openbabel.spec

   1 # TODO:
   2 # - install+package csharp bindings
   3 #
   4 # Conditional build:
   5 %bcond_with     java    # Java/JNI bindings
   6 %bcond_with     mono    # .NET/C# bindings
   7 #
   8 %define gitver  openbabel-2-4-1
   9 Summary:        A cross-platform chemistry program and library designed to convert file formats
  10 Summary(pl.UTF-8):      Międzyplatformowy program chemiczny i biblioteka do konwersji formatów plików
  11 Name:           openbabel
  12 Version:        2.4.1
  13 Release:        6
  14 License:        GPL v2
  15 Group:          Libraries
  16 #Source0Download: https://github.com/openbabel/openbabel/releases
  17 Source0:        https://github.com/openbabel/openbabel/archive/%{gitver}/%{name}-%{version}.tar.gz
  18 # Source0-md5:  c0e0aefeef0f9f2bb2c78109d65c30a5
  19 Patch0:         %{name}-prefix.patch
  20 Patch1:         perl-x32.patch
  21 Patch2:         perl-install.patch
  22 Patch3:         ruby-install.patch
  23 Patch4:         gcc6.patch
  24 Patch5:         plugindir.patch
  25 Patch6:         cmake.patch
  26 URL:            http://openbabel.org/
  27 BuildRequires:  cairo-devel
  28 BuildRequires:  cmake >= 2.6.0
  29 BuildRequires:  eigen3 >= 3
  30 BuildRequires:  inchi-devel >= 1.0.3
  31 %{?with_java:BuildRequires:     jdk}
  32 BuildRequires:  libstdc++-devel
  33 BuildRequires:  libxml2-devel >= 2.6.5
  34 %{?with_mono:BuildRequires:     mono-csharp}
  35 BuildRequires:  perl-devel
  36 BuildRequires:  rpm-perlprov
  37 BuildRequires:  rpm-pythonprov
  38 BuildRequires:  rpmbuild(macros) >= 1.577
  39 BuildRequires:  ruby-devel
  40 BuildRequires:  swig >= 2.0
  41 BuildRequires:  wxGTK2-unicode-devel
  42 BuildRequires:  zlib-devel
  43 Requires:       inchi-libs >= 1.0.3
  44 BuildRoot:      %{tmpdir}/%{name}-%{version}-root-%(id -u -n)
  45
  46 %description
  47 Open Babel is a project designed to pick up where Babel left off, as a
  48 cross-platform program and library designed to interconvert between
  49 many file formats used in molecular modeling and computational
  50 chemistry.
  51
  52 %description -l pl.UTF-8
  53 Open Babel to projekt mający pozbierać to, co zostało po zaniechaniu
  54 projektu Babel, jako międzyplatformowy program i biblioteka służące do
  55 konwersji między wieloma formatami używanymi w modelowaniu cząsteczek
  56 i chemii obliczeniowej.
