rpms/openbabel
2
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

update to 2.3.2.20160804git [release 2.3.2.20160804git-1mamba;Thu Aug 04 2016]

Browse Source
This commit is contained in:
Silvan Calarco 2024-01-06 08:09:28 +01:00
parent edc326bce6
commit 76c461dafd
2 changed files with 62 additions and 21 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

36
openbabel-2.3.2-gcc-6.1.0.patch Normal file
View File

@ -0,0 +1,36 @@
diff -ru openbabel-2.3.2.patched/include/openbabel/alias.h openbabel-2.3.2/include/openbabel/alias.h
--- openbabel-2.3.2.patched/include/openbabel/alias.h 2016-08-04 12:35:49.111515096 +0200
+++ openbabel-2.3.2/include/openbabel/alias.h 2010-09-07 19:07:53.000000000 +0200
@@ -115,7 +115,7 @@
}
bool FromNameLookup(OBMol& mol, const unsigned int atomindex);
#ifdef HAVE_SHARED_POINTER
- typedef std::vector< std::pair<std::string, shared_ptr<OBSmartsPattern> > > SmartsTable;
+ typedef std::vector< std::pair<std::string, std::tr1::shared_ptr<OBSmartsPattern> > > SmartsTable;
static bool LoadFile(SmartsTable& smtable);
#endif
};
diff -ru openbabel-2.3.2.patched/include/openbabel/shared_ptr.h openbabel-2.3.2/include/openbabel/shared_ptr.h
--- openbabel-2.3.2.patched/include/openbabel/shared_ptr.h 2016-08-04 12:34:32.386554217 +0200
+++ openbabel-2.3.2/include/openbabel/shared_ptr.h 2011-10-12 22:24:02.000000000 +0200
@@ -21,7 +21,7 @@
#define shared_ptr boost::shared_ptr
#else
#include <memory>
- #if __GNUC__ == 4 //&& __GNUC_MINOR__ < 3 removed at the suggestion of Konstantin Tokarev
+ #if __GNUC__ >= 4 //&& __GNUC_MINOR__ < 3 removed at the suggestion of Konstantin Tokarev
#include <tr1/memory>
#endif
using std::tr1::shared_ptr;
diff -ru openbabel-2.3.2.patched/src/alias.cpp openbabel-2.3.2/src/alias.cpp
--- openbabel-2.3.2.patched/src/alias.cpp 2016-08-04 12:36:42.821486062 +0200
+++ openbabel-2.3.2/src/alias.cpp 2012-10-05 22:17:36.000000000 +0200
@@ -270,7 +270,7 @@
//OBSmartsPattern objects are not copyable without complications,
//so reference semantics used.
- shared_ptr<OBSmartsPattern> psp(new OBSmartsPattern);
+ std::tr1::shared_ptr<OBSmartsPattern> psp(new OBSmartsPattern);
psp->Init(ssmarts.str());
smtable.push_back(make_pair(vec[0], psp));
}

47
openbabel.spec
View File

@ -1,7 +1,7 @@
%define apiver 2.0
%define minver %(echo %version | cut -d. -f 2-)
Name: openbabel
Version: 2.3.2
Version: 2.3.2.20160804git
Release: 1mamba
Summary: Chemistry file translation program
Group: Applications/Educational
@ -9,12 +9,18 @@ Vendor: openmamba
Distribution: openmamba
Packager: Silvan Calarco <silvan.calarco@mambasoft.it>
URL: http://downloads.sourceforge.net/sourceforge/openbabel/
Source: http://downloads.sourceforge.net/openbabel/openbabel-%{version}.tar.gz
Source: https://github.com/openbabel/openbabel.git/master/openbabel-%{version}.tar.bz2
#http://downloads.sourceforge.net/openbabel/openbabel-%{version}.tar.gz
Patch0: openbabel-2.3.2-gcc-6.1.0.patch
License: GPL
## AUTOBUILDREQ-BEGIN
BuildRequires: glibc-devel
BuildRequires: libcairo-devel
BuildRequires: libgcc
BuildRequires: libstdc++6-devel
BuildRequires: libtirpc-devel
BuildRequires: libwxBase-unicode-devel
BuildRequires: libwxGTK-unicode-devel
BuildRequires: libxml2-devel
BuildRequires: libz-devel
## AUTOBUILDREQ-END
@ -35,10 +41,13 @@ This package contains static libraries and header files need for development.
%prep
%setup -q
#-D -T
#%patch0 -p1
%build
%cmake \
-DCMAKE_SHARED_LINKER_FLAGS="-ltirpc"
-DCMAKE_SHARED_LINKER_FLAGS="-ltirpc" \
-DwxWidgets_CONFIG_EXECUTABLE=%{_bindir}/wx-config-unicode
%make
@ -56,24 +65,14 @@ This package contains static libraries and header files need for development.
%defattr(-,root,root)
#%{_bindir}/OBGUI
%{_bindir}/babel
%{_bindir}/obabel
%{_bindir}/obfit
%{_bindir}/obgrep
%{_bindir}/obrotate
%{_bindir}/obchiral
%{_bindir}/obconformer
%{_bindir}/obenergy
%{_bindir}/obgen
%{_bindir}/obgui
%{_bindir}/obminimize
%{_bindir}/obprobe
%{_bindir}/obprop
%{_bindir}/obrms
%{_bindir}/obrotamer
%{_bindir}/obspectrophore
%{_bindir}/ob*
%{_bindir}/roundtrip
%{_libdir}/libinchi.so.*
%{_libdir}/libopenbabel.so.*
%dir %{_libdir}/openbabel
%{_libdir}/openbabel/*/*.so
%{_libdir}/libinchi.so
%{_libdir}/libopenbabel.so
%{_datadir}/openbabel/*
%{_mandir}/man1/babel.1.gz
%{_mandir}/man1/ob*.1.gz
@ -86,19 +85,25 @@ This package contains static libraries and header files need for development.
%{_includedir}/inchi/inchi_api.h
%dir %{_includedir}/openbabel-%{apiver}
%dir %{_includedir}/openbabel-%{apiver}/openbabel
%{_includedir}/openbabel-%{apiver}/openbabel/*.h
%dir %{_includedir}/openbabel-%{apiver}/openbabel/json
%{_includedir}/openbabel-%{apiver}/openbabel/json/*.h
%dir %{_includedir}/openbabel-%{apiver}/openbabel/math
%{_includedir}/openbabel-%{apiver}/openbabel/math/*.h
%dir %{_includedir}/openbabel-%{apiver}/openbabel/stereo
%{_includedir}/openbabel-%{apiver}/openbabel/stereo/*.h
%{_includedir}/openbabel-%{apiver}/openbabel/*.h
%{_libdir}/openbabel/%{version}/*.so
%{_libdir}/libinchi.so
%{_libdir}/libopenbabel.so
%dir %{_libdir}/cmake/openbabel2
%{_libdir}/cmake/openbabel2/OpenBabel2*.cmake
%{_libdir}/pkgconfig/*.pc
%changelog
* Thu Aug 04 2016 Silvan Calarco <silvan.calarco@mambasoft.it> 2.3.2.20160804git-1mamba
- update to 2.3.2.20160804git
* Thu Aug 04 2016 Silvan Calarco <silvan.calarco@mambasoft.it> 2.3.2-2mamba
- rebuilt with gcc 6.1.0
* Fri Dec 28 2012 Automatic Build System <autodist@mambasoft.it> 2.3.2-1mamba
- automatic version update by autodist