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4afabe56 1# TODO:
affae55c 2# - install+package csharp bindings
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3#
4# Conditional build:
5%bcond_without java # Java/JNI bindings
affae55c 6%bcond_with mono # .NET/C# bindings
bb45edba 7#
b6a15389 8%define snap 2d45874
a5af8661 9Summary: A cross-platform chemistry program and library designed to convert file formats
1d4e449f 10Summary(pl.UTF-8): Międzyplatformowy program chemiczny i biblioteka do konwersji formatów plików
a5af8661 11Name: openbabel
b6a15389 12Version: 2.3.90
1d891e9a 13Release: 3
a5af8661 14License: GPL v2
0424b5cd 15Group: Libraries
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16Source0: https://github.com/openbabel/openbabel/archive/%{snap}/%{name}-%{version}-%{snap}.tar.gz
17# Source0-md5: 32f083d63a0a17f1871a831edad3a912
674189f4 18Patch0: %{name}-prefix.patch
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19Patch1: perl-x32.patch
20Patch2: perl-install.patch
21Patch3: ruby-install.patch
22Patch4: swig-java.patch
23Patch5: plugindir.patch
a5af8661 24URL: http://openbabel.sourceforge.net/
674189f4 25BuildRequires: cairo-devel
eebeb7a7 26BuildRequires: cmake >= 2.6.0
bb45edba 27BuildRequires: eigen3 >= 3
61ea2b64 28BuildRequires: inchi-devel >= 1.0.3
bb45edba 29%{?with_java:BuildRequires: jdk}
7de8135f 30BuildRequires: libstdc++-devel
e5243e3e 31BuildRequires: libxml2-devel >= 2.6.5
bb45edba 32%{?with_mono:BuildRequires: mono-csharp}
4afabe56 33BuildRequires: perl-devel
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34BuildRequires: rpm-perlprov
35BuildRequires: rpm-pythonprov
917a269d 36BuildRequires: rpmbuild(macros) >= 1.577
674189f4 37BuildRequires: ruby-devel
bb45edba 38BuildRequires: swig >= 2.0
3a0e7d20 39BuildRequires: wxGTK2-unicode-devel
e5243e3e 40BuildRequires: zlib-devel
8cdbb1ee 41Requires: inchi-libs >= 1.0.3
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42BuildRoot: %{tmpdir}/%{name}-%{version}-root-%(id -u -n)
43
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44%description
45Open Babel is a project designed to pick up where Babel left off, as a
46cross-platform program and library designed to interconvert between
47many file formats used in molecular modeling and computational
48chemistry.
49
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50%description -l pl.UTF-8
51Open Babel to projekt mający pozbierać to, co zostało po zaniechaniu
52projektu Babel, jako międzyplatformowy program i biblioteka służące do
53konwersji między wieloma formatami używanymi w modelowaniu cząsteczek
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54i chemii obliczeniowej.
55
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56%package devel
57Summary: Header files for OpenBabel
1d4e449f 58Summary(pl.UTF-8): Pliki nagłówkowe dla OpenBabel
0424b5cd 59Group: Development/Libraries
bf4a610f 60Requires: %{name} = %{version}-%{release}
4e28c439 61Requires: libstdc++-devel
e5243e3e 62Requires: zlib-devel
4afabe56 63Obsoletes: openbabel-static
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64
65%description devel
66Header files for OpenBabel.
67
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68%description devel -l pl.UTF-8
69Pliki nagłówkowe dla OpenBabel.
a0f4d9b2 70
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71%package gui
72Summary: OpenBabel GUI
73Summary(pl.UTF-8): Graficzny interfejs użytkownika OpenBabel
74Group: X11/Applications/Science
75Requires: %{name} = %{version}-%{release}
76
77%description gui
78Graphical User Interface for OpenBabel.
79
80%description gui -l pl.UTF-8
81Graficzny interfejs użytkownika OpenBabel.
82
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83%package -n java-openbabel
84Summary: Java binding for OpenBabel
85Summary(pl.UTF-8): Wiązanie Javy do biblioteki OpenBabel
86Group: Libraries/Java
87
88%description -n java-openbabel
89Java binding for OpenBabel.
90
91%description -n java-openbabel -l pl.UTF-8
92Wiązanie Javy do biblioteki OpenBabel.
