diff options
author | CoprDistGit <infra@openeuler.org> | 2023-05-31 03:38:46 +0000 |
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committer | CoprDistGit <infra@openeuler.org> | 2023-05-31 03:38:46 +0000 |
commit | 8d6af89e5327011b67371a106ae0b53ca60cdd73 (patch) | |
tree | bb98e3cf5c880bac83699165590f881f09e97dbd | |
parent | 9c63deb107ff8c5408256ae66efd7be8999c8cb6 (diff) |
automatic import of python-abipy
-rw-r--r-- | .gitignore | 1 | ||||
-rw-r--r-- | python-abipy.spec | 146 | ||||
-rw-r--r-- | sources | 1 |
3 files changed, 148 insertions, 0 deletions
@@ -0,0 +1 @@ +/abipy-0.9.3.tar.gz diff --git a/python-abipy.spec b/python-abipy.spec new file mode 100644 index 0000000..c1a8e38 --- /dev/null +++ b/python-abipy.spec @@ -0,0 +1,146 @@ +%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 @@ -0,0 +1 @@ +6b99eccc62ea65af736b8ef7ff721bc1 abipy-0.9.3.tar.gz |