  57
  58 %package devel
  59 Summary:        Header files for OpenBabel
  60 Summary(pl.UTF-8):      Pliki nagłówkowe dla OpenBabel
  61 Group:          Development/Libraries
  62 Requires:       %{name} = %{version}-%{release}
  63 Requires:       libstdc++-devel
  64 Requires:       zlib-devel
  65 Obsoletes:      openbabel-static
  66
  67 %description devel
  68 Header files for OpenBabel.
  69
  70 %description devel -l pl.UTF-8
  71 Pliki nagłówkowe dla OpenBabel.
  72
  73 %package gui
  74 Summary:        OpenBabel GUI
  75 Summary(pl.UTF-8):      Graficzny interfejs użytkownika OpenBabel
  76 Group:          X11/Applications/Science
  77 Requires:       %{name} = %{version}-%{release}
  78
  79 %description gui
  80 Graphical User Interface for OpenBabel.
  81
  82 %description gui -l pl.UTF-8
  83 Graficzny interfejs użytkownika OpenBabel.
  84
  85 %package -n java-openbabel
  86 Summary:        Java binding for OpenBabel
  87 Summary(pl.UTF-8):      Wiązanie Javy do biblioteki OpenBabel
  88 Group:          Libraries/Java
  89
  90 %description -n java-openbabel
  91 Java binding for OpenBabel.
  92
  93 %description -n java-openbabel -l pl.UTF-8
  94 Wiązanie Javy do biblioteki OpenBabel.
  95
  96 %package -n perl-Chemistry-OpenBabel
  97 Summary:        Perl binding for OpenBabel
  98 Summary(pl.UTF-8):      Wiązanie Perla do biblioteki OpenBabel
  99 Group:          Development/Languages/Perl
 100 Requires:       %{name} = %{version}-%{release}
 101
 102 %description -n perl-Chemistry-OpenBabel
 103 Perl binding for OpenBabel.
 104
 105 %description -n perl-Chemistry-OpenBabel -l pl.UTF-8
 106 Wiązanie Perla do biblioteki OpenBabel.
 107
 108 %package -n python-openbabel
 109 Summary:        Python binding for OpenBabel
 110 Summary(pl.UTF-8):      Wiązanie Pythona do biblioteki OpenBabel
 111 Group:          Libraries/Python
 112 Requires:       %{name} = %{version}-%{release}
 113
 114 %description -n python-openbabel
 115 Python binding for OpenBabel.
 116
 117 %description -n python-openbabel -l pl.UTF-8
 118 Wiązanie Pythona do biblioteki OpenBabel.
 119
 120 %package -n ruby-openbabel
 121 Summary:        Ruby binding for OpenBabel
 122 Summary(pl.UTF-8):      Wiązanie języka Ruby do biblioteki OpenBabel
 123 Group:          Development/Languages
 124 Requires:       %{name} = %{version}-%{release}
 125
 126 %description -n ruby-openbabel
 127 Ruby binding for OpenBabel.
 128
 129 %description -n ruby-openbabel -l pl.UTF-8
 130 Wiązanie języka Ruby do biblioteki OpenBabel.
 131
 132 %prep
 133 %setup -q -n %{name}-%{gitver}
 134 %patch0 -p1
 135 %patch1 -p1
 136 %patch2 -p1
 137 %patch3 -p1
 138 %patch4 -p1
 139 %patch5 -p1
 140 %patch6 -p1
 141
 142 %build
 143 %cmake . \
 144         -DBIN_INSTALL_DIR=%{_bindir} \
 145         -DLIB_INSTALL_DIR=%{_lib} \
 146         %{?with_mono:-DCSHARP_BINDINGS=ON} \
 147         -DCSHARP_EXECUTABLE=/usr/bin/mcs \
 148         -DCMAKE_C_FLAGS_RELEASE="-DNDEBUG" \
 149         -DCMAKE_CXX_FLAGS_RELEASE="-DNDEBUG" \
 150         %{?with_java:-DJAVA_BINDINGS=ON} \
 151         -DOBPERL_INSTALLDIRS="vendor" \
 152         -DPERL_BINDINGS=ON \
 153         -DPYTHON_BINDINGS=ON \
 154         -DRUBY_BINDINGS=ON \
 155         -DRUN_SWIG=ON \
 156         -DOPENBABEL_USE_SYSTEM_INCHI=ON \
 157         -DwxWidgets_CONFIG_EXECUTABLE=%{_bindir}/wx-gtk2-unicode-config \
 158         -DPERLLIB_INSTALL_DIR=%{perl_vendorarch} \
 159         -DRUBYLIB_INSTALL_DIR=%{ruby_vendorarchdir}
 160 %{__make}
 161
 162 %install
