summaryrefslogtreecommitdiff
diff options
context:
space:
mode:
authorCoprDistGit <infra@openeuler.org>2023-05-05 13:42:56 +0000
committerCoprDistGit <infra@openeuler.org>2023-05-05 13:42:56 +0000
commit751b4ce0afaf6c599c4848f26184a76690713758 (patch)
tree55b99b87f8074eeb65e6c1e72bee57b274222f40
parentf41af1d3fa72b4a65d0c3fe819010b8d6476266d (diff)
automatic import of python-aarontoolsopeneuler20.03
-rw-r--r--.gitignore1
-rw-r--r--python-aarontools.spec140
-rw-r--r--sources1
3 files changed, 142 insertions, 0 deletions
diff --git a/.gitignore b/.gitignore
index e69de29..22c7a67 100644
--- a/.gitignore
+++ b/.gitignore
@@ -0,0 +1 @@
+/AaronTools-1.0b18.tar.gz
diff --git a/python-aarontools.spec b/python-aarontools.spec
new file mode 100644
index 0000000..acd47b6
--- /dev/null
+++ b/python-aarontools.spec
@@ -0,0 +1,140 @@
+%global _empty_manifest_terminate_build 0
+Name: python-AaronTools
+Version: 1.0b18
+Release: 1
+Summary: Tools for measuring and manipulating molecular structures
+License: GNU General Public License v3 (GPLv3)
+URL: https://github.com/QChASM/AaronTools.py
+Source0: https://mirrors.nju.edu.cn/pypi/web/packages/91/fb/099fc930d9aac8ddf437fe5752bc0b6e73cb4d71ac192a3b859d0610d50a/AaronTools-1.0b18.tar.gz
+BuildArch: noarch
+
+Requires: python3-numpy
+Requires: python3-scipy
+Requires: python3-pdfminer
+Requires: python3-jinja2
+Requires: python3-matplotlib
+
+%description
+<a href="https://badge.fury.io/py/AaronTools"><img src="https://badge.fury.io/py/AaronTools.svg" alt="PyPI version" height="18"></a>
+# AaronTools.py
+AaronTools provides a collection of tools for automating routine tasks encountered when running quantum chemistry computations.
+
+These tools can be used either directly within a Python script using AaronTools objects, or via a series of command-line scripts.
+
+See the <a href="https://github.com/QChASM/AaronTools.py/wiki">Wiki</a> for installation and usage.
+
+AaronTools is described in
+"QChASM: Quantum Chemistry Automation and Structure Manipulation" <a href="http://dx.doi.org/10.1002/wcms.1510" target="_blank"><i>WIREs Comp. Mol. Sci.</i> <b>11</b>, e1510 (2021)</a>.
+
+A Perl implementation of AaronTools is also <a href="https://github.com/QChASM/AaronTools">available here.</a>
+However, users are <em>strongly urged</em> to use the Python version since it has far more powerful features and, unlike the Perl version, will continue to be developed and supported.
+
+## Citation
+If you use the Python AaronTools, please cite:
+
+V. M. Ingman, A. J. Schaefer, L. R. Andreola, and S. E. Wheeler "QChASM: Quantum Chemistry Automation and Structure Manipulation" <a href="http://dx.doi.org/10.1002/wcms.1510" target="_blank"><i>WIREs Comp. Mol. Sci.</i> <b>11</b>, e1510 (2021)</a>
+
+## Contact
+If you have any questions or would like to discuss bugs or additional needed features, feel free to contact us at qchasm@uga.edu
+
+
+%package -n python3-AaronTools
+Summary: Tools for measuring and manipulating molecular structures
+Provides: python-AaronTools
+BuildRequires: python3-devel
+BuildRequires: python3-setuptools
+BuildRequires: python3-pip
+%description -n python3-AaronTools
+<a href="https://badge.fury.io/py/AaronTools"><img src="https://badge.fury.io/py/AaronTools.svg" alt="PyPI version" height="18"></a>
+# AaronTools.py
+AaronTools provides a collection of tools for automating routine tasks encountered when running quantum chemistry computations.
+
+These tools can be used either directly within a Python script using AaronTools objects, or via a series of command-line scripts.
+
+See the <a href="https://github.com/QChASM/AaronTools.py/wiki">Wiki</a> for installation and usage.
+
+AaronTools is described in
+"QChASM: Quantum Chemistry Automation and Structure Manipulation" <a href="http://dx.doi.org/10.1002/wcms.1510" target="_blank"><i>WIREs Comp. Mol. Sci.</i> <b>11</b>, e1510 (2021)</a>.
+
+A Perl implementation of AaronTools is also <a href="https://github.com/QChASM/AaronTools">available here.</a>
+However, users are <em>strongly urged</em> to use the Python version since it has far more powerful features and, unlike the Perl version, will continue to be developed and supported.
+
+## Citation
+If you use the Python AaronTools, please cite:
+
+V. M. Ingman, A. J. Schaefer, L. R. Andreola, and S. E. Wheeler "QChASM: Quantum Chemistry Automation and Structure Manipulation" <a href="http://dx.doi.org/10.1002/wcms.1510" target="_blank"><i>WIREs Comp. Mol. Sci.</i> <b>11</b>, e1510 (2021)</a>
+
+## Contact
+If you have any questions or would like to discuss bugs or additional needed features, feel free to contact us at qchasm@uga.edu
+
+
+%package help
+Summary: Development documents and examples for AaronTools
+Provides: python3-AaronTools-doc
+%description help
+<a href="https://badge.fury.io/py/AaronTools"><img src="https://badge.fury.io/py/AaronTools.svg" alt="PyPI version" height="18"></a>
+# AaronTools.py
+AaronTools provides a collection of tools for automating routine tasks encountered when running quantum chemistry computations.
+
+These tools can be used either directly within a Python script using AaronTools objects, or via a series of command-line scripts.
+
+See the <a href="https://github.com/QChASM/AaronTools.py/wiki">Wiki</a> for installation and usage.
+
+AaronTools is described in
+"QChASM: Quantum Chemistry Automation and Structure Manipulation" <a href="http://dx.doi.org/10.1002/wcms.1510" target="_blank"><i>WIREs Comp. Mol. Sci.</i> <b>11</b>, e1510 (2021)</a>.
+
+A Perl implementation of AaronTools is also <a href="https://github.com/QChASM/AaronTools">available here.</a>
+However, users are <em>strongly urged</em> to use the Python version since it has far more powerful features and, unlike the Perl version, will continue to be developed and supported.
+
+## Citation
+If you use the Python AaronTools, please cite:
+
+V. M. Ingman, A. J. Schaefer, L. R. Andreola, and S. E. Wheeler "QChASM: Quantum Chemistry Automation and Structure Manipulation" <a href="http://dx.doi.org/10.1002/wcms.1510" target="_blank"><i>WIREs Comp. Mol. Sci.</i> <b>11</b>, e1510 (2021)</a>
+
+## Contact
+If you have any questions or would like to discuss bugs or additional needed features, feel free to contact us at qchasm@uga.edu
+
+
+%prep
+%autosetup -n AaronTools-1.0b18
+
+%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-AaronTools -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Fri May 05 2023 Python_Bot <Python_Bot@openeuler.org> - 1.0b18-1
+- Package Spec generated
diff --git a/sources b/sources
new file mode 100644
index 0000000..77cdf0d
--- /dev/null
+++ b/sources
@@ -0,0 +1 @@
+5b028c097bb0aee603898209ef23e931 AaronTools-1.0b18.tar.gz