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%global _empty_manifest_terminate_build 0
Name: python-openbabel
Version: 3.1.1.1
Release: 1
Summary: Python interface to the Open Babel chemistry library
License: GPL-2.0
URL: http://openbabel.org/
Source0: https://mirrors.nju.edu.cn/pypi/web/packages/9d/3f/f08f5d1422d74ed0e1e612870b343bfcc26313bdf9efec9165c3ea4b3ae2/openbabel-3.1.1.1.tar.gz
BuildArch: noarch
%description
This is a Python interface to the Open Babel chemistry library. For the
main Open Babel project, see http://openbabel.org.
Open Babel is a chemical toolbox designed to speak the many languages
of chemical data. It's an open, collaborative project allowing anyone
to search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas. For
installation instructions, tutorials and examples, please visit the
`Open Babel website`_.
This package provides two Python modules that can be used to access the
functionality of the Open Babel toolkit:
- The `openbabel`_ module: A wrapper that is automatically generated using
the SWIG package and provides access to almost all of the Open Babel
interfaces via Python, including the base classes OBMol, OBAtom, OBBond,
and OBResidue, as well as the conversion framework OBConversion.
- The `pybel`_ module: A lightweight wrapper around the classes and methods
in the openbabel module. Pybel provides more convenient and Pythonic ways
to access the Open Babel toolkit.
For detailed installation instructions, API documentation and further information
on the Python bindings, see the `Python pages on the Open Babel website`_.
%package -n python3-openbabel
Summary: Python interface to the Open Babel chemistry library
Provides: python-openbabel
BuildRequires: python3-devel
BuildRequires: python3-setuptools
BuildRequires: python3-pip
%description -n python3-openbabel
This is a Python interface to the Open Babel chemistry library. For the
main Open Babel project, see http://openbabel.org.
Open Babel is a chemical toolbox designed to speak the many languages
of chemical data. It's an open, collaborative project allowing anyone
to search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas. For
installation instructions, tutorials and examples, please visit the
`Open Babel website`_.
This package provides two Python modules that can be used to access the
functionality of the Open Babel toolkit:
- The `openbabel`_ module: A wrapper that is automatically generated using
the SWIG package and provides access to almost all of the Open Babel
interfaces via Python, including the base classes OBMol, OBAtom, OBBond,
and OBResidue, as well as the conversion framework OBConversion.
- The `pybel`_ module: A lightweight wrapper around the classes and methods
in the openbabel module. Pybel provides more convenient and Pythonic ways
to access the Open Babel toolkit.
For detailed installation instructions, API documentation and further information
on the Python bindings, see the `Python pages on the Open Babel website`_.
%package help
Summary: Development documents and examples for openbabel
Provides: python3-openbabel-doc
%description help
This is a Python interface to the Open Babel chemistry library. For the
main Open Babel project, see http://openbabel.org.
Open Babel is a chemical toolbox designed to speak the many languages
of chemical data. It's an open, collaborative project allowing anyone
to search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas. For
installation instructions, tutorials and examples, please visit the
`Open Babel website`_.
This package provides two Python modules that can be used to access the
functionality of the Open Babel toolkit:
- The `openbabel`_ module: A wrapper that is automatically generated using
the SWIG package and provides access to almost all of the Open Babel
interfaces via Python, including the base classes OBMol, OBAtom, OBBond,
and OBResidue, as well as the conversion framework OBConversion.
- The `pybel`_ module: A lightweight wrapper around the classes and methods
in the openbabel module. Pybel provides more convenient and Pythonic ways
to access the Open Babel toolkit.
For detailed installation instructions, API documentation and further information
on the Python bindings, see the `Python pages on the Open Babel website`_.
%prep
%autosetup -n openbabel-3.1.1.1
%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-openbabel -f filelist.lst
%dir %{python3_sitelib}/*
%files help -f doclist.lst
%{_docdir}/*
%changelog
* Fri Apr 07 2023 Python_Bot <Python_Bot@openeuler.org> - 3.1.1.1-1
- Package Spec generated
|
