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File clipper.spec of Package clipper

#
# spec file for package clipper
#
# Copyright (c) 2022 SUSE LLC
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
# upon. The license for this file, and modifications and additions to the
# file, is the same license as for the pristine package itself (unless the
# license for the pristine package is not an Open Source License, in which
# case the license is the MIT License). An "Open Source License" is a
# license that conforms to the Open Source Definition (Version 1.9)
# published by the Open Source Initiative.

# Please submit bugfixes or comments via https://bugs.opensuse.org/
#

%define         sover 2

Name:           clipper
Version:        2.1.20201109
Release:        0
Summary:        Cross-crystal Likelihood Phase Probability Estimation and Refinement
License:        LGPL-2.1-or-later
Group:          Productivity/Scientific/Chemistry
URL:            http://www.ysbl.york.ac.uk/~cowtan/clipper/
Source0:        https://ftp.ccp4.ac.uk/opensource/%{name}-%{version}.tar.gz
# "Overlay" which uses kissfft instead of FFTW2, see http://www.ysbl.york.ac.uk/~cowtan/clipper/loveboat.html
Source1:        http://www.ysbl.york.ac.uk/~cowtan/clipper/clipper-kiss.latest.tar.gz
BuildRequires:  autoconf
BuildRequires:  automake
BuildRequires:  gcc-c++
BuildRequires:  libtool
BuildRequires:  libccp4-devel
BuildRequires:  pkg-config
BuildRequires:  pkgconfig(mmdb2)

%description
There are currently two major pressures on crystallographic computing:

* Increased automation to increase throughput in line with
      genomics applications.

* Increased data complexity, as data from more sources is
      combined and carried through the whole calculation to solve
      more difficult problems.

The Clipper project is an initiative to address these pressures.

The aim of the project is to produce a set of object-oriented
libraries for the organisation of crystallographic data and
the performance of crystallographic computation. The libraries
are designed as a framework for new crystallographic software,
which will allow the full power of modern programming
techniques to be exploited by the developer. This will lead to
greater functionality from simpler code which will be easier
to develop and debug.

%package devel
Summary:        Cross-crystal Likelihood Phase Probability Estimation and Refinement
Group:          Development/Libraries/C and C++
Requires:       lib%{name}%{sover} = %{version}

%description devel
There are currently two major pressures on crystallographic computing:

* Increased automation to increase throughput in line with
      genomics applications.

* Increased data complexity, as data from more sources is
      combined and carried through the whole calculation to solve
      more difficult problems.

The Clipper project is an initiative to address these pressures.

This package contains headers for development.

%package -n lib%{name}%{sover}
Summary:        Cross-crystal Likelihood Phase Probability Estimation and Refinement
Group:          System/Libraries

%description -n lib%{name}%{sover}
There are currently two major pressures on crystallographic computing:

* Increased automation to increase throughput in line with
      genomics applications.

* Increased data complexity, as data from more sources is
      combined and carried through the whole calculation to solve
      more difficult problems.

The Clipper project is an initiative to address these pressures.

This package contains shared libraries.

%prep
%setup -T -b 1 -n clipper
%setup -n clipper-2.1
cp ../clipper/core/*{h,c,cpp} clipper/core/

%build
export CXXFLAGS="%{optflags} -Wno-error=return-type"
sed -i -e 's/SINGLE_FFTW2//' configure.ac
sed -i -e '/CLIPPER_REQUIRES/ s/libccp4c/ccp4c/' configure.ac
autoreconf -fiv

%configure \
  --enable-mmdb --enable-ccp4 --enable-minimol \
  --enable-cns --enable-cif --enable-mmdb --disable-static \
  --enable-shared
%make_build

%install
%make_install
rm %{buildroot}/%{_libdir}/libclipper*.la

%post -n lib%{name}%{sover} -p /sbin/ldconfig
%postun -n lib%{name}%{sover} -p /sbin/ldconfig

%files -n lib%{name}%{sover}
%license COPYING
%{_libdir}/libclipper*.so.*

%files devel
%{_includedir}/%{name}
%{_libdir}/lib%{name}*.so
%{_libdir}/pkgconfig/%{name}.pc

%changelog

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