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%global _empty_manifest_terminate_build 0
Name: python-abipy
Version: 0.9.3
Release: 1
Summary: Python package to automate ABINIT calculations and analyze the results.
License: GPL
URL: https://github.com/abinit/abipy
Source0: https://mirrors.nju.edu.cn/pypi/web/packages/cc/56/b230fcdb251fa2d8f57db5b73b1812aa1cfff62064359e78286c3134517a/abipy-0.9.3.tar.gz
BuildArch: noarch
Requires: python3-monty
Requires: python3-tabulate
Requires: python3-apscheduler
Requires: python3-pydispatcher
Requires: python3-tqdm
Requires: python3-pyyaml
Requires: python3-pandas
Requires: python3-numpy
Requires: python3-scipy
Requires: python3-spglib
Requires: python3-pymatgen
Requires: python3-netCDF4
Requires: python3-matplotlib
Requires: python3-seaborn
Requires: python3-plotly
Requires: python3-ipython
Requires: python3-chart-studio
%description
AbiPy is a Python library to analyze the results produced by `ABINIT <https://www.abinit.org>`_,
an open-source program for the ab-initio calculations of the physical properties of materials
within Density Functional Theory and Many-Body perturbation theory.
AbiPy also provides tools to generate input files and workflows to automate
ab-initio calculations and typical convergence studies.
AbiPy is interfaced with `Pymatgen <http://www.pymatgen.org>`_ allowing users to
benefit from the different tools and python objects available in the pymatgen ecosystem.
The official documentation is hosted on `github pages <http://abinit.github.io/abipy>`_.
AbiPy can be used in conjunction with `matplotlib <http://matplotlib.org>`_, `pandas <http://pandas.pydata.org>`_,
`ipython <https://ipython.org/index.html>`_ and `jupyter <http://jupyter.org/>`_
thus providing a powerful and user-friendly environment for data analysis and visualization.
Check out our `gallery of plotting scripts <http://abinit.github.io/abipy/gallery/index.html>`_
and the `gallery of AbiPy workflows <http://abinit.github.io/abipy/flow_gallery/index.html>`_.
To learn more about the integration between jupyter and AbiPy, visit our collection of `notebooks
<http://nbviewer.ipython.org/github/abinit/abipy/blob/master/abipy/examples/notebooks/index.ipynb>`_ and the
`AbiPy lessons <http://nbviewer.ipython.org/github/abinit/abipy/blob/master/abipy/examples/notebooks/lessons/index.ipynb>`_.
The latest development version is always available from <https://github.com/abinit/abipy>
%package -n python3-abipy
Summary: Python package to automate ABINIT calculations and analyze the results.
Provides: python-abipy
BuildRequires: python3-devel
BuildRequires: python3-setuptools
BuildRequires: python3-pip
%description -n python3-abipy
AbiPy is a Python library to analyze the results produced by `ABINIT <https://www.abinit.org>`_,
an open-source program for the ab-initio calculations of the physical properties of materials
within Density Functional Theory and Many-Body perturbation theory.
AbiPy also provides tools to generate input files and workflows to automate
ab-initio calculations and typical convergence studies.
AbiPy is interfaced with `Pymatgen <http://www.pymatgen.org>`_ allowing users to
benefit from the different tools and python objects available in the pymatgen ecosystem.
The official documentation is hosted on `github pages <http://abinit.github.io/abipy>`_.
AbiPy can be used in conjunction with `matplotlib <http://matplotlib.org>`_, `pandas <http://pandas.pydata.org>`_,
`ipython <https://ipython.org/index.html>`_ and `jupyter <http://jupyter.org/>`_
thus providing a powerful and user-friendly environment for data analysis and visualization.
Check out our `gallery of plotting scripts <http://abinit.github.io/abipy/gallery/index.html>`_
and the `gallery of AbiPy workflows <http://abinit.github.io/abipy/flow_gallery/index.html>`_.
To learn more about the integration between jupyter and AbiPy, visit our collection of `notebooks
<http://nbviewer.ipython.org/github/abinit/abipy/blob/master/abipy/examples/notebooks/index.ipynb>`_ and the
`AbiPy lessons <http://nbviewer.ipython.org/github/abinit/abipy/blob/master/abipy/examples/notebooks/lessons/index.ipynb>`_.
The latest development version is always available from <https://github.com/abinit/abipy>
%package help
Summary: Development documents and examples for abipy
Provides: python3-abipy-doc
%description help
AbiPy is a Python library to analyze the results produced by `ABINIT <https://www.abinit.org>`_,
an open-source program for the ab-initio calculations of the physical properties of materials
within Density Functional Theory and Many-Body perturbation theory.
AbiPy also provides tools to generate input files and workflows to automate
ab-initio calculations and typical convergence studies.
AbiPy is interfaced with `Pymatgen <http://www.pymatgen.org>`_ allowing users to
benefit from the different tools and python objects available in the pymatgen ecosystem.
The official documentation is hosted on `github pages <http://abinit.github.io/abipy>`_.
AbiPy can be used in conjunction with `matplotlib <http://matplotlib.org>`_, `pandas <http://pandas.pydata.org>`_,
`ipython <https://ipython.org/index.html>`_ and `jupyter <http://jupyter.org/>`_
thus providing a powerful and user-friendly environment for data analysis and visualization.
Check out our `gallery of plotting scripts <http://abinit.github.io/abipy/gallery/index.html>`_
and the `gallery of AbiPy workflows <http://abinit.github.io/abipy/flow_gallery/index.html>`_.
To learn more about the integration between jupyter and AbiPy, visit our collection of `notebooks
<http://nbviewer.ipython.org/github/abinit/abipy/blob/master/abipy/examples/notebooks/index.ipynb>`_ and the
`AbiPy lessons <http://nbviewer.ipython.org/github/abinit/abipy/blob/master/abipy/examples/notebooks/lessons/index.ipynb>`_.
The latest development version is always available from <https://github.com/abinit/abipy>
%prep
%autosetup -n abipy-0.9.3
%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-abipy -f filelist.lst
%dir %{python3_sitelib}/*
%files help -f doclist.lst
%{_docdir}/*
%changelog
* Wed May 31 2023 Python_Bot <Python_Bot@openeuler.org> - 0.9.3-1
- Package Spec generated
|
