%global _empty_manifest_terminate_build 0 Name: python-amici Version: 0.16.1 Release: 1 Summary: Advanced multi-language Interface to CVODES and IDAS License: BSD 3-Clause License URL: https://github.com/AMICI-dev/AMICI Source0: https://mirrors.nju.edu.cn/pypi/web/packages/a3/01/dda1b86559667af98c446493de359c119dc776128c43310d14a9200d0d56/amici-0.16.1.tar.gz BuildArch: noarch %description AMICI logo ## Advanced Multilanguage Interface for CVODES and IDAS ## About AMICI provides a multi-language (Python, C++, Matlab) interface for the [SUNDIALS](https://computing.llnl.gov/projects/sundials/) solvers [CVODES](https://computing.llnl.gov/projects/sundials/cvodes) (for ordinary differential equations) and [IDAS](https://computing.llnl.gov/projects/sundials/idas) (for algebraic differential equations). AMICI allows the user to read differential equation models specified as [SBML](http://sbml.org/) or [PySB](http://pysb.org/) and automatically compiles such models into Python modules, C++ libraries or Matlab `.mex` simulation files. In contrast to the (no longer maintained) [sundialsTB](https://computing.llnl.gov/projects/sundials/sundials-software) Matlab interface, all necessary functions are transformed into native C++ code, which allows for a significantly faster simulation. Beyond forward integration, the compiled simulation file also allows for forward sensitivity analysis, steady state sensitivity analysis and adjoint sensitivity analysis for likelihood-based output functions. The interface was designed to provide routines for efficient gradient computation in parameter estimation of biochemical reaction models, but it is also applicable to a wider range of differential equation constrained optimization problems. ## Current build status PyPI version PyPI installation Code coverage SonarCloud technical debt Zenodo DOI ReadTheDocs status coreinfrastructure bestpractices badge ## Features * SBML import * PySB import * Generation of C++ code for model simulation and sensitivity computation * Access to and high customizability of CVODES and IDAS solver * Python, C++, Matlab interface * Sensitivity analysis * forward * steady state * adjoint * first- and second-order * Pre-equilibration and pre-simulation conditions * Support for [discrete events and logical operations](https://academic.oup.com/bioinformatics/article/33/7/1049/2769435) ## Interfaces & workflow The AMICI workflow starts with importing a model from either [SBML](http://sbml.org/) (Matlab, Python), [PySB](http://pysb.org/) (Python), or a Matlab definition of the model (Matlab-only). From this input, all equations for model simulation are derived symbolically and C++ code is generated. This code is then compiled into a C++ library, a Python module, or a Matlab `.mex` file and is then used for model simulation. ![AMICI workflow](https://raw.githubusercontent.com/AMICI-dev/AMICI/master/documentation/gfx/amici_workflow.png) ## Getting started The AMICI source code is available at https://github.com/AMICI-dev/AMICI/. To install AMICI, first read the installation instructions for [Python](https://amici.readthedocs.io/en/latest/python_installation.html), [C++](https://amici.readthedocs.io/en/develop/cpp_installation.html) or [Matlab](https://amici.readthedocs.io/en/develop/matlab_installation.html). To get you started with Python-AMICI, the best way might be checking out this [Jupyter notebook](https://github.com/AMICI-dev/AMICI/blob/master/documentation/GettingStarted.ipynb) [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/AMICI-dev/AMICI/develop?labpath=documentation%2FGettingStarted.ipynb). To get started with Matlab-AMICI, various examples are available in [matlab/examples/](https://github.com/AMICI-dev/AMICI/tree/master/matlab/examples). Comprehensive documentation is available at [https://amici.readthedocs.io/en/latest/](https://amici.readthedocs.io/en/latest/). Any [contributions](https://amici.readthedocs.io/en/develop/CONTRIBUTING.html) to AMICI are welcome (code, bug reports, suggestions for improvements, ...). ## Getting help In case of questions or problems with using AMICI, feel free to post an [issue](https://github.com/AMICI-dev/AMICI/issues) on GitHub. We are trying to get back to you quickly. ## Projects using AMICI There are several tools for parameter estimation offering good integration with AMICI: * [pyPESTO](https://github.com/ICB-DCM/pyPESTO): Python library for optimization, sampling and uncertainty analysis * [pyABC](https://github.com/ICB-DCM/pyABC): Python library for parallel and scalable ABC-SMC (Approximate Bayesian Computation - Sequential Monte Carlo) * [parPE](https://github.com/ICB-DCM/parPE): C++ library for parameter estimation of ODE models