93
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94%package -n perl-Chemistry-OpenBabel
95Summary: Perl binding for OpenBabel
96Summary(pl.UTF-8): Wiązanie Perla do biblioteki OpenBabel
97Group: Development/Languages/Perl
98Requires: %{name} = %{version}-%{release}
99
100%description -n perl-Chemistry-OpenBabel
101Perl binding for OpenBabel.
102
103%description -n perl-Chemistry-OpenBabel -l pl.UTF-8
104Wiązanie Perla do biblioteki OpenBabel.
105
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106%package -n python-openbabel
107Summary: Python binding for OpenBabel
108Summary(pl.UTF-8): Wiązanie Pythona do biblioteki OpenBabel
109Group: Libraries/Python
110Requires: %{name} = %{version}-%{release}
111
112%description -n python-openbabel
113Python binding for OpenBabel.
114
115%description -n python-openbabel -l pl.UTF-8
116Wiązanie Pythona do biblioteki OpenBabel.
117
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118%package -n ruby-openbabel
119Summary: Ruby binding for OpenBabel
120Summary(pl.UTF-8): Wiązanie języka Ruby do biblioteki OpenBabel
121Group: Development/Languages
122Requires: %{name} = %{version}-%{release}
123
124%description -n ruby-openbabel
125Ruby binding for OpenBabel.
126
127%description -n ruby-openbabel -l pl.UTF-8
128Wiązanie języka Ruby do biblioteki OpenBabel.
129
a5af8661 130%prep
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131%setup -q -c
132%{__mv} %{name}-%{snap}*/* ./
4afabe56 133%patch0 -p1
20f7e0a0 134%patch1 -p1
0f986b5a 135%patch2 -p1
b6a15389 136%patch3 -p1
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137%patch4 -p1
138%patch5 -p1
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139
140%build
4afabe56 141%cmake . \
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142 -DBIN_INSTALL_DIR=%{_bindir} \
143 -DLIB_INSTALL_DIR=%{_lib} \
bb45edba 144 %{?with_mono:-DCSHARP_BINDINGS=ON} \
da41280c 145 -DCSHARP_EXECUTABLE=/usr/bin/mcs \
f3fb0901 146 -DCMAKE_C_FLAGS_RELEASE="-DNDEBUG" \
4afabe56 147 -DCMAKE_CXX_FLAGS_RELEASE="-DNDEBUG" \
bb45edba 148 %{?with_java:-DJAVA_BINDINGS=ON} \
674189f4 149 -DOBPERL_INSTALLDIRS="vendor" \
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150 -DPERL_BINDINGS=ON \
151 -DPYTHON_BINDINGS=ON \
152 -DRUBY_BINDINGS=ON \
b6a15389 153 -DRUN_SWIG=ON \
8cdbb1ee 154 -DOPENBABEL_USE_SYSTEM_INCHI=ON \
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155 -DwxWidgets_CONFIG_EXECUTABLE=%{_bindir}/wx-gtk2-unicode-config \
156 -DPERLLIB_INSTALL_DIR=%{perl_vendorarch} \
157 -DRUBYLIB_INSTALL_DIR=%{ruby_vendorarchdir}
a5af8661 158%{__make}
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159
160%install
161rm -rf $RPM_BUILD_ROOT
5bcb70dc 162install -d $RPM_BUILD_ROOT%{py_sitedir}
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163
164%{__make} install \
20f7e0a0 165 RUBYARCHDIR=$RPM_BUILD_ROOT%{ruby_vendorarchdir} \
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166 DESTDIR=$RPM_BUILD_ROOT
167
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168%py_ocomp $RPM_BUILD_ROOT%{py_sitedir}
169%py_comp $RPM_BUILD_ROOT%{py_sitedir}
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170%py_postclean
171
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172%if %{with java}
173install -d $RPM_BUILD_ROOT%{_javadir}
174%{__mv} $RPM_BUILD_ROOT%{_libdir}/*.jar $RPM_BUILD_ROOT%{_javadir}
175%endif
176
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177%clean
178rm -rf $RPM_BUILD_ROOT
179
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180%post -p /sbin/ldconfig
181%postun -p /sbin/ldconfig
182
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183%files
184%defattr(644,root,root,755)
