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diff --git a/python-moltemplate.spec b/python-moltemplate.spec new file mode 100644 index 0000000..620e495 --- /dev/null +++ b/python-moltemplate.spec @@ -0,0 +1,79 @@ +%global _empty_manifest_terminate_build 0 +Name: python-moltemplate +Version: 2.20.20 +Release: 1 +Summary: A general cross-platform text-based molecule builder for LAMMPS +License: MIT +URL: https://github.com/jewettaij/moltemplate +Source0: https://mirrors.nju.edu.cn/pypi/web/packages/26/cc/56ce47c0452b99c581b920e9f3fc25e65767a986121d3420ec8c88e4bc7e/moltemplate-2.20.20.tar.gz +BuildArch: noarch + +Requires: python3-numpy + +%description +Moltemplate is a general cross-platform text-based molecule builder for LAMMPS and ESPResSo. Moltemplate was intended for building custom coarse-grained molecular models, but it can be used to prepare realistic all-atom simulations as well. It supports a variety of force fields for all-atom and coarse-grained modeling (including many-body forces and non-point-like particles). New force fields and examples are added continually by users. NOTE: Downloading moltemplate from pypi using PIP will omit all examples and documentation. Examples and documentation are available at https://moltemplate.org and https://github.com/jewettaij/moltemplate. + + + +%package -n python3-moltemplate +Summary: A general cross-platform text-based molecule builder for LAMMPS +Provides: python-moltemplate +BuildRequires: python3-devel +BuildRequires: python3-setuptools +BuildRequires: python3-pip +%description -n python3-moltemplate +Moltemplate is a general cross-platform text-based molecule builder for LAMMPS and ESPResSo. Moltemplate was intended for building custom coarse-grained molecular models, but it can be used to prepare realistic all-atom simulations as well. It supports a variety of force fields for all-atom and coarse-grained modeling (including many-body forces and non-point-like particles). New force fields and examples are added continually by users. NOTE: Downloading moltemplate from pypi using PIP will omit all examples and documentation. Examples and documentation are available at https://moltemplate.org and https://github.com/jewettaij/moltemplate. + + + +%package help +Summary: Development documents and examples for moltemplate +Provides: python3-moltemplate-doc +%description help +Moltemplate is a general cross-platform text-based molecule builder for LAMMPS and ESPResSo. Moltemplate was intended for building custom coarse-grained molecular models, but it can be used to prepare realistic all-atom simulations as well. It supports a variety of force fields for all-atom and coarse-grained modeling (including many-body forces and non-point-like particles). New force fields and examples are added continually by users. NOTE: Downloading moltemplate from pypi using PIP will omit all examples and documentation. Examples and documentation are available at https://moltemplate.org and https://github.com/jewettaij/moltemplate. + + + +%prep +%autosetup -n moltemplate-2.20.20 + +%build +%py3_build + +%install +%py3_install +install -d -m755 %{buildroot}/%{_pkgdocdir} +if [ -d doc ]; then cp -arf doc %{buildroot}/%{_pkgdocdir}; fi +if [ -d docs ]; then cp -arf docs %{buildroot}/%{_pkgdocdir}; fi +if [ -d example ]; then cp -arf example %{buildroot}/%{_pkgdocdir}; fi +if [ -d examples ]; then cp -arf examples %{buildroot}/%{_pkgdocdir}; fi +pushd %{buildroot} +if [ -d usr/lib ]; then + find usr/lib -type f -printf "/%h/%f\n" >> filelist.lst +fi +if [ -d usr/lib64 ]; then + find usr/lib64 -type f -printf "/%h/%f\n" >> filelist.lst +fi +if [ -d usr/bin ]; then + find usr/bin -type f -printf "/%h/%f\n" >> filelist.lst +fi +if [ -d usr/sbin ]; then + find usr/sbin -type f -printf "/%h/%f\n" >> filelist.lst +fi +touch doclist.lst +if [ -d usr/share/man ]; then + find usr/share/man -type f -printf "/%h/%f.gz\n" >> doclist.lst +fi +popd +mv %{buildroot}/filelist.lst . +mv %{buildroot}/doclist.lst . + +%files -n python3-moltemplate -f filelist.lst +%dir %{python3_sitelib}/* + +%files help -f doclist.lst +%{_docdir}/* + +%changelog +* Wed May 10 2023 Python_Bot <Python_Bot@openeuler.org> - 2.20.20-1 +- Package Spec generated |