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authorCoprDistGit <infra@openeuler.org>2023-05-18 04:18:57 +0000
committerCoprDistGit <infra@openeuler.org>2023-05-18 04:18:57 +0000
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+%global _empty_manifest_terminate_build 0
+Name: python-equilibrator-api
+Version: 0.4.7
+Release: 1
+Summary: Calculation of standard thermodynamic potentials of biochemical reactions.
+License: MIT
+URL: https://gitlab.com/equilibrator/equilibrator-api/
+Source0: https://mirrors.nju.edu.cn/pypi/web/packages/15/fc/4024b4ba267b0ca33fc065f080e15530bb55c6e029f26c3f63478b27b983/equilibrator-api-0.4.7.tar.gz
+BuildArch: noarch
+
+Requires: python3-pyparsing
+Requires: python3-slugify
+Requires: python3-equilibrator-cache
+Requires: python3-component-contribution
+Requires: python3-click
+Requires: python3-click-log
+Requires: python3-dateutil
+Requires: python3-requests
+Requires: python3-black
+Requires: python3-isort
+Requires: python3-safety
+Requires: python3-tox
+Requires: python3-twine
+Requires: python3-cobra
+Requires: python3-pytest
+Requires: python3-pytest-cov
+Requires: python3-pytest-raises
+Requires: python3-pytest-allclose
+Requires: python3-sbtab
+
+%description
+# eQuilibrator - a thermodynamics calculator for biochemical reactions
+
+[![PyPI version](https://badge.fury.io/py/equilibrator-api.svg)](https://badge.fury.io/py/equilibrator-api)
+[![Anaconda-Server Badge](https://anaconda.org/conda-forge/equilibrator-api/badges/version.svg)](https://anaconda.org/conda-forge/equilibrator-api)
+[![pipeline status](https://gitlab.com/elad.noor/equilibrator-api/badges/master/pipeline.svg)](https://gitlab.com/elad.noor/equilibrator-api/commits/master)
+[![coverage report](https://gitlab.com/elad.noor/equilibrator-api/badges/master/coverage.svg)](https://gitlab.com/elad.noor/equilibrator-api/commits/master)
+[![Join the chat at https://gitter.im/equilibrator-devs/equilibrator-api](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/equilibrator-devs/equilibrator-api?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)
+[![Documentation Status](https://readthedocs.org/projects/equilibrator/badge/?version=latest)](https://equilibrator.readthedocs.io/en/latest/?badge=latest)
+
+## What is `equilibrator-api`?
+
+`equilibrator-api` is a Python package for obtaining estimates of reactions Gibbs energies.
+It is mainly meant for biologists/bioengineers with basic programming skills that
+work on metabolism and want to easily add thermodynamic data to their models.
+
+The documentation is browseable online at
+[readthedocs](https://equilibrator.readthedocs.io/en/latest/index.html).
+
+If your list of reactions is very short, we recommend trying our
+website called [eQuilibrator](http://equilibrator.weizmann.ac.il/) before spending
+the time necessary for learning how to use `equilibrator-api`.
+
+The main advantages of `equilibrator-api` are:
+
+* Batch mode: can be used for large reaction datasets (even more than 1000 reactions)
+* Does not require a network connection (except during installation and initialization)
+* Works with standard compound identifiers (such as ChEBI, KEGG, BiGG and MetaNetX) for more than 500,000 compounds
+
+To access more advanced features, such as adding new compounds that are not
+among the 500,000 currently in the MetaNetX database, try using our
+[equilibrator-assets](https://gitlab.com/equilibrator/equilibrator-assets)
+package.
+
+## Cite us
+
+If you plan to use results from `equilibrator-api` in a scientific publication,
+please cite our 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
+
+## A very simple example
+
+Note that creating a `ComponentContribution` object for the first time after
+installation, starts an initialization step which downloads ~1.5 GBytes of data
+to your computer. It can take more than an hour (depending on the connection speed).
+Note that the initialization might not work inside a Jupyter notebook environment -
+in that case you should try running it in a standard python shell first and then
+run the Jupyter notebook.
+
+```python
+from equilibrator_api import ComponentContribution
+cc = ComponentContribution()
+rxn = cc.parse_reaction_formula("kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009")
+print(f"ΔG'0 = {cc.standard_dg_prime(rxn)}")
+```
+
+
+%package -n python3-equilibrator-api
+Summary: Calculation of standard thermodynamic potentials of biochemical reactions.
+Provides: python-equilibrator-api
+BuildRequires: python3-devel
+BuildRequires: python3-setuptools
+BuildRequires: python3-pip
+%description -n python3-equilibrator-api
+# eQuilibrator - a thermodynamics calculator for biochemical reactions
+
+[![PyPI version](https://badge.fury.io/py/equilibrator-api.svg)](https://badge.fury.io/py/equilibrator-api)
+[![Anaconda-Server Badge](https://anaconda.org/conda-forge/equilibrator-api/badges/version.svg)](https://anaconda.org/conda-forge/equilibrator-api)
+[![pipeline status](https://gitlab.com/elad.noor/equilibrator-api/badges/master/pipeline.svg)](https://gitlab.com/elad.noor/equilibrator-api/commits/master)
+[![coverage report](https://gitlab.com/elad.noor/equilibrator-api/badges/master/coverage.svg)](https://gitlab.com/elad.noor/equilibrator-api/commits/master)
+[![Join the chat at https://gitter.im/equilibrator-devs/equilibrator-api](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/equilibrator-devs/equilibrator-api?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)
+[![Documentation Status](https://readthedocs.org/projects/equilibrator/badge/?version=latest)](https://equilibrator.readthedocs.io/en/latest/?badge=latest)
+
+## What is `equilibrator-api`?