b6a15389 185%doc AUTHORS README.md THANKS doc/*.html
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186%attr(755,root,root) %{_bindir}/babel
187%attr(755,root,root) %{_bindir}/obabel
188%attr(755,root,root) %{_bindir}/obchiral
189%attr(755,root,root) %{_bindir}/obconformer
b6a15389 190%attr(755,root,root) %{_bindir}/obdistgen
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191%attr(755,root,root) %{_bindir}/obenergy
192%attr(755,root,root) %{_bindir}/obfit
193%attr(755,root,root) %{_bindir}/obgen
194%attr(755,root,root) %{_bindir}/obgrep
195%attr(755,root,root) %{_bindir}/obminimize
196%attr(755,root,root) %{_bindir}/obprobe
197%attr(755,root,root) %{_bindir}/obprop
bb45edba 198%attr(755,root,root) %{_bindir}/obrms
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199%attr(755,root,root) %{_bindir}/obrotamer
200%attr(755,root,root) %{_bindir}/obrotate
201%attr(755,root,root) %{_bindir}/obspectrophore
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202%attr(755,root,root) %{_bindir}/obsym
203%attr(755,root,root) %{_bindir}/obtautomer
204%attr(755,root,root) %{_bindir}/obthermo
4afabe56 205%attr(755,root,root) %{_bindir}/roundtrip
9098769f 206%attr(755,root,root) %{_libdir}/libopenbabel.so.*.*.*
4afabe56 207%attr(755,root,root) %ghost %{_libdir}/libopenbabel.so.4
e3204b8e 208%dir %{_libdir}/openbabel
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209%dir %{_libdir}/openbabel/%{version}
210%attr(755,root,root) %{_libdir}/openbabel/%{version}/*.so
9098769f 211%{_datadir}/openbabel
4afabe56 212%{_mandir}/man1/babel.1*
674189f4 213%{_mandir}/man1/obabel.1*
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214%{_mandir}/man1/obchiral.1*
215%{_mandir}/man1/obconformer.1*
216%{_mandir}/man1/obenergy.1*
217%{_mandir}/man1/obfit.1*
218%{_mandir}/man1/obgen.1*
219%{_mandir}/man1/obgrep.1*
220%{_mandir}/man1/obminimize.1*
221%{_mandir}/man1/obprobe.1*
222%{_mandir}/man1/obprop.1*
223%{_mandir}/man1/obrotamer.1*
224%{_mandir}/man1/obrotate.1*
0f986b5a 225%{_mandir}/man1/obspectrophore.1*
4afabe56 226%{_mandir}/man1/roundtrip.1*
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227
228%files devel
229%defattr(644,root,root,755)
7de8135f 230%attr(755,root,root) %{_libdir}/libopenbabel.so
057245c1 231%{_includedir}/openbabel-2.0
4afabe56 232%{_pkgconfigdir}/openbabel-2.0.pc
674189f4 233%{_libdir}/cmake/openbabel2
7de8135f 234
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235%files gui
236%defattr(644,root,root,755)
674189f4 237%attr(755,root,root) %{_bindir}/obgui
0f986b5a 238%{_mandir}/man1/obgui.1*
da41280c 239
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240%if %{with java}
241%files -n java-openbabel
242%defattr(644,root,root,755)
243%attr(755,root,root) %{_libdir}/libopenbabel_java.so
244%{_javadir}/openbabel.jar
245%endif
246
4afabe56 247%files -n perl-Chemistry-OpenBabel
8945cb5d 248%defattr(644,root,root,755)
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249%{perl_vendorarch}/Chemistry/OpenBabel.pm
250%dir %{perl_vendorarch}/auto/Chemistry/OpenBabel
4afabe56 251%attr(755,root,root) %{perl_vendorarch}/auto/Chemistry/OpenBabel/OpenBabel.so
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252
253%files -n python-openbabel
254%defattr(644,root,root,755)
255%attr(755,root,root) %{py_sitedir}/_openbabel.so
256%{py_sitedir}/openbabel.py[co]
b745b2cd 257%{py_sitedir}/pybel.py[co]
b6a15389 258#%{py_sitedir}/openbabel-1.7-py*.egg-info
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259
260%files -n ruby-openbabel
261%defattr(644,root,root,755)
20f7e0a0 262%attr(755,root,root) %{ruby_vendorarchdir}/openbabel.so
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