Dear Georges, I have uploaded openbabel3 to unstable yesterday. You were right about the patch, it did not include the correct build dependency on openbabel3. I have fixed it, please find attached the updated patch.
Best wishes, Andrius On Thu, 16 Jan 2020 15:30:55 +0100 Georges Khaznadar <[email protected]> wrote: > 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?
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/control xdrawchem-1.10.2.1/debian/control --- xdrawchem-1.10.2.1/debian/control 2019-01-01 10:30:37.000000000 -0500 +++ xdrawchem-1.10.2.1/debian/control 2020-01-13 02:05:28.000000000 -0500 @@ -5,7 +5,7 @@ Uploaders: Michael Banck <[email protected]> Build-Depends: debhelper (>= 11), qt5-qmake, qtbase5-dev, qtbase5-dev-tools, - libopenbabel-dev (>= 2.0.0) + libopenbabel-dev (>= 3.0.0) Standards-Version: 4.3.0 Vcs-Browser: https://salsa.debian.org/georgesk/xdrawchem Vcs-Git: https://salsa.debian.org/georgesk/xdrawchem.git 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 2020-01-13 02:05:28.000000000 -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 2020-01-13 02:05:28.000000000 -0500 @@ -0,0 +1 @@ +openbabel3.patch
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