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:        12
  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 Patch7:         gcc12.patch
  27 URL:            http://openbabel.org/
  28 BuildRequires:  cairo-devel
  29 BuildRequires:  cmake >= 2.6.0
  30 BuildRequires:  eigen3 >= 3
  31 BuildRequires:  inchi-devel >= 1.0.3
  32 %{?with_java:BuildRequires:     jdk}
  33 BuildRequires:  libstdc++-devel
  34 BuildRequires:  libxml2-devel >= 1:2.6.5
  35 %{?with_mono:BuildRequires:     mono-csharp}
  36 BuildRequires:  perl-devel
  37 BuildRequires:  python
  38 BuildRequires:  python-modules
  39 BuildRequires:  rpm-perlprov
  40 BuildRequires:  rpm-pythonprov
  41 BuildRequires:  rpmbuild(macros) >= 1.605
  42 BuildRequires:  ruby-devel
  43 BuildRequires:  swig >= 2.0
  44 BuildRequires:  wxGTK3-unicode-devel
  45 BuildRequires:  zlib-devel
  46 Requires:       inchi-libs >= 1.0.3
  47 BuildRoot:      %{tmpdir}/%{name}-%{version}-root-%(id -u -n)
  48
  49 %description
  50 Open Babel is a project designed to pick up where Babel left off, as a
  51 cross-platform program and library designed to interconvert between
  52 many file formats used in molecular modeling and computational
  53 chemistry.
  54
  55 %description -l pl.UTF-8
  56 Open Babel to projekt mający pozbierać to, co zostało po zaniechaniu
  57 projektu Babel, jako międzyplatformowy program i biblioteka służące do
  58 konwersji między wieloma formatami używanymi w modelowaniu cząsteczek
  59 i chemii obliczeniowej.
