automatic import of python-biobb-structure-checkingopeneuler20.03

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+/biobb_structure_checking-3.13.0.tar.gz
diff --git a/python-biobb-structure-checking.spec b/python-biobb-structure-checking.spec
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+%global _empty_manifest_terminate_build 0
+Name:		python-biobb-structure-checking
+Version:	3.13.0
+Release:	1
+Summary:	BioBB_structure_checking performs MDWeb structure checking tool set as a command line utility.
+License:	Apache Software License
+URL:		https://github.com/bioexcel/biobb_structure_checking
+Source0:	https://mirrors.aliyun.com/pypi/web/packages/af/6b/580b883d738e617b7c12ae6eb5b02fc638be22b6abf67dc263927d48be6c/biobb_structure_checking-3.13.0.tar.gz
+BuildArch:	noarch
+
+Requires:	python3-psutil
+Requires:	python3-numpy
+Requires:	python3-biopython
+
+%description
+# biobb_structure_checking
+### Introduction
+Biobb_structure_checking provides a series of functions to check the quality of a 3D structure intended to facilitate the setup of a molecular dynamics simulation of protein or nucleic acids systems.
+
+Biobb_structure_checking package allows to configure the system (selection of model/chains,alternative location, addition of disulfide bonds and hydrogen atoms, side chain mutations), to detect and fix structure errors (missing side chain atoms, backbone breaks, amide assignments, incorrect chirality). It works with structures obtained from the Protein Data Bank or user provided.
+
+The Biobb_structure_checking package provides a command line utility ([check_structure](https://biobb-structure-checking.readthedocs.io/en/latest/command_line_usage.html)) and a python [API](https://biobb-structure-checking.readthedocs.io/en/latest/biobb_structure_checking.html).
+
+The latest documentation of this package can be found in our readthedocs site:
+[latest package documentation](http://biobb_structure_checking.readthedocs.io/en/latest/).
+
+### Version
+v3.13.0 June 2023
+
+### Requirements
+
+* Biopython
+### Optional requirements
+* psutil (required for --debug, included in conda pkg.)
+* Modeller (required for some functionalities, not included in conda pkg.)
+* jupyter & nglview (required for demonstration notebooks, not included in conda pkg.)
+
+### Installation
+Using PIP:
+
+> **Important:** PIP only installs the package. All the dependencies must be installed separately. To perform a complete installation, please use ANACONDA.
+
+* Installation:
+
+        pip install "biobb_structure_checking>=3.12.1"
+
+* Usage: [Python API documentation](https://biobb_structure_checking.readthedocs.io/en/latest/modules.html).
+
+Using ANACONDA:
+
+* Installation:
+
+        conda install -c bioconda "biobb_structure_checking>=3.12.1"
+
+* Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb_structure_checking.readthedocs.io/en/latest/modules.html) and the  [Command Line documentation](https://biobb_structure_checking.readthedocs.io/en/latest/command_line.html)
+
+### Copyright & Licensing
+This software has been developed in the MMB group (http://mmb.irbbarcelona.org) at the
+BSC (https://www.bsc.es/) & IRB (https://www.irbbarcelona.org/) for the European BioExcel (https://bioexcel.eu/), funded by the European Commission
+(EU H2020 [675728](https://cordis.europa.eu/projects/675728)).
+
+* (c) 2015-2022 [Barcelona Supercomputing Center](https://www.bsc.es/)
+* (c) 2015-2022 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)
+
+Licensed under the
+[GNU Lesser General Public License v2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html).
+
+![](https://bioexcel.eu/wp-content/uploads/2015/12/Bioexcell_logo_1080px_transp.png "Bioexcel")
+
+
+
+
+%package -n python3-biobb-structure-checking
+Summary:	BioBB_structure_checking performs MDWeb structure checking tool set as a command line utility.
+Provides:	python-biobb-structure-checking
+BuildRequires:	python3-devel
+BuildRequires:	python3-setuptools
+BuildRequires:	python3-pip
+%description -n python3-biobb-structure-checking
+# biobb_structure_checking
+### Introduction
+Biobb_structure_checking provides a series of functions to check the quality of a 3D structure intended to facilitate the setup of a molecular dynamics simulation of protein or nucleic acids systems.
+
+Biobb_structure_checking package allows to configure the system (selection of model/chains,alternative location, addition of disulfide bonds and hydrogen atoms, side chain mutations), to detect and fix structure errors (missing side chain atoms, backbone breaks, amide assignments, incorrect chirality). It works with structures obtained from the Protein Data Bank or user provided.
+
+The Biobb_structure_checking package provides a command line utility ([check_structure](https://biobb-structure-checking.readthedocs.io/en/latest/command_line_usage.html)) and a python [API](https://biobb-structure-checking.readthedocs.io/en/latest/biobb_structure_checking.html).
+
+The latest documentation of this package can be found in our readthedocs site:
+[latest package documentation](http://biobb_structure_checking.readthedocs.io/en/latest/).
+
+### Version
+v3.13.0 June 2023
+
+### Requirements
+
+* Biopython
+### Optional requirements
+* psutil (required for --debug, included in conda pkg.)
