openSUSE Build Service

Overview Repositories Revisions Requests Users Attributes Meta

File lammps.spec of Package lammps (Revision fe42facfd22cd7ab9ed406e023e49297)

Currently displaying revision fe42facfd22cd7ab9ed406e023e49297 , Show latest

#
# spec file for package lammps
#
# Copyright (c) 2013 SUSE LINUX Products GmbH, Nuernberg, Germany.
# Copyright (c) 2017 Christoph Junghans
#
# 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 http://bugs.opensuse.org/
#

Name:           lammps
Version:        20170706
%define         uversion patch_6Jul2017
Release:        0
Summary:        Molecular Dynamics Simulator
License:        GPL-2.0
Group:          Productivity/Scientific/Chemistry
Url:            http://lammps.sandia.gov
Source0:        https://github.com/votca/tools/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz
#PATCH-FIX-UPSTREAM 573.diff, add cmake build system https://github.com/lammps/lammps/pull/573
Patch0:         https://patch-diff.githubusercontent.com/raw/lammps/lammps/pull/573.diff
BuildRequires:  fftw3-devel
BuildRequires:  gcc-c++
BuildRequires:  gcc-fortran
BuildRequires:  libpng-devel
BuildRequires:  libjpeg-devel
BuildRequires:  openmpi-devel
BuildRequires:  python-devel
BuildRequires:  fftw3-devel
BuildRequires:  voro++-devel
BuildRequires:  zlib-devel
BuildRequires:  gsl-devel
BuildRequires:  cmake
BuildRoot:      %{_tmppath}/%{name}-%{version}-build

%description
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale 
Atomic/Molecular Massively Parallel Simulator.

LAMMPS has potentials for soft materials (biomolecules, polymers) and 
solid-state materials (metals, semiconductors) and coarse-grained or 
mesoscopic systems. It can be used to model atoms or, more generically, as a 
parallel particle simulator at the atomic, meso, or continuum scale.

LAMMPS runs on single processors or in parallel using message-passing 
techniques and a spatial-decomposition of the simulation domain. The code is 
designed to be easy to modify or extend with new functionality.

%package -n liblammps0
Summary:        LAMMPS library
Group:          System/Libraries

%description -n liblammps0
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale 
Atomic/Molecular Massively Parallel Simulator.

This package contains the library of LAMMPS package.

%package devel
Summary:    Development headers and libraries for LAMMPS
Group:      Development/Libraries/C and C++
Requires:   liblammps0 = %{version}
Requires:   %{name} = %{version}

%description devel
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale 
Atomic/Molecular Massively Parallel Simulator.

This package contains development headers and libraries for LAMMPS.

%package -n python-%{name}
Summary:    LAMMPS python module
Group:      System/Libraries
Requires:   liblammps0 = %{version}

%description -n python-%{name}
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale 
Atomic/Molecular Massively Parallel Simulator.

LAMMPS's python module

%prep
%setup -q -n %{name}-%{uversion}
%patch0 -p1

%build
%{cmake} -DENABLE_ALL=ON -DENABLE_MPI=ON -DENABLE_PYTHON=ON -DENABLE_TESTING=ON ../cmake
make %{?_smp_mflags}

%install
%cmake_install

%check
LD_LIBRARY_PATH='%{buildroot}/%{_libdir}:%{_libdir}/mpi/gcc/openmpi/%{_lib}' make -C build %{?_smp_mflags} test ARGS=-V

%post -n liblammps0 -p /sbin/ldconfig
%postun -n liblammps0 -p /sbin/ldconfig

%files
%defattr(-,root,root)
%doc LICENSE README
%{_bindir}/lmp

%files -n liblammps0
%defattr(-,root,root,-)
%{_libdir}/liblammps.so.*

%files devel
%defattr(-,root,root)
%doc LICENSE
%{_includedir}/*.h
%{_libdir}/liblammps.so

%files -n python-%{name}
%defattr(-,root,root,-)
%{python_sitearch}/%{name}.py

%changelog

Places

File lammps.spec of Package lammps (Revision fe42facfd22cd7ab9ed406e023e49297)

Places