Dear Andrius, it is still too early to raise the severity of bug #948774: so far, the patched source cannot be built successfully: I tried it, but the package depends on openbabel3, which is not yet in Sid. Openbabel3 does exist in experimental, but I see no upload to make it part of debian/unstable.
By the way: the patch you authored is not sufficient, the build-dependency in debian/control still tells: libopenbabel-dev (>= 2.0.0), where it should be libopenbabel-dev (>= 3.0.0) or something like that. Please can you upload openbabel3 to unstable? Best regards, Georges. > Source: xdrawchem > Tags: patch > Control: block 948477 by -1 > > Hello, > > I have prepared an NMU containing a patch to make xdrawchem build with > Open Babel 3. > > Best, > Andrius > > diff -Nru xdrawchem-1.10.2.1/debian/changelog > xdrawchem-1.10.2.1/debian/changelog > --- xdrawchem-1.10.2.1/debian/changelog 2019-01-01 10:30:37.000000000 > -0500 > +++ xdrawchem-1.10.2.1/debian/changelog 2020-01-13 02:05:28.000000000 > -0500 > @@ -1,3 +1,10 @@ > +xdrawchem (1:1.10.2.1-2.1) unstable; urgency=medium > + > + * Non-maintainer upload. > + * Porting to Open Babel 3. > + > + -- Andrius Merkys <[email protected]> Mon, 13 Jan 2020 02:05:28 -0500 > + > xdrawchem (1:1.10.2.1-2) unstable; urgency=medium > > * updated Standards-Version and dh level > diff -Nru xdrawchem-1.10.2.1/debian/patches/openbabel3.patch > xdrawchem-1.10.2.1/debian/patches/openbabel3.patch > --- xdrawchem-1.10.2.1/debian/patches/openbabel3.patch 1969-12-31 > 19:00:00.000000000 -0500 > +++ xdrawchem-1.10.2.1/debian/patches/openbabel3.patch 2020-01-08 > 04:38:17.000000000 -0500 > @@ -0,0 +1,155 @@ > +--- a/xdrawchem.pro > ++++ b/xdrawchem.pro > +@@ -2,8 +2,8 @@ > + TARGET = xdrawchem > + > + # edit to match your OB install > +-exists(/usr/include/openbabel-2.0/openbabel/mol.h) { > +-INCLUDEPATH += /usr/include/openbabel-2.0 > ++exists(/usr/include/openbabel3/openbabel/mol.h) { > ++INCLUDEPATH += /usr/include/openbabel3 > + LIBS += -lopenbabel > + } > + exists(/usr/local/include/openbabel-2.0/openbabel/mol.h) { > +--- a/xdrawchem/ioiface.h > ++++ b/xdrawchem/ioiface.h > +@@ -20,6 +20,9 @@ > + > + #include "chemdata.h" > + > ++#include <openbabel/atom.h> > ++#include <openbabel/bond.h> > ++#include <openbabel/math/vector3.h> > + #include <openbabel/mol.h> > + > + using namespace OpenBabel; > +--- a/xdrawchem/ioiface.cpp > ++++ b/xdrawchem/ioiface.cpp > +@@ -193,7 +193,7 @@ > + int bondorder = bond->GetBondOrder(); > + > + //set elements > +- if ( !atom1->IsCarbon() ) { > ++ if ( atom1->GetAtomicNum() != 6 ) { > + QString str( "<element>" ); > + str += IOIface::symbol[atom1->GetAtomicNum() - 1]; > + str += "</element>"; > +@@ -201,7 +201,7 @@ > + > + } > + > +- if ( !atom2->IsCarbon() ) { > ++ if ( atom2->GetAtomicNum() != 6 ) { > + QString str( "<element>" ); > + > + str += IOIface::symbol[atom2->GetAtomicNum() - 1]; > +@@ -216,7 +216,7 @@ > + > + //label atoms if not Carbon > + > +- if ( !atom1->IsCarbon() ) { > ++ if ( atom1->GetAtomicNum() != 6 ) { > + > + text = new Text( chemdata->getRender2D() ); > + QString str = IOIface::symbol[atom1->GetAtomicNum() - 1]; > +@@ -229,7 +229,7 @@ > + //qDebug() << "ioiface(1) text:" << str; > + } > + > +- if ( !atom2->IsCarbon() ) { > ++ if ( atom2->GetAtomicNum() != 6 ) { > + > + text = new