Name:           libcint

Version:        2.8.7

Release:        3%{?dist}

Summary:        General Gaussian-type orbitals integrals for quantum chemistry

License:        BSD

URL:            https://github.com/sunqm/libcint

Source0:        https://github.com/sunqm/libcint/archive/v%{version}.tar.gz

# ARM, ppc64(LE) have no sbcl package

ExcludeArch:    %{arm} aarch64 %{power64}

Conflicts:      qcint

BuildRequires:  gcc-gfortran

BuildRequires:  atlas-devel 

BuildRequires:  cmake 

BuildRequires:  sbcl

BuildRequires:  python2-devel 

BuildRequires:  numpy 

%description    

libcint is an open source library for analytical Gaussian integrals.

It provides C/Fortran API to evaluate one-electron / two-electron

integrals for Cartesian / real-spherical / spinor Gaussian type functions.

%package        devel

Summary:        Development files for %{name}

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

%description    devel

The %{name}-devel package contains libraries and header files for

developing applications that use %{name}.

%prep

%setup -q

%build

mkdir build

cd build

export CXXFLAGS="%{optflags} -Wl,--as-needed"

%cmake -DENABLE_EXAMPLE=1 -DWITH_RANGE_COULOMB=1 -DQUICK_TEST=1 -DBLAS_LIBRARIES=%{_libdir}/atlas/libtatlas.so ..

make %{?_smp_mflags} VERBOSE=1

%install

make -C build install DESTDIR=%{buildroot}

%check

make -C build test ARGS=-V

%post -p /sbin/ldconfig

%postun -p /sbin/ldconfig

%files

%doc README ChangeLog

%license LICENSE

%{_libdir}/libcint.so.*

%files devel

%{_includedir}/cint.h

%{_libdir}/libcint.so

%changelog

* Mon Sep 19 2016 Matt Chan <talcite@gmail.com> - 2.8.7-3

- Disable aarch64 builds because of missing dependency

* Mon Sep 19 2016 Matt Chan <talcite@gmail.com> - 2.8.7

- Disable ppc64(LE) builds because of missing dependency

* Tue Jul 19 2016 Matt Chan <talcite@gmail.com> - 2.8.6

- Initial build