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authorCoprDistGit <infra@openeuler.org>2023-06-20 08:11:13 +0000
committerCoprDistGit <infra@openeuler.org>2023-06-20 08:11:13 +0000
commit7bab3b8a52e9e86e57b74212f967ae96ae791893 (patch)
tree77a2d8cefde0c6e3e7820f0cd171e4ae994f8905
parentd4048dc4efb6db5f90f7c880a9cbe1e471c8df6a (diff)
automatic import of python-aiida-raspaopeneuler20.03
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-rw-r--r--python-aiida-raspa.spec261
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+/aiida-raspa-1.2.0.tar.gz
diff --git a/python-aiida-raspa.spec b/python-aiida-raspa.spec
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+%global _empty_manifest_terminate_build 0
+Name: python-aiida-raspa
+Version: 1.2.0
+Release: 1
+Summary: AiiDA plugin for RASPA code
+License: MIT License
+URL: https://github.com/yakutovicha/aiida-raspa
+Source0: https://mirrors.aliyun.com/pypi/web/packages/a6/8c/7db83e509bab036aca07f6e60906fd6d5e72544f7fdafd3ff808394edda1/aiida-raspa-1.2.0.tar.gz
+BuildArch: noarch
+
+
+%description
+[![Build Status](https://travis-ci.org/yakutovicha/aiida-raspa.svg?branch=develop)](https://travis-ci.org/yakutovicha/aiida-raspa)
+[![Coverage Status](https://coveralls.io/repos/github/yakutovicha/aiida-raspa/badge.svg?branch=develop)](https://coveralls.io/github/yakutovicha/aiida-raspa?branch=develop)
+[![PyPI version](https://badge.fury.io/py/aiida-raspa.svg)](https://badge.fury.io/py/aiida-raspa)
+
+# AiiDA RASPA
+[AiiDA](http://www.aiida.net/) plugin for [RASPA2](https://github.com/iRASPA/RASPA2).
+
+Designed to work with with RASPA 2.0.37 or later.
+
+# Documentation
+The documentation for this package can be found on [Read the Docs](https://aiida-raspa.readthedocs.io/en/latest/).
+
+
+# Installation
+If you use ``pip``, you can install it as:
+```
+pip install aiida-raspa
+```
+
+If you want to install the plugin in an editable mode, run:
+```
+git clone https://github.com/yakutovicha/aiida-raspa
+cd aiida-raspa
+pip install -e . # Also installs aiida, if missing (but not postgres/rabbitmq).
+```
+
+In case the plugin does not appear in the output of `verdi plugin list aiida.calculations`,
+run `reentry scan` and try again.
+
+
+# Examples
+See `examples` folder for complete examples of setting up a calculation or a work chain.
+
+## Simple calculation
+```shell
+cd examples/simple_calculations
+verdi run example_base.py <code_label> --submit # Submit example calculation.
+verdi process list -a -p1 # Check status of calculation.
+```
+
+## Work chain
+```shell
+cd examples/workchains
+verdi run example_base_restart_timeout.py <code_label> # Submit test calculation.
+verdi process list -a -p1 # Check status of the work chain.
+```
+
+
+# License
+MIT
+
+# Contact
+yakutovicha@gmail.com
+
+
+# Acknowledgements
+This work is supported by:
+* the [MARVEL National Centre for Competency in Research](http://nccr-marvel.ch) funded by the [Swiss National Science Foundation](http://www.snf.ch/en);
+* the [MaX European Centre of Excellence](http://www.max-centre.eu/) funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598;
+* the [swissuniversities P-5 project "Materials Cloud"](https://www.materialscloud.org/swissuniversities).
+
+<img src="miscellaneous/logos/MARVEL.png" alt="MARVEL" style="padding:10px;" width="150"/>
+<img src="miscellaneous/logos/MaX.png" alt="MaX" style="padding:10px;" width="250"/>
+<img src="miscellaneous/logos/swissuniversities.png" alt="swissuniversities" style="padding:10px;" width="250"/>
+
+%package -n python3-aiida-raspa
+Summary: AiiDA plugin for RASPA code
+Provides: python-aiida-raspa
+BuildRequires: python3-devel
+BuildRequires: python3-setuptools
+BuildRequires: python3-pip
+%description -n python3-aiida-raspa
+[![Build Status](https://travis-ci.org/yakutovicha/aiida-raspa.svg?branch=develop)](https://travis-ci.org/yakutovicha/aiida-raspa)
+[![Coverage Status](https://coveralls.io/repos/github/yakutovicha/aiida-raspa/badge.svg?branch=develop)](https://coveralls.io/github/yakutovicha/aiida-raspa?branch=develop)
+[![PyPI version](https://badge.fury.io/py/aiida-raspa.svg)](https://badge.fury.io/py/aiida-raspa)
+
+# AiiDA RASPA
+[AiiDA](http://www.aiida.net/) plugin for [RASPA2](https://github.com/iRASPA/RASPA2).
+
+Designed to work with with RASPA 2.0.37 or later.
+
+# Documentation
+The documentation for this package can be found on [Read the Docs](https://aiida-raspa.readthedocs.io/en/latest/).