  60
  61 %package devel
  62 Summary:        Header files for OpenBabel
  63 Summary(pl.UTF-8):      Pliki nagłówkowe dla OpenBabel
  64 Group:          Development/Libraries
  65 Requires:       %{name} = %{version}-%{release}
  66 Requires:       libstdc++-devel
  67 Requires:       zlib-devel
  68 Obsoletes:      openbabel-static
  69
  70 %description devel
  71 Header files for OpenBabel.
  72
  73 %description devel -l pl.UTF-8
  74 Pliki nagłówkowe dla OpenBabel.
  75
  76 %package gui
  77 Summary:        OpenBabel GUI
  78 Summary(pl.UTF-8):      Graficzny interfejs użytkownika OpenBabel
  79 Group:          X11/Applications/Science
  80 Requires:       %{name} = %{version}-%{release}
  81
  82 %description gui
  83 Graphical User Interface for OpenBabel.
  84
  85 %description gui -l pl.UTF-8
  86 Graficzny interfejs użytkownika OpenBabel.
  87
  88 %package -n java-openbabel
  89 Summary:        Java binding for OpenBabel
  90 Summary(pl.UTF-8):      Wiązanie Javy do biblioteki OpenBabel
  91 Group:          Libraries/Java
  92
  93 %description -n java-openbabel
  94 Java binding for OpenBabel.
  95
  96 %description -n java-openbabel -l pl.UTF-8
  97 Wiązanie Javy do biblioteki OpenBabel.
  98
  99 %package -n perl-Chemistry-OpenBabel
 100 Summary:        Perl binding for OpenBabel
 101 Summary(pl.UTF-8):      Wiązanie Perla do biblioteki OpenBabel
 102 Group:          Development/Languages/Perl
 103 Requires:       %{name} = %{version}-%{release}
 104
 105 %description -n perl-Chemistry-OpenBabel
 106 Perl binding for OpenBabel.
 107
 108 %description -n perl-Chemistry-OpenBabel -l pl.UTF-8
 109 Wiązanie Perla do biblioteki OpenBabel.
 110
 111 %package -n python-openbabel
 112 Summary:        Python binding for OpenBabel
 113 Summary(pl.UTF-8):      Wiązanie Pythona do biblioteki OpenBabel
 114 Group:          Libraries/Python
 115 Requires:       %{name} = %{version}-%{release}
 116
 117 %description -n python-openbabel
 118 Python binding for OpenBabel.
 119
 120 %description -n python-openbabel -l pl.UTF-8
 121 Wiązanie Pythona do biblioteki OpenBabel.
 122
 123 %package -n ruby-openbabel
 124 Summary:        Ruby binding for OpenBabel
 125 Summary(pl.UTF-8):      Wiązanie języka Ruby do biblioteki OpenBabel
 126 Group:          Development/Languages
 127 Requires:       %{name} = %{version}-%{release}
 128
 129 %description -n ruby-openbabel
 130 Ruby binding for OpenBabel.
 131
 132 %description -n ruby-openbabel -l pl.UTF-8
 133 Wiązanie języka Ruby do biblioteki OpenBabel.
 134
 135 %prep
 136 %setup -q -n %{name}-%{gitver}
 137 %patch0 -p1
 138 %patch1 -p1
 139 %patch2 -p1
 140 %patch3 -p1
 141 %patch4 -p1
 142 %patch5 -p1
 143 %patch6 -p1
 144 %patch7 -p1
 145
 146 %build
 147 %cmake . \
 148         -DBIN_INSTALL_DIR=%{_bindir} \
 149         -DLIB_INSTALL_DIR=%{_lib} \
 150         %{?with_mono:-DCSHARP_BINDINGS=ON} \
 151         -DCSHARP_EXECUTABLE=/usr/bin/mcs \
 152         -DCMAKE_C_FLAGS_RELEASE="-DNDEBUG" \
 153         -DCMAKE_CXX_FLAGS_RELEASE="-DNDEBUG" \
 154         %{?with_java:-DJAVA_BINDINGS=ON} \
 155         -DOBPERL_INSTALLDIRS="vendor" \
 156         -DPERL_BINDINGS=ON \
 157         -DPYTHON_BINDINGS=ON \
 158         -DRUBY_BINDINGS=ON \
 159         -DRUN_SWIG=ON \
 160         -DOPENBABEL_USE_SYSTEM_INCHI=ON \
 161         -DwxWidgets_CONFIG_EXECUTABLE=%{_bindir}/wx-gtk3-unicode-config \
 162         -DPERLLIB_INSTALL_DIR=%{perl_vendorarch} \
 163         -DRUBYLIB_INSTALL_DIR=%{ruby_vendorarchdir}
 164 %{__make}
 165
