automatic import of python-reinvent-scoring

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+/reinvent_scoring-0.0.73.tar.gz
diff --git a/python-reinvent-scoring.spec b/python-reinvent-scoring.spec
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+%global _empty_manifest_terminate_build 0
+Name:		python-reinvent-scoring
+Version:	0.0.73
+Release:	1
+Summary:	Scoring functions for Reinvent
+License:	MIT License
+URL:		https://github.com/MolecularAI/reinvent-scoring.git
+Source0:	https://mirrors.nju.edu.cn/pypi/web/packages/02/a0/a088deb12f3d80e57195f47ec1348c4d7a3563d2de0f471e916555008dca/reinvent_scoring-0.0.73.tar.gz
+BuildArch:	noarch
+
+
+%description
+# Introduction
+This package contains the scoring functions for REINVENT.
+
+# Installation
+To install in REINVENT's environment either install from repo or use `pip install reinvent-scoring` for the latest
+official release.
+
+# Developing
+## Setup environment
+You can use Conda to create an environment with all the necessary packages installed.
+
+```
+$ conda env create -f reinvent_scoring
+[...]
+$ conda activate reinvent_scoring
+```
+
+## Run tests
+The tests use the `unittest` package testing framework.  Before you can run the tests make sure that you have created a
+`config.json`file in the `reinvent_scoring/configs` directory.  There is an example config in the same directory, which 
+you can base your own config off of.  Make sure that you set `MAIN_TEST_PATH` to a non-existent directory; it is where 
+temporary files will be written during the tests; if it is set to an existing directory, that directory will be removed 
+once the tests have finished.
+
+Some tests require a proprietary OpenEye license; you have to set up a few things to make the tests read your
+license.  The simple way is to just set the `OE_LICENSE` environment variable to the path of the file containing the
+license.  If you just want to set the license in the `reinvent_scoring` Conda environment, it is a bit more complicated,
+but you only have to do it once.
+
+```
+(reinvent-scoring) $ cd $CONDA_PREFIX
+$ mkdir -p etc/conda/activate.d
+$ mkdir -p etc/conda/deactivate.d
+```
+
+Put the following in `etc/conda/activate.d/env_vars.sh`.
+
+```
+#!/bin/sh
+export OE_LICENSE='</path/to/your/oe_license/file>'
+```
+
+And put the following in `etc/conda/deactivate.d/env_vars.sh`.
+
+```
+#!/bin/sh
+unset OE_LICENSE
+```
+
+Once you have created the files, deactivate and re-activate the environment, and `echo $OE_LICENSE` should output the
+path to the license file.
+
+Once you have created a config file and configured your environment, you can run the tests, located in the 
+`unittest_reinvent` directory, by running
+
+```
+$ python main_test.py
+```
+
+# Building
+- Building: `python setup.py sdist bdist_wheel`
+- Upload build to test: `python -m twine upload --repository testpypi dist/*`
+- Upload build: `python -m twine upload dist/*`
+
+
+
+
+
+%package -n python3-reinvent-scoring
+Summary:	Scoring functions for Reinvent
+Provides:	python-reinvent-scoring
+BuildRequires:	python3-devel
+BuildRequires:	python3-setuptools
+BuildRequires:	python3-pip
+%description -n python3-reinvent-scoring
+# Introduction
+This package contains the scoring functions for REINVENT.
+
+# Installation
+To install in REINVENT's environment either install from repo or use `pip install reinvent-scoring` for the latest
+official release.
+
+# Developing
+## Setup environment
+You can use Conda to create an environment with all the necessary packages installed.
+
+```
+$ conda env create -f reinvent_scoring
+[...]
+$ conda activate reinvent_scoring
+```
+
+## Run tests
+The tests use the `unittest` package testing framework.  Before you can run the tests make sure that you have created a
+`config.json`file in the `reinvent_scoring/configs` directory.  There is an example config in the same directory, which 
+you can base your own config off of.  Make sure that you set `MAIN_TEST_PATH` to a non-existent directory; it is where 
+temporary files will be written during the tests; if it is set to an existing directory, that directory will be removed 
+once the tests have finished.