+
+
+# Installation
+If you use ``pip``, you can install it as:
+```
+pip install aiida-raspa
+```
+
+If you want to install the plugin in an editable mode, run:
+```
+git clone https://github.com/yakutovicha/aiida-raspa
+cd aiida-raspa
+pip install -e . # Also installs aiida, if missing (but not postgres/rabbitmq).
+```
+
+In case the plugin does not appear in the output of `verdi plugin list aiida.calculations`,
+run `reentry scan` and try again.
+
+
+# Examples
+See `examples` folder for complete examples of setting up a calculation or a work chain.
+
+## Simple calculation
+```shell
+cd examples/simple_calculations
+verdi run example_base.py <code_label> --submit # Submit example calculation.
+verdi process list -a -p1 # Check status of calculation.
+```
+
+## Work chain
+```shell
+cd examples/workchains
+verdi run example_base_restart_timeout.py <code_label> # Submit test calculation.
+verdi process list -a -p1 # Check status of the work chain.
+```
+
+
+# License
+MIT
+
+# Contact
+yakutovicha@gmail.com
+
+
+# Acknowledgements
+This work is supported by:
+* the [MARVEL National Centre for Competency in Research](http://nccr-marvel.ch) funded by the [Swiss National Science Foundation](http://www.snf.ch/en);
+* the [MaX European Centre of Excellence](http://www.max-centre.eu/) funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598;
+* the [swissuniversities P-5 project "Materials Cloud"](https://www.materialscloud.org/swissuniversities).
+
+<img src="miscellaneous/logos/MARVEL.png" alt="MARVEL" style="padding:10px;" width="150"/>
+<img src="miscellaneous/logos/MaX.png" alt="MaX" style="padding:10px;" width="250"/>
+<img src="miscellaneous/logos/swissuniversities.png" alt="swissuniversities" style="padding:10px;" width="250"/>
+
+%package help
+Summary: Development documents and examples for aiida-raspa
+Provides: python3-aiida-raspa-doc
+%description help
+[![Build Status](https://travis-ci.org/yakutovicha/aiida-raspa.svg?branch=develop)](https://travis-ci.org/yakutovicha/aiida-raspa)
+[![Coverage Status](https://coveralls.io/repos/github/yakutovicha/aiida-raspa/badge.svg?branch=develop)](https://coveralls.io/github/yakutovicha/aiida-raspa?branch=develop)
+[![PyPI version](https://badge.fury.io/py/aiida-raspa.svg)](https://badge.fury.io/py/aiida-raspa)
+
+# AiiDA RASPA
+[AiiDA](http://www.aiida.net/) plugin for [RASPA2](https://github.com/iRASPA/RASPA2).
+
+Designed to work with with RASPA 2.0.37 or later.
+
+# Documentation
+The documentation for this package can be found on [Read the Docs](https://aiida-raspa.readthedocs.io/en/latest/).
+
+
+# Installation
+If you use ``pip``, you can install it as:
+```
+pip install aiida-raspa
+```
+
+If you want to install the plugin in an editable mode, run:
+```
+git clone https://github.com/yakutovicha/aiida-raspa
+cd aiida-raspa
+pip install -e . # Also installs aiida, if missing (but not postgres/rabbitmq).
+```
+
+In case the plugin does not appear in the output of `verdi plugin list aiida.calculations`,
+run `reentry scan` and try again.
+
+
+# Examples
+See `examples` folder for complete examples of setting up a calculation or a work chain.
+
+## Simple calculation
+```shell
+cd examples/simple_calculations
+verdi run example_base.py <code_label> --submit # Submit example calculation.
+verdi process list -a -p1 # Check status of calculation.
+```
+
+## Work chain
+```shell
+cd examples/workchains
+verdi run example_base_restart_timeout.py <code_label> # Submit test calculation.
+verdi process list -a -p1 # Check status of the work chain.
+```
+
+
+# License
+MIT
+
+# Contact
+yakutovicha@gmail.com
+
+
+# Acknowledgements
+This work is supported by:
+* the [MARVEL National Centre for Competency in Research](http://nccr-marvel.ch) funded by the [Swiss National Science Foundation](http://www.snf.ch/en);
+* the [MaX European Centre of Excellence](http://www.max-centre.eu/) funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598;
+* the [swissuniversities P-5 project "Materials Cloud"](https://www.materialscloud.org/swissuniversities).
+
+<img src="miscellaneous/logos/MARVEL.png" alt="MARVEL" style="padding:10px;" width="150"/>
+<img src="miscellaneous/logos/MaX.png" alt="MaX" style="padding:10px;" width="250"/>
+<img src="miscellaneous/logos/swissuniversities.png" alt="swissuniversities" style="padding:10px;" width="250"/>
+
+%prep
+%autosetup -n aiida-raspa-1.2.0
+
+%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-aiida-raspa -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Tue Jun 20 2023 Python_Bot <Python_Bot@openeuler.org> - 1.2.0-1
+- Package Spec generated
diff --git a/sources b/sources
new file mode 100644
index 0000000..5813581
--- /dev/null
+++ b/sources
@@ -0,0 +1 @@
+846a64c0a3fff36bcfceab3883843a37 aiida-raspa-1.2.0.tar.gz