 163 rm -rf $RPM_BUILD_ROOT
 164 install -d $RPM_BUILD_ROOT%{py_sitedir}
 165
 166 %{__make} install \
 167         RUBYARCHDIR=$RPM_BUILD_ROOT%{ruby_vendorarchdir} \
 168         DESTDIR=$RPM_BUILD_ROOT
 169
 170 %py_ocomp $RPM_BUILD_ROOT%{py_sitedir}
 171 %py_comp $RPM_BUILD_ROOT%{py_sitedir}
 172 %py_postclean
 173
 174 %if %{with java}
 175 install -d $RPM_BUILD_ROOT%{_javadir}
 176 %{__mv} $RPM_BUILD_ROOT%{_libdir}/*.jar $RPM_BUILD_ROOT%{_javadir}
 177 %endif
 178
 179 %clean
 180 rm -rf $RPM_BUILD_ROOT
 181
 182 %post   -p /sbin/ldconfig
 183 %postun -p /sbin/ldconfig
 184
 185 %files
 186 %defattr(644,root,root,755)
 187 %doc AUTHORS README.md THANKS doc/*.html
 188 %attr(755,root,root) %{_bindir}/babel
 189 %attr(755,root,root) %{_bindir}/obabel
 190 %attr(755,root,root) %{_bindir}/obchiral
 191 %attr(755,root,root) %{_bindir}/obconformer
 192 %attr(755,root,root) %{_bindir}/obdistgen
 193 %attr(755,root,root) %{_bindir}/obenergy
 194 %attr(755,root,root) %{_bindir}/obfit
 195 %attr(755,root,root) %{_bindir}/obgen
 196 %attr(755,root,root) %{_bindir}/obgrep
 197 %attr(755,root,root) %{_bindir}/obminimize
 198 %attr(755,root,root) %{_bindir}/obprobe
 199 %attr(755,root,root) %{_bindir}/obprop
 200 %attr(755,root,root) %{_bindir}/obrms
 201 %attr(755,root,root) %{_bindir}/obrotamer
 202 %attr(755,root,root) %{_bindir}/obrotate
 203 %attr(755,root,root) %{_bindir}/obspectrophore
 204 %attr(755,root,root) %{_bindir}/obsym
 205 %attr(755,root,root) %{_bindir}/obtautomer
 206 %attr(755,root,root) %{_bindir}/obthermo
 207 %attr(755,root,root) %{_bindir}/roundtrip
 208 %attr(755,root,root) %{_libdir}/libopenbabel.so.*.*.*
 209 %attr(755,root,root) %ghost %{_libdir}/libopenbabel.so.5
 210 %dir %{_libdir}/openbabel
 211 %dir %{_libdir}/openbabel/%{version}
 212 %attr(755,root,root) %{_libdir}/openbabel/%{version}/*.so
 213 %{_datadir}/openbabel
 214 %{_mandir}/man1/babel.1*
 215 %{_mandir}/man1/obabel.1*
 216 %{_mandir}/man1/obchiral.1*
 217 %{_mandir}/man1/obconformer.1*
 218 %{_mandir}/man1/obenergy.1*
 219 %{_mandir}/man1/obfit.1*
 220 %{_mandir}/man1/obgen.1*
 221 %{_mandir}/man1/obgrep.1*
 222 %{_mandir}/man1/obminimize.1*
 223 %{_mandir}/man1/obprobe.1*
 224 %{_mandir}/man1/obprop.1*
 225 %{_mandir}/man1/obrotamer.1*
 226 %{_mandir}/man1/obrotate.1*
 227 %{_mandir}/man1/obspectrophore.1*
 228 %{_mandir}/man1/roundtrip.1*
 229
 230 %files devel
 231 %defattr(644,root,root,755)
 232 %attr(755,root,root) %{_libdir}/libopenbabel.so
 233 %{_includedir}/openbabel-2.0
 234 %{_pkgconfigdir}/openbabel-2.0.pc
 235 %{_libdir}/cmake/openbabel2
 236
 237 %files gui
 238 %defattr(644,root,root,755)
 239 %attr(755,root,root) %{_bindir}/obgui
 240 %{_mandir}/man1/obgui.1*
 241
 242 %if %{with java}
 243 %files -n java-openbabel
 244 %defattr(644,root,root,755)
 245 %attr(755,root,root) %{_libdir}/libopenbabel_java.so
 246 %{_javadir}/openbabel.jar
 247 %endif
 248
 249 %files -n perl-Chemistry-OpenBabel
 250 %defattr(644,root,root,755)
 251 %{perl_vendorarch}/Chemistry/OpenBabel.pm
 252 %dir %{perl_vendorarch}/auto/Chemistry/OpenBabel
 253 %attr(755,root,root) %{perl_vendorarch}/auto/Chemistry/OpenBabel/OpenBabel.so
 254
 255 %files -n python-openbabel
 256 %defattr(644,root,root,755)
 257 %attr(755,root,root) %{py_sitedir}/_openbabel.so
 258 %{py_sitedir}/openbabel.py[co]
 259 %{py_sitedir}/pybel.py[co]
 260 #%{py_sitedir}/openbabel-1.7-py*.egg-info
 261
 262 %files -n ruby-openbabel
 263 %defattr(644,root,root,755)
 264 %attr(755,root,root) %{ruby_vendorarchdir}/openbabel.so