 166 %install
 167 rm -rf $RPM_BUILD_ROOT
 168 install -d $RPM_BUILD_ROOT%{py_sitedir}
 169
 170 %{__make} install \
 171         RUBYARCHDIR=$RPM_BUILD_ROOT%{ruby_vendorarchdir} \
 172         DESTDIR=$RPM_BUILD_ROOT
 173
 174 %py_ocomp $RPM_BUILD_ROOT%{py_sitedir}
 175 %py_comp $RPM_BUILD_ROOT%{py_sitedir}
 176 %py_postclean
 177
 178 %if %{with java}
 179 install -d $RPM_BUILD_ROOT%{_javadir}
 180 %{__mv} $RPM_BUILD_ROOT%{_libdir}/*.jar $RPM_BUILD_ROOT%{_javadir}
 181 %endif
 182
 183 %clean
 184 rm -rf $RPM_BUILD_ROOT
 185
 186 %post   -p /sbin/ldconfig
 187 %postun -p /sbin/ldconfig
 188
 189 %files
 190 %defattr(644,root,root,755)
 191 %doc AUTHORS README.md THANKS doc/*.html
 192 %attr(755,root,root) %{_bindir}/babel
 193 %attr(755,root,root) %{_bindir}/obabel
 194 %attr(755,root,root) %{_bindir}/obchiral
 195 %attr(755,root,root) %{_bindir}/obconformer
 196 %attr(755,root,root) %{_bindir}/obdistgen
 197 %attr(755,root,root) %{_bindir}/obenergy
 198 %attr(755,root,root) %{_bindir}/obfit
 199 %attr(755,root,root) %{_bindir}/obgen
 200 %attr(755,root,root) %{_bindir}/obgrep
 201 %attr(755,root,root) %{_bindir}/obminimize
 202 %attr(755,root,root) %{_bindir}/obprobe
 203 %attr(755,root,root) %{_bindir}/obprop
 204 %attr(755,root,root) %{_bindir}/obrms
 205 %attr(755,root,root) %{_bindir}/obrotamer
 206 %attr(755,root,root) %{_bindir}/obrotate
 207 %attr(755,root,root) %{_bindir}/obspectrophore
 208 %attr(755,root,root) %{_bindir}/obsym
 209 %attr(755,root,root) %{_bindir}/obtautomer
 210 %attr(755,root,root) %{_bindir}/obthermo
 211 %attr(755,root,root) %{_bindir}/roundtrip
 212 %attr(755,root,root) %{_libdir}/libopenbabel.so.*.*.*
 213 %attr(755,root,root) %ghost %{_libdir}/libopenbabel.so.5
 214 %dir %{_libdir}/openbabel
 215 %dir %{_libdir}/openbabel/%{version}
 216 %attr(755,root,root) %{_libdir}/openbabel/%{version}/*.so
 217 %{_datadir}/openbabel
 218 %{_mandir}/man1/babel.1*
 219 %{_mandir}/man1/obabel.1*
 220 %{_mandir}/man1/obchiral.1*
 221 %{_mandir}/man1/obconformer.1*
 222 %{_mandir}/man1/obenergy.1*
 223 %{_mandir}/man1/obfit.1*
 224 %{_mandir}/man1/obgen.1*
 225 %{_mandir}/man1/obgrep.1*
 226 %{_mandir}/man1/obminimize.1*
 227 %{_mandir}/man1/obprobe.1*
 228 %{_mandir}/man1/obprop.1*
 229 %{_mandir}/man1/obrotamer.1*
 230 %{_mandir}/man1/obrotate.1*
 231 %{_mandir}/man1/obspectrophore.1*
 232 %{_mandir}/man1/roundtrip.1*
 233
 234 %files devel
 235 %defattr(644,root,root,755)
 236 %attr(755,root,root) %{_libdir}/libopenbabel.so
 237 %{_includedir}/openbabel-2.0
 238 %{_pkgconfigdir}/openbabel-2.0.pc
 239 %{_libdir}/cmake/openbabel2
 240
 241 %files gui
 242 %defattr(644,root,root,755)
 243 %attr(755,root,root) %{_bindir}/obgui
 244 %{_mandir}/man1/obgui.1*
 245
 246 %if %{with java}
 247 %files -n java-openbabel
 248 %defattr(644,root,root,755)
 249 %attr(755,root,root) %{_libdir}/libopenbabel_java.so
 250 %{_javadir}/openbabel.jar
 251 %endif
 252
 253 %files -n perl-Chemistry-OpenBabel
 254 %defattr(644,root,root,755)
 255 %{perl_vendorarch}/Chemistry/OpenBabel.pm
 256 %dir %{perl_vendorarch}/auto/Chemistry/OpenBabel
 257 %attr(755,root,root) %{perl_vendorarch}/auto/Chemistry/OpenBabel/OpenBabel.so
 258
 259 %files -n python-openbabel
 260 %defattr(644,root,root,755)
 261 %attr(755,root,root) %{py_sitedir}/_openbabel.so
 262 %{py_sitedir}/openbabel.py[co]
 263 %{py_sitedir}/pybel.py[co]
 264 #%{py_sitedir}/openbabel-1.7-py*.egg-info
 265
 266 %files -n ruby-openbabel
 267 %defattr(644,root,root,755)
 268 %attr(755,root,root) %{ruby_vendorarchdir}/openbabel.so