automatic import of python-aqorg

3 files changed, 131 insertions, 0 deletions

diff --git a/.gitignore b/.gitignore
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+/AqOrg-0.1.14.tar.gz
diff --git a/python-aqorg.spec b/python-aqorg.spec
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+%global _empty_manifest_terminate_build 0
+Name:		python-AqOrg
+Version:	0.1.14
+Release:	1
+Summary:	Estimate thermodynamic properties of aqueous organic compounds
+License:	MIT License
+URL:		https://pypi.org/project/AqOrg/
+Source0:	https://mirrors.nju.edu.cn/pypi/web/packages/b9/6a/771c7d4102dd95992069eceb2682cd6a7da63158be63f71b8791cadd80b6/AqOrg-0.1.14.tar.gz
+BuildArch:	noarch
+
+Requires:	python3-chemparse
+Requires:	python3-pubchempy
+Requires:	python3-sigfig
+Requires:	python3-pandas
+Requires:	python3-rdkit
+Requires:	python3-pgradd
+
+%description
+# AqOrg
+
+Estimate the thermodynamic properties and HKF parameters of aqueous organic molecules using second order group additivity methods.
+This [Jupyter notebook demo](https://gitlab.com/worm1/worm-library/-/blob/master/4-Thermodynamic-Property-Estimation/Introduction-Aq-Organic-Estimator.ipynb) introduces the underlying concepts.
+
+## Installation
+
+Install `AqOrg` with pip:
+
+```
+$ pip install AqOrg
+```
+
+## Usage
+
+See this [Jupyter notebook demo](https://gitlab.com/worm1/worm-library/-/blob/master/4-Thermodynamic-Property-Estimation/Aq-Organics-Feature-Demo/Aqueous-Organic-Molecules.ipynb) for examples.
+
+
+
+%package -n python3-AqOrg
+Summary:	Estimate thermodynamic properties of aqueous organic compounds
+Provides:	python-AqOrg
+BuildRequires:	python3-devel
+BuildRequires:	python3-setuptools
+BuildRequires:	python3-pip
+%description -n python3-AqOrg
+# AqOrg
+
+Estimate the thermodynamic properties and HKF parameters of aqueous organic molecules using second order group additivity methods.
+This [Jupyter notebook demo](https://gitlab.com/worm1/worm-library/-/blob/master/4-Thermodynamic-Property-Estimation/Introduction-Aq-Organic-Estimator.ipynb) introduces the underlying concepts.
+
+## Installation
+
+Install `AqOrg` with pip:
+
+```
+$ pip install AqOrg
+```
+
+## Usage
+
+See this [Jupyter notebook demo](https://gitlab.com/worm1/worm-library/-/blob/master/4-Thermodynamic-Property-Estimation/Aq-Organics-Feature-Demo/Aqueous-Organic-Molecules.ipynb) for examples.
+
+
+
+%package help
+Summary:	Development documents and examples for AqOrg
+Provides:	python3-AqOrg-doc
+%description help
+# AqOrg
+
+Estimate the thermodynamic properties and HKF parameters of aqueous organic molecules using second order group additivity methods.
+This [Jupyter notebook demo](https://gitlab.com/worm1/worm-library/-/blob/master/4-Thermodynamic-Property-Estimation/Introduction-Aq-Organic-Estimator.ipynb) introduces the underlying concepts.
+
+## Installation
+
+Install `AqOrg` with pip:
+
+```
+$ pip install AqOrg
+```
+
+## Usage
+
+See this [Jupyter notebook demo](https://gitlab.com/worm1/worm-library/-/blob/master/4-Thermodynamic-Property-Estimation/Aq-Organics-Feature-Demo/Aqueous-Organic-Molecules.ipynb) for examples.
+
+
+
+%prep
+%autosetup -n AqOrg-0.1.14
+
+%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-AqOrg -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Mon May 15 2023 Python_Bot <Python_Bot@openeuler.org> - 0.1.14-1
+- Package Spec generated
diff --git a/sources b/sources
new file mode 100644
index 0000000..6530c10
--- /dev/null
+++ b/sources
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+8cdb3698eaa15278455e598776852df3  AqOrg-0.1.14.tar.gz