Text( chemdata->getRender2D() ); > + QString str = IOIface::symbol[atom2->GetAtomicNum() - 1]; > +--- a/xdrawchem/molecule.h > ++++ b/xdrawchem/molecule.h > +@@ -3,6 +3,10 @@ > + #ifndef MOLECULE_H > + #define MOLECULE_H > + > ++#include <openbabel/atom.h> > ++#include <openbabel/bond.h> > ++#include <openbabel/elements.h> > ++#include <openbabel/math/vector3.h> > + #include <openbabel/mol.h> > + #include <openbabel/obconversion.h> > + > +--- a/xdrawchem/molecule_obmol.cpp > ++++ b/xdrawchem/molecule_obmol.cpp > +@@ -58,7 +58,7 @@ > + Point point; > + Text *text; > + > +- std::vector < OBEdgeBase * >::iterator bonditr; > ++ std::vector < OBBond * >::iterator bonditr; > + std::map < Point, DPoint *, pt_cmp > points; > + std::map < Point, DPoint *, pt_cmp >::iterator itr; > + > +@@ -133,7 +133,7 @@ > + int bondorder = bond->GetBondOrder(); > + > + //set elements > +- if ( !atom1->IsCarbon() ) { > ++ if ( atom1->GetAtomicNum() != 6 ) { > + QString str( "<element>" ); > + > + str += symbol[atom1->GetAtomicNum() - 1]; > +@@ -142,7 +142,7 @@ > + > + } > + > +- if ( !atom2->IsCarbon() ) { > ++ if ( atom2->GetAtomicNum() != 6 ) { > + QString str( "<element>" ); > + > + str += symbol[atom2->GetAtomicNum() - 1]; > +@@ -155,7 +155,7 @@ > + > + //label atoms if not Carbon > + > +- if ( !atom1->IsCarbon() ) { > ++ if ( atom1->GetAtomicNum() != 6 ) { > + > + text = new Text( r ); > + QString str = symbol[atom1->GetAtomicNum() - 1]; > +@@ -167,7 +167,7 @@ > + addText( text ); > + } > + > +- if ( !atom2->IsCarbon() ) { > ++ if ( atom2->GetAtomicNum() != 6 ) { > + > + text = new Text( r ); > + QString str = symbol[atom2->GetAtomicNum() - 1]; > +--- a/xdrawchem/molecule_smiles.cpp > ++++ b/xdrawchem/molecule_smiles.cpp > +@@ -254,8 +254,6 @@ > + > + DPoint *thisDPoint; > + > +- OpenBabel::OBElementTable etable; > +- > + std::vector < OpenBabel::OBNodeBase * >::iterator ait; > + > + std::map < OpenBabel::OBAtom *, DPoint * >hashit; > +@@ -265,9 +263,9 @@ > + > + qInfo() << "Adding OBAtom: " << i++ << " of element#: " << > + thisAtom->GetAtomicNum() << " type: " << > +- etable.GetSymbol(thisAtom->GetAtomicNum()) ; > ++ OBElements::GetSymbol(thisAtom->GetAtomicNum()) ; > + thisDPoint = new DPoint; > +- tmp_element = etable.GetSymbol( thisAtom->GetAtomicNum() ); > ++ tmp_element = OBElements::GetSymbol( thisAtom->GetAtomicNum() ); > + > + tmp_element_mask = tmp_element; > + tmp_element_mask.fill( ' ' ); // fix the mask characters > +@@ -292,7 +290,7 @@ > + > + OpenBabel::OBBond * thisBond; > + > +- std::vector < OpenBabel::OBEdgeBase * >::iterator bit; > ++ std::vector < OpenBabel::OBBond * >::iterator bit; > + for ( thisBond = myMol.BeginBond( bit ); thisBond; thisBond = > myMol.NextBond( bit ) ) { > + addBond( hashit[thisBond->GetBeginAtom()], > hashit[thisBond->GetEndAtom()], 1, thisBond->GetBondOrder(), QColor( 0, 0, 0 > ), true ); > + } > diff -Nru xdrawchem-1.10.2.1/debian/patches/series > xdrawchem-1.10.2.1/debian/patches/series > --- xdrawchem-1.10.2.1/debian/patches/series 1969-12-31 19:00:00.000000000 > -0500 > +++ xdrawchem-1.10.2.1/debian/patches/series 2020-01-08 01:26:58.000000000 > -0500 > @@ -0,0 +1 @@ > +openbabel3.patch -- Georges KHAZNADAR et Jocelyne FOURNIER 22 rue des mouettes, 59240 Dunkerque France. Téléphone +33 (0)3 28 29 17 70
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