+
+`equilibrator-api` is a Python package for obtaining estimates of reactions Gibbs energies.
+It is mainly meant for biologists/bioengineers with basic programming skills that
+work on metabolism and want to easily add thermodynamic data to their models.
+
+The documentation is browseable online at
+[readthedocs](https://equilibrator.readthedocs.io/en/latest/index.html).
+
+If your list of reactions is very short, we recommend trying our
+website called [eQuilibrator](http://equilibrator.weizmann.ac.il/) before spending
+the time necessary for learning how to use `equilibrator-api`.
+
+The main advantages of `equilibrator-api` are:
+
+* Batch mode: can be used for large reaction datasets (even more than 1000 reactions)
+* Does not require a network connection (except during installation and initialization)
+* Works with standard compound identifiers (such as ChEBI, KEGG, BiGG and MetaNetX) for more than 500,000 compounds
+
+To access more advanced features, such as adding new compounds that are not
+among the 500,000 currently in the MetaNetX database, try using our
+[equilibrator-assets](https://gitlab.com/equilibrator/equilibrator-assets)
+package.
+
+## Cite us
+
+If you plan to use results from `equilibrator-api` in a scientific publication,
+please cite our 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
+
+## A very simple example
+
+Note that creating a `ComponentContribution` object for the first time after
+installation, starts an initialization step which downloads ~1.5 GBytes of data
+to your computer. It can take more than an hour (depending on the connection speed).
+Note that the initialization might not work inside a Jupyter notebook environment -
+in that case you should try running it in a standard python shell first and then
+run the Jupyter notebook.
+
+```python
+from equilibrator_api import ComponentContribution
+cc = ComponentContribution()
+rxn = cc.parse_reaction_formula("kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009")
+print(f"ΔG'0 = {cc.standard_dg_prime(rxn)}")
+```
+
+
+%package help
+Summary: Development documents and examples for equilibrator-api
+Provides: python3-equilibrator-api-doc
+%description help
+# eQuilibrator - a thermodynamics calculator for biochemical reactions
+
+[![PyPI version](https://badge.fury.io/py/equilibrator-api.svg)](https://badge.fury.io/py/equilibrator-api)
+[![Anaconda-Server Badge](https://anaconda.org/conda-forge/equilibrator-api/badges/version.svg)](https://anaconda.org/conda-forge/equilibrator-api)
+[![pipeline status](https://gitlab.com/elad.noor/equilibrator-api/badges/master/pipeline.svg)](https://gitlab.com/elad.noor/equilibrator-api/commits/master)
+[![coverage report](https://gitlab.com/elad.noor/equilibrator-api/badges/master/coverage.svg)](https://gitlab.com/elad.noor/equilibrator-api/commits/master)
+[![Join the chat at https://gitter.im/equilibrator-devs/equilibrator-api](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/equilibrator-devs/equilibrator-api?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)
+[![Documentation Status](https://readthedocs.org/projects/equilibrator/badge/?version=latest)](https://equilibrator.readthedocs.io/en/latest/?badge=latest)
+
+## What is `equilibrator-api`?
+
+`equilibrator-api` is a Python package for obtaining estimates of reactions Gibbs energies.
+It is mainly meant for biologists/bioengineers with basic programming skills that
+work on metabolism and want to easily add thermodynamic data to their models.
+
+The documentation is browseable online at
+[readthedocs](https://equilibrator.readthedocs.io/en/latest/index.html).
+
+If your list of reactions is very short, we recommend trying our
+website called [eQuilibrator](http://equilibrator.weizmann.ac.il/) before spending
+the time necessary for learning how to use `equilibrator-api`.
+
+The main advantages of `equilibrator-api` are:
+
+* Batch mode: can be used for large reaction datasets (even more than 1000 reactions)
+* Does not require a network connection (except during installation and initialization)
+* Works with standard compound identifiers (such as ChEBI, KEGG, BiGG and MetaNetX) for more than 500,000 compounds
+
+To access more advanced features, such as adding new compounds that are not
+among the 500,000 currently in the MetaNetX database, try using our
+[equilibrator-assets](https://gitlab.com/equilibrator/equilibrator-assets)
+package.
+
+## Cite us
+
+If you plan to use results from `equilibrator-api` in a scientific publication,
+please cite our 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
+
+## A very simple example
+
+Note that creating a `ComponentContribution` object for the first time after
+installation, starts an initialization step which downloads ~1.5 GBytes of data
+to your computer. It can take more than an hour (depending on the connection speed).
+Note that the initialization might not work inside a Jupyter notebook environment -
+in that case you should try running it in a standard python shell first and then
+run the Jupyter notebook.
+
+```python
+from equilibrator_api import ComponentContribution
+cc = ComponentContribution()
+rxn = cc.parse_reaction_formula("kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009")
+print(f"ΔG'0 = {cc.standard_dg_prime(rxn)}")
+```
+
+
+%prep
+%autosetup -n equilibrator-api-0.4.7
+
+%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-equilibrator-api -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Thu May 18 2023 Python_Bot <Python_Bot@openeuler.org> - 0.4.7-1
+- Package Spec generated