automatic import of python-component-contribution

3 files changed, 232 insertions, 0 deletions

diff --git a/.gitignore b/.gitignore
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+/component-contribution-0.4.4.tar.gz
diff --git a/python-component-contribution.spec b/python-component-contribution.spec
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+%global _empty_manifest_terminate_build 0
+Name:		python-component-contribution
+Version:	0.4.4
+Release:	1
+Summary:	Standard reaction Gibbs energy estimation for biochemical reactions.
+License:	MIT
+URL:		https://gitlab.com/equilibrator/component-contribution
+Source0:	https://mirrors.nju.edu.cn/pypi/web/packages/1c/d2/2ca078ef8799e059cb310efe208f2f49a6e24a5cc707c037313b3841e97e/component-contribution-0.4.4.tar.gz
+BuildArch:	noarch
+
+Requires:	python3-equilibrator-cache
+Requires:	python3-path
+Requires:	python3-periodictable
+Requires:	python3-uncertainties
+Requires:	python3-click
+Requires:	python3-click-log
+Requires:	python3-dateutil
+Requires:	python3-requests
+Requires:	python3-openbabel
+Requires:	python3-equilibrator-assets
+Requires:	python3-black
+Requires:	python3-isort
+Requires:	python3-tox
+Requires:	python3-twine
+Requires:	python3-pytest
+Requires:	python3-pytest-cov
+Requires:	python3-pytest-raises
+
+%description
+# Component Contribution
+
+[![pipeline status](https://gitlab.com/elad.noor/component-contribution/badges/develop/pipeline.svg)](https://gitlab.com/elad.noor/component-contribution/commits/develop)
+
+[![coverage report](https://gitlab.com/elad.noor/component-contribution/badges/develop/coverage.svg)](https://gitlab.com/elad.noor/component-contribution/commits/develop)
+
+[![Join the chat at https://gitter.im/equilibrator-devs/component-contribution](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/equilibrator-devs/component-contribution?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)
+
+A method for estimating the standard reaction Gibbs energy of biochemical reactions. 
+
+## Cite us
+
+For more information on the method behind component-contribution, please view our open
+access paper:
+
+Noor E, Haraldsdóttir HS, Milo R, Fleming RMT (2013)
+[Consistent Estimation of Gibbs Energy Using Component Contributions](http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1003098),
+PLoS Comput Biol 9:e1003098, DOI: 10.1371/journal.pcbi.1003098
+
+Please, cite this paper if you publish work that uses `component-contribution`.
+
+## Installation
+
+* `pip install component-contribution`
+
+## Dependencies
+
+* Python 3.6+
+* PyPI dependencies for prediction:
+  - equilibrator-cache
+  - numpy
+  - scipy
+  - pandas
+  - pint
+  - path
+  - periodictable
+  - uncertainties
+* PyPI dependencies for training a new model:
+  - openbabel
+  - equilibrator-assets
+
+## Data sources
+
+* [Training data for the component contribution method](https://zenodo.org/record/3978440)
+* [Chemical group definitions for the component-contribution method](https://zenodo.org/record/4010930)
+
+
+
+
+%package -n python3-component-contribution
+Summary:	Standard reaction Gibbs energy estimation for biochemical reactions.
+Provides:	python-component-contribution
+BuildRequires:	python3-devel
+BuildRequires:	python3-setuptools
+BuildRequires:	python3-pip
+%description -n python3-component-contribution
+# Component Contribution
+
+[![pipeline status](https://gitlab.com/elad.noor/component-contribution/badges/develop/pipeline.svg)](https://gitlab.com/elad.noor/component-contribution/commits/develop)
+
+[![coverage report](https://gitlab.com/elad.noor/component-contribution/badges/develop/coverage.svg)](https://gitlab.com/elad.noor/component-contribution/commits/develop)
+
+[![Join the chat at https://gitter.im/equilibrator-devs/component-contribution](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/equilibrator-devs/component-contribution?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)
+
+A method for estimating the standard reaction Gibbs energy of biochemical reactions. 
+
+## Cite us
+
+For more information on the method behind component-contribution, please view our open
+access paper:
+
+Noor E, Haraldsdóttir HS, Milo R, Fleming RMT (2013)
+[Consistent Estimation of Gibbs Energy Using Component Contributions](http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1003098),
+PLoS Comput Biol 9:e1003098, DOI: 10.1371/journal.pcbi.1003098
+
+Please, cite this paper if you publish work that uses `component-contribution`.
+
+## Installation
+
+* `pip install component-contribution`
+
+## Dependencies
+
+* Python 3.6+
+* PyPI dependencies for prediction:
+  - equilibrator-cache
+  - numpy
+  - scipy
+  - pandas
+  - pint
+  - path
+  - periodictable
+  - uncertainties
+* PyPI dependencies for training a new model:
+  - openbabel
+  - equilibrator-assets
+
+## Data sources
+
+* [Training data for the component contribution method](https://zenodo.org/record/3978440)
+* [Chemical group definitions for the component-contribution method](https://zenodo.org/record/4010930)
+
+
+
+
+%package help
+Summary:	Development documents and examples for component-contribution
+Provides:	python3-component-contribution-doc
+%description help
+# Component Contribution
+
+[![pipeline status](https://gitlab.com/elad.noor/component-contribution/badges/develop/pipeline.svg)](https://gitlab.com/elad.noor/component-contribution/commits/develop)
+
+[![coverage report](https://gitlab.com/elad.noor/component-contribution/badges/develop/coverage.svg)](https://gitlab.com/elad.noor/component-contribution/commits/develop)
+
+[![Join the chat at https://gitter.im/equilibrator-devs/component-contribution](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/equilibrator-devs/component-contribution?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)
+
+A method for estimating the standard reaction Gibbs energy of biochemical reactions. 
+
+## Cite us
+
+For more information on the method behind component-contribution, please view our open
+access paper:
+
+Noor E, Haraldsdóttir HS, Milo R, Fleming RMT (2013)
+[Consistent Estimation of Gibbs Energy Using Component Contributions](http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1003098),
+PLoS Comput Biol 9:e1003098, DOI: 10.1371/journal.pcbi.1003098
+
+Please, cite this paper if you publish work that uses `component-contribution`.
+
+## Installation
+
+* `pip install component-contribution`
+
+## Dependencies
+
+* Python 3.6+
+* PyPI dependencies for prediction:
+  - equilibrator-cache
+  - numpy
+  - scipy
+  - pandas
+  - pint
+  - path
+  - periodictable
+  - uncertainties
+* PyPI dependencies for training a new model:
+  - openbabel
+  - equilibrator-assets
+
+## Data sources
+
+* [Training data for the component contribution method](https://zenodo.org/record/3978440)
+* [Chemical group definitions for the component-contribution method](https://zenodo.org/record/4010930)
+
+
+
+
+%prep
+%autosetup -n component-contribution-0.4.4
+
+%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-component-contribution -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Wed May 17 2023 Python_Bot <Python_Bot@openeuler.org> - 0.4.4-1
+- Package Spec generated
diff --git a/sources b/sources
new file mode 100644
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+++ b/sources
@@ -0,0 +1 @@
+598d273251ef7293b4a1b22be7780003  component-contribution-0.4.4.tar.gz