From b9cb9ca2fd07289ff6ca8ca5e4735329be070dd2 Mon Sep 17 00:00:00 2001 From: CoprDistGit Date: Wed, 10 May 2023 05:39:35 +0000 Subject: automatic import of python-moltemplate --- .gitignore | 1 + python-moltemplate.spec | 79 +++++++++++++++++++++++++++++++++++++++++++++++++ sources | 1 + 3 files changed, 81 insertions(+) create mode 100644 python-moltemplate.spec create mode 100644 sources diff --git a/.gitignore b/.gitignore index e69de29..bc8047e 100644 --- a/.gitignore +++ b/.gitignore @@ -0,0 +1 @@ +/moltemplate-2.20.20.tar.gz 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 - 2.20.20-1 +- Package Spec generated diff --git a/sources b/sources new file mode 100644 index 0000000..3d45f32 --- /dev/null +++ b/sources @@ -0,0 +1 @@ +d0cc349025176d8c024dd139c437c6d6 moltemplate-2.20.20.tar.gz -- cgit v1.2.3