Name:           libghemical

Summary:        Libraries for the Ghemical chemistry package

Version:        3.0.0

Release:        14%{?dist}

License:        GPLv2+

URL:            http://www.bioinformatics.org/ghemical/ghemical/index.html

Source0:        http://www.bioinformatics.org/ghemical/download/current/%{name}-%{version}.tar.gz

BuildRequires:  flexiblas-devel

BuildRequires:  flex

BuildRequires:  glib2-devel

BuildRequires:  gcc-c++

BuildRequires:  gcc-gfortran

BuildRequires:  libtool

BuildRequires:  intltool

BuildRequires:  libint-devel

BuildRequires:  mesa-libGLU-devel

BuildRequires:  mpqc-devel

BuildRequires:  mopac7-devel

# Libint releases can have API breakages, leading to segfaults.

#Requires:       libint%{?_isa} = %{_libint_version}

Requires:       libint(api)%{?_isa} = %{_libint_apiversion}

%description

Data files and dynamic libraries for the Ghemical chemistry package.

These libraries implement the quantum-mechanics and molecular

mechanics models used to compute molecular properties.

%package devel

Summary:    Header files and static libraries from %{name}

Requires:   %{name}%{?_isa} = %{version}-%{release}

Requires:   pkgconfig

%description devel

Libraries and header include files for developing programs based on %{name}.

%prep

%setup -q

#%%patch0 -p0

%build

sed -i 's/blas/flexiblas/g' configure.ac

sed -i 's/lapack/flexiblas/g' configure.ac

autoreconf -v -f -i

#libtoolize --copy --force

#aclocal -I m4

#autoconf

#automake

%configure --enable-mopac7 --enable-mpqc --disable-static --disable-sctest

make %{?_smp_mflags}

sed -ir -e 's/^Libs:.*/Libs: -L${libdir} -lghemical/g' libghemical.pc

%install

rm -rf %{buildroot}

make DESTDIR="%{buildroot}" INSTALL="install -p" install

find %{buildroot}%{_libdir} -name *.la -exec rm -rf {} \;

%find_lang %{name}

%ldconfig_scriptlets

%files -f %{name}.lang

%doc AUTHORS ChangeLog TODO

%license COPYING

%{_datadir}/%{name}/

%{_libdir}/libghemical.so.*

%files devel

%{_includedir}/ghemical/

%{_libdir}/libghemical.so

%{_libdir}/pkgconfig/libghemical.pc

%changelog

* Thu Aug 27 2020 Iñaki Úcar <iucar@fedoraproject.org> - 3.0.0-14

- https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager

* Tue Jul 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-13

- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild

* Wed Jan 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-12

- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild

* Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-11

- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild

* Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-10

- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild

* Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 3.0

.0-9

- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild

* Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-8

- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild

* Wed Jan 31 2018 Mamoru TASAKA <mtasaka@fedoraproject.org> - 3.0.0-7

- F-28: rebuild for gfortran 8

* Thu Aug 03 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-6.1

- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild

* Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-5.1

- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild

* Mon May 15 2017 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.0.0-4.1

- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild

* Fri Feb 10 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-3.1

- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild

* Sun Jan 29 2017 Mamoru TASAKA <mtasaka@fedoraproject.org> - 3.0.0-2.1

- F-26: rebuild against gfortran 7

* Fri May  6 2016 Mamoru TASAKA <mtasaka@fedoraproject.org>

- Rebuild

* Fri May  6 2016 Mamoru TASAKA <mtasaka@fedoraproject.org> - 3.0.0-1

- 3.0.0

* Fri May  6 2016 Mamoru TASAKA <mtasaka@fedoraproject.org> - 2.99.1-32

- Rebuild with fixed mpqc (sc-config)

- Kill libghemical-use-atlas.patch, fixed in mpqc side

* Thu Feb 04 2016 Fedora Release Engineering <releng@fedoraproject.org> - 2.99.1-31

- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild

* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.1-30

- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild

* Sat May 02 2015 Kalev Lember <kalevlember@gmail.com> - 2.99.1-29

- Rebuilt for GCC 5 C++11 ABI change

* Tue Nov 18 2014 Mamoru TASAKA <mtasaka@fedoraproject.org> - 2.99.1-28

- Once revert to the version which is currently buildroot

- Add needed BRs

- Fix Requires for libint api

* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.1-27

- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild

* Mon Dec 23 2013 Susi Lehtola <jussilehtola@fedoraproject.org> 2.99.1-26

- Rebuild for new libint.

* Sun Sep 22 2013 Carl Byington <carl@five-ten-sg.com> 2.99.1-25

- rebuild for new atlas and blas libraries

* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.1-24

- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild

* Fri Mar 29 2013 Carl Byington <carl@five-ten-sg.com> 2.99.1-23

- add autoreconf for aarch64

* Thu Feb 14 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.1-22

- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild

* Wed Jul 25 2012 Jussi Lehtola <jussilehtola@fedoraproject.org> - 2.99.1-21

- Rebuild due to changed libint.

* Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.1-20

- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild

* Tue Feb 28 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.1-19

- Rebuilt for c++ ABI breakage

* Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.99.1-18

- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild

* Wed Dec 08 2010 Carl Byington <carl@five-ten-sg.com> 2.99.1-17

- rebuild for libint changes

* Sun Jun 20 2010 Carl Byington <carl@five-ten-sg.com> 2.99.1-16

- new tag need for make build

* Tue Apr 20 2010 Carl Byington <carl@five-ten-sg.com> 2.99.1-15

- patch libghemical.pc to avoid unnecessary parts

* Thu Apr 08 2010 Carl Byington <carl@five-ten-sg.com> 2.99.1-14

- patch configure.ac to pull in the required sc_ libs

* Mon Apr 05 2010 Carl Byington <carl@five-ten-sg.com> 2.99.1-13

- improved package description

- link against mopac7 since we need that

- remove unnecessary build-requires

* Sat Apr 03 2010 Carl Byington <carl@five-ten-sg.com> 2.99.1-12

- merge -data and -libs packages into main package

* Sat Jan 09 2010 Carl Byington <carl@five-ten-sg.com> 2.99.1-11

- add COPYING license file to doc

* Mon Jan 04 2010 Carl Byington <carl@five-ten-sg.com> 2.99.1-10

- use blas and lapack from atlas.

* Wed Dec 23 2009 Carl Byington <carl@five-ten-sg.com> 2.99.1-9

- devel requires pkgconfig for EPEL

* Wed Dec 23 2009 Carl Byington <carl@five-ten-sg.com> 2.99.1-8

- install -p to preserve timestamps

- trim changelog

- explicit includedir name

- add pkgconfig for EPEL

* Sun Dec 20 2009 Carl Byington <carl@five-ten-sg.com> 2.99.1-7

- explicit names in %%files section rather than wildcards

* Sat Dec 05 2009 Carl Byington <carl@five-ten-sg.com> 2.99.1-6

- remove unnecessary f2c requirement

* Wed Dec 02 2009 Carl Byington <carl@five-ten-sg.com> 2.99.1-5

- convert to fedora compatible spec file

- remove static libraries

* Fri Oct 16 2009 Guillaume Bedot <littletux@mandriva.org> 2.99.1-4mdv2010.0

- Revision: 457836

- rebuild