offering distributed memory parallelism with focus on problems with many simulation conditions. ## Publications **Citeable DOI for the latest AMICI release:** [![DOI](https://zenodo.org/badge/43677177.svg)](https://zenodo.org/badge/latestdoi/43677177) There is a list of [publications using AMICI](https://amici.readthedocs.io/en/latest/references.html). If you used AMICI in your work, we are happy to include your project, please let us know via a GitHub issue. When using AMICI in your project, please cite * Fröhlich, F., Weindl, D., Schälte, Y., Pathirana, D., Paszkowski, Ł., Lines, G.T., Stapor, P. and Hasenauer, J., 2021. AMICI: High-Performance Sensitivity Analysis for Large Ordinary Differential Equation Models. Bioinformatics, btab227, [DOI:10.1093/bioinformatics/btab227](https://doi.org/10.1093/bioinformatics/btab227). ``` @article{frohlich2020amici, title={AMICI: High-Performance Sensitivity Analysis for Large Ordinary Differential Equation Models}, author={Fr{\"o}hlich, Fabian and Weindl, Daniel and Sch{\"a}lte, Yannik and Pathirana, Dilan and Paszkowski, {\L}ukasz and Lines, Glenn Terje and Stapor, Paul and Hasenauer, Jan}, journal = {Bioinformatics}, year = {2021}, month = {04}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btab227}, note = {btab227}, eprint = {https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btab227/36866220/btab227.pdf}, } ``` When presenting work that employs AMICI, feel free to use one of the icons in [documentation/gfx/](https://github.com/AMICI-dev/AMICI/tree/master/documentation/gfx), which are available under a [CC0](https://github.com/AMICI-dev/AMICI/tree/master/documentation/gfx/LICENSE.md) license:

AMICI Logo

%package -n python3-amici Summary: Advanced multi-language Interface to CVODES and IDAS Provides: python-amici BuildRequires: python3-devel BuildRequires: python3-setuptools BuildRequires: python3-pip %description -n python3-amici AMICI logo ## Advanced Multilanguage Interface for CVODES and IDAS ## About AMICI provides a multi-language (Python, C++, Matlab) interface for the [SUNDIALS](https://computing.llnl.gov/projects/sundials/) solvers [CVODES](https://computing.llnl.gov/projects/sundials/cvodes) (for ordinary differential equations) and [IDAS](https://computing.llnl.gov/projects/sundials/idas) (for algebraic differential equations). AMICI allows the user to read differential equation models specified as [SBML](http://sbml.org/) or [PySB](http://pysb.org/) and automatically compiles such models into Python modules, C++ libraries or Matlab `.mex` simulation files. In contrast to the (no longer maintained) [sundialsTB](https://computing.llnl.gov/projects/sundials/sundials-software) Matlab interface, all necessary functions are transformed into native C++ code, which allows for a significantly faster simulation. Beyond forward integration, the compiled simulation file also allows for forward sensitivity analysis, steady state sensitivity analysis and adjoint sensitivity analysis for likelihood-based output functions. The interface was designed to provide routines for efficient gradient computation in parameter estimation of biochemical reaction models, but it is also applicable to a wider range of differential equation constrained optimization problems. ## Current build status PyPI version PyPI installation Code coverage SonarCloud technical debt Zenodo DOI ReadTheDocs status coreinfrastructure bestpractices badge ## Features * SBML import * PySB import * Generation of C++ code for model simulation and sensitivity computation * Access to and high customizability of CVODES and IDAS solver * Python, C++, Matlab interface * Sensitivity analysis * forward * steady state * adjoint * first- and second-order * Pre-equilibration and pre-simulation conditions * Support for [discrete events and logical operations](https://academic.oup.com/bioinformatics/article/33/7/1049/2769435) ## Interfaces & workflow The AMICI workflow starts with importing a model from either [SBML](http://sbml.org/) (Matlab, Python), [PySB](http://pysb.org/) (Python), or a Matlab definition of the model (Matlab-only). From this input, all equations for model simulation are derived symbolically and C++ code is generated. This code is then compiled into a C++ library, a Python module, or a Matlab `.mex` file and is then used for model simulation. ![AMICI workflow](https://raw.githubusercontent.com/AMICI-dev/AMICI/master/documentation/gfx/amici_workflow.png) ## Getting started The AMICI source code is available at https://github.com/AMICI-dev/AMICI/. To install AMICI, first read the installation instructions for [Python](https://amici.readthedocs.io/en/latest/python_installation.html), [C++](https://amici.readthedocs.io/en/develop/cpp_installation.html) or [Matlab](https://amici.readthedocs.io/en/develop/matlab_installation.html). To get you started with Python-AMICI, the best way might be checking out this [Jupyter notebook](https://github.com/AMICI-dev/AMICI/blob/master/documentation/GettingStarted.ipynb) [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/AMICI-dev/AMICI/develop?labpath=documentation%2FGettingStarted.ipynb). To get started with Matlab-AMICI, various examples are available in [matlab/examples/](https://github.com/AMICI-dev/AMICI/tree/master/matlab/examples). Comprehensive documentation is available at [https://amici.readthedocs.io/en/latest/](https://amici.readthedocs.io/en/latest/). Any [contributions](https://amici.readthedocs.io/en/develop/CONTRIBUTING.html) to AMICI are welcome (code, bug reports, suggestions for improvements, ...). ## Getting help In case of questions or problems with using AMICI, feel free to post an [issue](https://github.com/AMICI-dev/AMICI/issues) on GitHub. We are trying to get back to you quickly. ## Projects using AMICI There are several tools for parameter estimation offering good integration with AMICI: * [pyPESTO](https://github.com/ICB-DCM/pyPESTO): Python library for optimization, sampling and uncertainty analysis * [pyABC](https://github.com/ICB-DCM/pyABC): Python library for parallel and scalable ABC-SMC (Approximate Bayesian Computation - Sequential Monte Carlo) * [parPE](https://github.com/ICB-DCM/parPE): C++ library for parameter estimation of ODE models offering distributed memory parallelism with focus on problems with many simulation conditions. ## Publications **Citeable DOI for the latest AMICI release:** [![DOI](https://zenodo.org/badge/43677177.svg)](https://zenodo.org/badge/latestdoi/43677177) There is a list of [publications using AMICI](https://amici.readthedocs.io/en/latest/references.html). If you used AMICI in your work, we are happy to include your project, please let us know via a GitHub issue. When using AMICI in your project, please cite * Fröhlich, F., Weindl, D., Schälte, Y., Pathirana, D., Paszkowski, Ł., Lines, G.T., Stapor, P. and Hasenauer, J., 2021. AMICI: High-Performance Sensitivity Analysis for Large Ordinary Differential Equation Models. Bioinformatics, btab227, [DOI:10.1093/bioinformatics/btab227](https://doi.org/10.1093/bioinformatics/btab227). ``` @article{frohlich2020amici, title={AMICI: High-Performance Sensitivity Analysis for Large Ordinary Differential Equation Models}, author={Fr{\"o}hlich, Fabian and Weindl, Daniel and Sch{\"a}lte, Yannik and Pathirana, Dilan and Paszkowski, {\L}ukasz and Lines, Glenn Terje and Stapor, Paul and Hasenauer, Jan}, journal = {Bioinformatics}, year = {2021}, month = {04}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btab227}, note = {btab227}, eprint = {https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btab227/36866220/btab227.pdf}, } ``` When presenting work that employs AMICI, feel free to use one of the icons in [documentation/gfx/](https://github.com/AMICI-dev/AMICI/tree/master/documentation/gfx), which are available under a [CC0](https://github.com/AMICI-dev/AMICI/tree/master/documentation/gfx/LICENSE.md) license:

AMICI Logo

%package help Summary: Development documents and examples for amici Provides: python3-amici-doc %description help AMICI logo ## Advanced Multilanguage Interface for CVODES and IDAS ## About AMICI provides a multi-language (Python, C++, Matlab) interface for the [SUNDIALS](https://computing.llnl.gov/projects/sundials/) solvers [CVODES](https://computing.llnl.gov/projects/sundials/cvodes) (for ordinary differential equations) and [IDAS](https://computing.llnl.gov/projects/sundials/idas) (for algebraic differential equations). AMICI allows the user to read differential equation models specified as [SBML](http://sbml.org/) or [PySB](http://pysb.org/) and automatically compiles such models into Python modules, C++ libraries or Matlab `.mex` simulation files. In contrast to the (no longer maintained) [sundialsTB](https://computing.llnl.gov/projects/sundials/sundials-software) Matlab interface, all necessary functions are transformed into native C++ code, which allows for a significantly faster simulation. Beyond forward integration, the compiled simulation file also allows for forward sensitivity analysis, steady state sensitivity analysis and adjoint sensitivity analysis for likelihood-based output functions. The interface was designed to provide routines for efficient gradient computation in parameter estimation of biochemical reaction models, but it is also applicable to a wider range of differential equation constrained optimization problems. ## Current build status PyPI version PyPI installation