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+%global         release_type    stable
+%global         numric_version  20201029
+%global         uversion        %(v=%{numric_version};
+                                months=("" Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec);
+                                d=${v:6:2};
+                                m=${v:4:2};
+                                y=${v:0:4};
+                                echo ${d#0}${months[${m#0}]}${y})
+%global         release_tag     %{release_type}_%{uversion}
+
+%global         lammps_desc     %{expand:LAMMPS is a classical molecular dynamics code with a focus on materials
+modeling. It's an acronym for Large-scale Atomic/Molecular Massively
+Parallel Simulator.
+
+LAMMPS has potentials for solid-state materials (metals, semiconductors)
+and soft matter (biomolecules, polymers) 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. Many
+of its models have versions that provide accelerated performance on CPUs,
+GPUs, and Intel Xeon Phis. The code is designed to be easy to modify or
+extend with new functionality.}
+
+Name:           lammps
+Version:        %{numric_version}
+Release:        1
+Summary:        Public development project of the LAMMPS MD software package
+
+License:        GPL-2.0
+URL:            https://www.lammps.org/
+Source0:        https://github.com/%{name}/%{name}/archive/refs/tags/%{release_tag}.tar.gz#/%{name}-%{release_tag}.tar.gz
+
+BuildRequires:  gcc-c++ gcc-gfortran make cmake ffmpeg zlib-devel libpng-devel
+BuildRequires:  hdf5-devel python3-devel gzip vim-common readline-devel
+BuildRequires:  kim-api-devel kim-api-examples voro++-devel
+Requires:       setup
+
+%description
+%{lammps_desc}
+
+
+%package        devel
+Summary:        Development libraries for LAMMPS
+Requires:       %{name}%{?_isa} = %{version}-%{release}
+
+%description devel
+%{lammps_desc}
+
+
+%package        -n python3-%{name}
+Summary:        LAMMPS Python interface
+Requires:       python3
+Requires:       %{name}%{?_isa} = %{version}-%{release}
+%{?python_provide:%python_provide python3-%{name}}
+
+%description -n python3-%{name}
+%{lammps_desc}
+
+This package contains LAMMPS Python interface.
+
+
+%package        data
+Summary:        Data files for LAMMPS
+BuildArch:      noarch
+
+%description    data
+%{lammps_desc}
+
+This package contains data files for LAMMPS.
+
+
+%prep
+%autosetup -n %{name}-%{release_tag}
+
+
+%build
+%{__mkdir_p} build
+pushd build >/dev/null || exit 1
+# disable INTEL features since our x86 platform is run on higon's chip
+%cmake -DCMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT:BOOL=OFF \
+    -DBUILD_LAMMPS_SHELL=ON \
+    -DBUILD_OMP=ON \
+    -DBUILD_TOOLS=ON \
+    -DCMAKE_BUILD_TYPE=Release \
+    -DCMAKE_INSTALL_PREFIX=%{_prefix} \
+    -DCMAKE_INSTALL_SYSCONFDIR=%{_sysconfdir} \
+    -DCMAKE_TUNE_FLAGS='' \
+    -DPKG_GPU=OFF \
+    -DPKG_KIM=ON \
+    -DPKG_PYTHON=ON \
+    -DPKG_USER-H5MD=ON \
+    -DPKG_USER-INTEL=OFF \
+    -DPKG_VORONOI=ON \
+    -DPYTHON_INSTDIR=%{python3_sitelib} \
+    ../cmake
+%make_build
+popd >/dev/null ||:
+
+
+%install
+%make_install -C build
+
+%post
+ldconfig || :
+
+
+%postun
+ldconfig || :
+
+
+%files
+%license LICENSE
+%doc README
+%{_bindir}/lmp
+%{_bindir}/binary2txt
+%{_bindir}/chain.x
+%{_bindir}/%{name}-shell
+%{_bindir}/msi2lmp
+%{_libdir}/liblammps.so.*
+%{_mandir}/man1/lmp.1*
+%{_mandir}/man1/msi2lmp.1*
+
+
+%files devel
+%dir %{_includedir}/%{name}
+%{_includedir}/%{name}/*.h
+%{_libdir}/cmake/LAMMPS
+%{_libdir}/liblammps.so
+%{_libdir}/pkgconfig/liblammps.pc
+
+
+%files -n python3-%{name}
+%{python3_sitelib}/%{name}.py*
+%{python3_sitelib}/__pycache__/%{name}*
+
+
+%files data
+%license LICENSE
+%dir %{_datadir}/%{name}
+%{_datadir}/%{name}/potentials
+%{_datadir}/%{name}/frc_files
+%{_datadir}/icons/hicolor/128x128/apps/%{name}.png
+%{_datadir}/icons/hicolor/16x16/apps/%{name}.png
+%{_datadir}/icons/hicolor/22x22/apps/%{name}.png
+%{_datadir}/icons/hicolor/32x32/apps/%{name}.png
+%{_datadir}/icons/hicolor/48x48/apps/%{name}.png
+%{_datadir}/icons/hicolor/64x64/apps/%{name}.png
+%{_datadir}/icons/%{name}.ico
+%{_datadir}/icons/lmpfile.ico
+%{_datadir}/applications/%{name}-shell.desktop
+%config %{_sysconfdir}/profile.d/%{name}.*
+
+
+%changelog
+* Wed Aug 11 2021 herengui <herengui@uniontech.com> - 20201029-1
+- Package init