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@@ -0,0 +1 @@ +/openbabel-3.1.1.1.tar.gz diff --git a/python-openbabel.spec b/python-openbabel.spec new file mode 100644 index 0000000..c60da90 --- /dev/null +++ b/python-openbabel.spec @@ -0,0 +1,125 @@ +%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 +%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 +* Sat Feb 25 2023 Python_Bot <Python_Bot@openeuler.org> - 3.1.1.1-1 +- Package Spec generated @@ -0,0 +1 @@ +b40bf6214e6cb1c3a33eac23594d9602 openbabel-3.1.1.1.tar.gz |