*!
-  Initializes theory for requested dataset.
-  */
--int init_theor_eval_(int *dsId)
-+void init_theor_eval_(int *dsId)
- {
-   tTEmap::iterator it = gTEmap.find(*dsId);
-   if (it == gTEmap.end() ) { 
-@@ -148,7 +145,7 @@ int init_theor_eval_(int *dsId)
- /*!
-  Updates the CKM matrix to all the initialized appl grids
-  */
--int update_theor_ckm_()
-+void update_theor_ckm_()
- {
-   double a_ckm[] = { ckm_matrix_.Vud, ckm_matrix_.Vus, ckm_matrix_.Vub,
-                                   ckm_matrix_.Vcd, ckm_matrix_.Vcs, ckm_matrix_.Vcb,
-@@ -164,7 +161,7 @@ int update_theor_ckm_()
- /*!
-  Evaluates theory for requested dataset and writes it to the global THEO array.
-  */
--int get_theor_eval_(int *dsId, int *np, int*idx)
-+void get_theor_eval_(int *dsId, int *np, int*idx)
- {
- 
-   tTEmap::iterator it = gTEmap.find(*dsId);
-@@ -194,11 +191,11 @@ int get_theor_eval_(int *dsId, int *np, int*idx)
-   // write the predictions to THEO array
-   if( ip != *np ){
-     cout << "ERROR in get_theor_eval_: number of points mismatch" << endl;
--    return -1;
-+    return;
-   }
- }
- 
--int close_theor_eval_()
-+void close_theor_eval_()
- {
-   tTEmap::iterator it = gTEmap.begin();
-   for (; it!= gTEmap.end(); it++){
-diff --git a/src/lhapdf6_output.c b/src/lhapdf6_output.c
---- a/src/lhapdf6_output.c
-+++ b/src/lhapdf6_output.c
-@@ -64,7 +64,7 @@ extern double bvalij_(int *,int *,int *,int *,int *);
- extern double bvalxq_(int *,int *,double *,double *,int *);

- extern double hf_get_alphas_(double *);

- extern int getord_(int *);

--extern int grpars_(int *, double *, double *, int *, double *, double *, int *);

-+extern void grpars_(int *, double *, double *, int *, double *, double *, int *);

- extern int getcbt_(int *, double *, double *, double *);

- extern void getpdfunctype_heraf_(int *mc, int *asymh, int *symh, char *name, size_t size);

- extern void hf_errlog_(int *, char *, size_t);

-diff --git a/tools/draw/include/FileOpener.h b/tools/draw/include/FileOpener.h
---- a/tools/draw/include/FileOpener.h
-+++ b/tools/draw/include/FileOpener.h
-@@ -61,7 +61,7 @@ class InFileOpener_t {
-   string GetPath() const {return ind < 0 ? "" : Flist[ind];}
-   
-   // ==================================
--  int Add(const string& fname) {
-+  void Add(const string& fname) {
-     Flist.push_back(fname);
-   }
-