+* Modeller (required for some functionalities, not included in conda pkg.)
+* jupyter & nglview (required for demonstration notebooks, not included in conda pkg.)
+
+### Installation
+Using PIP:
+
+> **Important:** PIP only installs the package. All the dependencies must be installed separately. To perform a complete installation, please use ANACONDA.
+
+* Installation:
+
+        pip install "biobb_structure_checking>=3.12.1"
+
+* Usage: [Python API documentation](https://biobb_structure_checking.readthedocs.io/en/latest/modules.html).
+
+Using ANACONDA:
+
+* Installation:
+
+        conda install -c bioconda "biobb_structure_checking>=3.12.1"
+
+* Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb_structure_checking.readthedocs.io/en/latest/modules.html) and the  [Command Line documentation](https://biobb_structure_checking.readthedocs.io/en/latest/command_line.html)
+
+### Copyright & Licensing
+This software has been developed in the MMB group (http://mmb.irbbarcelona.org) at the
+BSC (https://www.bsc.es/) & IRB (https://www.irbbarcelona.org/) for the European BioExcel (https://bioexcel.eu/), funded by the European Commission
+(EU H2020 [675728](https://cordis.europa.eu/projects/675728)).
+
+* (c) 2015-2022 [Barcelona Supercomputing Center](https://www.bsc.es/)
+* (c) 2015-2022 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)
+
+Licensed under the
+[GNU Lesser General Public License v2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html).
+
+![](https://bioexcel.eu/wp-content/uploads/2015/12/Bioexcell_logo_1080px_transp.png "Bioexcel")
+
+
+
+
+%package help
+Summary:	Development documents and examples for biobb-structure-checking
+Provides:	python3-biobb-structure-checking-doc
+%description help
+# biobb_structure_checking
+### Introduction
+Biobb_structure_checking provides a series of functions to check the quality of a 3D structure intended to facilitate the setup of a molecular dynamics simulation of protein or nucleic acids systems.
+
+Biobb_structure_checking package allows to configure the system (selection of model/chains,alternative location, addition of disulfide bonds and hydrogen atoms, side chain mutations), to detect and fix structure errors (missing side chain atoms, backbone breaks, amide assignments, incorrect chirality). It works with structures obtained from the Protein Data Bank or user provided.
+
+The Biobb_structure_checking package provides a command line utility ([check_structure](https://biobb-structure-checking.readthedocs.io/en/latest/command_line_usage.html)) and a python [API](https://biobb-structure-checking.readthedocs.io/en/latest/biobb_structure_checking.html).
+
+The latest documentation of this package can be found in our readthedocs site:
+[latest package documentation](http://biobb_structure_checking.readthedocs.io/en/latest/).
+
+### Version
+v3.13.0 June 2023
+
+### Requirements
+
+* Biopython
+### Optional requirements
+* psutil (required for --debug, included in conda pkg.)
+* Modeller (required for some functionalities, not included in conda pkg.)
+* jupyter & nglview (required for demonstration notebooks, not included in conda pkg.)
+
+### Installation
+Using PIP:
+
+> **Important:** PIP only installs the package. All the dependencies must be installed separately. To perform a complete installation, please use ANACONDA.
+
+* Installation:
+
+        pip install "biobb_structure_checking>=3.12.1"
+
+* Usage: [Python API documentation](https://biobb_structure_checking.readthedocs.io/en/latest/modules.html).
+
+Using ANACONDA:
+
+* Installation:
+
+        conda install -c bioconda "biobb_structure_checking>=3.12.1"
+
+* Usage: With conda installation BioBBs can be used with the [Python API documentation](https://biobb_structure_checking.readthedocs.io/en/latest/modules.html) and the  [Command Line documentation](https://biobb_structure_checking.readthedocs.io/en/latest/command_line.html)
+
+### Copyright & Licensing
+This software has been developed in the MMB group (http://mmb.irbbarcelona.org) at the
+BSC (https://www.bsc.es/) & IRB (https://www.irbbarcelona.org/) for the European BioExcel (https://bioexcel.eu/), funded by the European Commission
+(EU H2020 [675728](https://cordis.europa.eu/projects/675728)).
+
+* (c) 2015-2022 [Barcelona Supercomputing Center](https://www.bsc.es/)
+* (c) 2015-2022 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)
+
+Licensed under the
+[GNU Lesser General Public License v2.1](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.html).
+
+![](https://bioexcel.eu/wp-content/uploads/2015/12/Bioexcell_logo_1080px_transp.png "Bioexcel")
+
+
+
+
+%prep
+%autosetup -n biobb_structure_checking-3.13.0
+
+%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-biobb-structure-checking -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Tue Jun 20 2023 Python_Bot <Python_Bot@openeuler.org> - 3.13.0-1
+- Package Spec generated
diff --git a/sources b/sources
new file mode 100644
index 0000000..66e7416
--- /dev/null
+++ b/sources
@@ -0,0 +1 @@
+0a193be56e8b1785efc5e7eb53fa9f2c  biobb_structure_checking-3.13.0.tar.gz