+
+Some tests require a proprietary OpenEye license; you have to set up a few things to make the tests read your
+license.  The simple way is to just set the `OE_LICENSE` environment variable to the path of the file containing the
+license.  If you just want to set the license in the `reinvent_scoring` Conda environment, it is a bit more complicated,
+but you only have to do it once.
+
+```
+(reinvent-scoring) $ cd $CONDA_PREFIX
+$ mkdir -p etc/conda/activate.d
+$ mkdir -p etc/conda/deactivate.d
+```
+
+Put the following in `etc/conda/activate.d/env_vars.sh`.
+
+```
+#!/bin/sh
+export OE_LICENSE='</path/to/your/oe_license/file>'
+```
+
+And put the following in `etc/conda/deactivate.d/env_vars.sh`.
+
+```
+#!/bin/sh
+unset OE_LICENSE
+```
+
+Once you have created the files, deactivate and re-activate the environment, and `echo $OE_LICENSE` should output the
+path to the license file.
+
+Once you have created a config file and configured your environment, you can run the tests, located in the 
+`unittest_reinvent` directory, by running
+
+```
+$ python main_test.py
+```
+
+# Building
+- Building: `python setup.py sdist bdist_wheel`
+- Upload build to test: `python -m twine upload --repository testpypi dist/*`
+- Upload build: `python -m twine upload dist/*`
+
+
+
+
+
+%package help
+Summary:	Development documents and examples for reinvent-scoring
+Provides:	python3-reinvent-scoring-doc
+%description help
+# Introduction
+This package contains the scoring functions for REINVENT.
+
+# Installation
+To install in REINVENT's environment either install from repo or use `pip install reinvent-scoring` for the latest
+official release.
+
+# Developing
+## Setup environment
+You can use Conda to create an environment with all the necessary packages installed.
+
+```
+$ conda env create -f reinvent_scoring
+[...]
+$ conda activate reinvent_scoring
+```
+
+## Run tests
+The tests use the `unittest` package testing framework.  Before you can run the tests make sure that you have created a
+`config.json`file in the `reinvent_scoring/configs` directory.  There is an example config in the same directory, which 
+you can base your own config off of.  Make sure that you set `MAIN_TEST_PATH` to a non-existent directory; it is where 
+temporary files will be written during the tests; if it is set to an existing directory, that directory will be removed 
+once the tests have finished.
+
+Some tests require a proprietary OpenEye license; you have to set up a few things to make the tests read your
+license.  The simple way is to just set the `OE_LICENSE` environment variable to the path of the file containing the
+license.  If you just want to set the license in the `reinvent_scoring` Conda environment, it is a bit more complicated,
+but you only have to do it once.
+
+```
+(reinvent-scoring) $ cd $CONDA_PREFIX
+$ mkdir -p etc/conda/activate.d
+$ mkdir -p etc/conda/deactivate.d
+```
+
+Put the following in `etc/conda/activate.d/env_vars.sh`.
+
+```
+#!/bin/sh
+export OE_LICENSE='</path/to/your/oe_license/file>'
+```
+
+And put the following in `etc/conda/deactivate.d/env_vars.sh`.
+
+```
+#!/bin/sh
+unset OE_LICENSE
+```
+
+Once you have created the files, deactivate and re-activate the environment, and `echo $OE_LICENSE` should output the
+path to the license file.
+
+Once you have created a config file and configured your environment, you can run the tests, located in the 
+`unittest_reinvent` directory, by running
+
+```
+$ python main_test.py
+```
+
+# Building
+- Building: `python setup.py sdist bdist_wheel`
+- Upload build to test: `python -m twine upload --repository testpypi dist/*`
+- Upload build: `python -m twine upload dist/*`
+
+
+
+
+
+%prep
+%autosetup -n reinvent-scoring-0.0.73
+
+%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-reinvent-scoring -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Thu May 18 2023 Python_Bot <Python_Bot@openeuler.org> - 0.0.73-1
+- Package Spec generated
diff --git a/sources b/sources
new file mode 100644
index 0000000..0d671e6
--- /dev/null
+++ b/sources
@@ -0,0 +1 @@
+bc87984ec460181ff7dddef537759c42  reinvent_scoring-0.0.73.tar.gz