Code coverage SonarCloud technical debt Zenodo DOI ReadTheDocs status coreinfrastructure bestpractices badge ## Features * SBML import * PySB import * Generation of C++ code for model simulation and sensitivity computation * Access to and high customizability of CVODES and IDAS solver * Python, C++, Matlab interface * Sensitivity analysis * forward * steady state * adjoint * first- and second-order * Pre-equilibration and pre-simulation conditions * Support for [discrete events and logical operations](https://academic.oup.com/bioinformatics/article/33/7/1049/2769435) ## Interfaces & workflow The AMICI workflow starts with importing a model from either [SBML](http://sbml.org/) (Matlab, Python), [PySB](http://pysb.org/) (Python), or a Matlab definition of the model (Matlab-only). From this input, all equations for model simulation are derived symbolically and C++ code is generated. This code is then compiled into a C++ library, a Python module, or a Matlab `.mex` file and is then used for model simulation. ![AMICI workflow](https://raw.githubusercontent.com/AMICI-dev/AMICI/master/documentation/gfx/amici_workflow.png) ## Getting started The AMICI source code is available at https://github.com/AMICI-dev/AMICI/. To install AMICI, first read the installation instructions for [Python](https://amici.readthedocs.io/en/latest/python_installation.html), [C++](https://amici.readthedocs.io/en/develop/cpp_installation.html) or [Matlab](https://amici.readthedocs.io/en/develop/matlab_installation.html). To get you started with Python-AMICI, the best way might be checking out this [Jupyter notebook](https://github.com/AMICI-dev/AMICI/blob/master/documentation/GettingStarted.ipynb) [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/AMICI-dev/AMICI/develop?labpath=documentation%2FGettingStarted.ipynb). To get started with Matlab-AMICI, various examples are available in [matlab/examples/](https://github.com/AMICI-dev/AMICI/tree/master/matlab/examples). Comprehensive documentation is available at [https://amici.readthedocs.io/en/latest/](https://amici.readthedocs.io/en/latest/). Any [contributions](https://amici.readthedocs.io/en/develop/CONTRIBUTING.html) to AMICI are welcome (code, bug reports, suggestions for improvements, ...). ## Getting help In case of questions or problems with using AMICI, feel free to post an [issue](https://github.com/AMICI-dev/AMICI/issues) on GitHub. We are trying to get back to you quickly. ## Projects using AMICI There are several tools for parameter estimation offering good integration with AMICI: * [pyPESTO](https://github.com/ICB-DCM/pyPESTO): Python library for optimization, sampling and uncertainty analysis * [pyABC](https://github.com/ICB-DCM/pyABC): Python library for parallel and scalable ABC-SMC (Approximate Bayesian Computation - Sequential Monte Carlo) * [parPE](https://github.com/ICB-DCM/parPE): C++ library for parameter estimation of ODE models offering distributed memory parallelism with focus on problems with many simulation conditions. ## Publications **Citeable DOI for the latest AMICI release:** [![DOI](https://zenodo.org/badge/43677177.svg)](https://zenodo.org/badge/latestdoi/43677177) There is a list of [publications using AMICI](https://amici.readthedocs.io/en/latest/references.html). If you used AMICI in your work, we are happy to include your project, please let us know via a GitHub issue. When using AMICI in your project, please cite * Fröhlich, F., Weindl, D., Schälte, Y., Pathirana, D., Paszkowski, Ł., Lines, G.T., Stapor, P. and Hasenauer, J., 2021. AMICI: High-Performance Sensitivity Analysis for Large Ordinary Differential Equation Models. Bioinformatics, btab227, [DOI:10.1093/bioinformatics/btab227](https://doi.org/10.1093/bioinformatics/btab227). ``` @article{frohlich2020amici, title={AMICI: High-Performance Sensitivity Analysis for Large Ordinary Differential Equation Models}, author={Fr{\"o}hlich, Fabian and Weindl, Daniel and Sch{\"a}lte, Yannik and Pathirana, Dilan and Paszkowski, {\L}ukasz and Lines, Glenn Terje and Stapor, Paul and Hasenauer, Jan}, journal = {Bioinformatics}, year = {2021}, month = {04}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btab227}, note = {btab227}, eprint = {https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btab227/36866220/btab227.pdf}, } ``` When presenting work that employs AMICI, feel free to use one of the icons in [documentation/gfx/](https://github.com/AMICI-dev/AMICI/tree/master/documentation/gfx), which are available under a [CC0](https://github.com/AMICI-dev/AMICI/tree/master/documentation/gfx/LICENSE.md) license:

AMICI Logo

%prep %autosetup -n amici-0.16.1 %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-amici -f filelist.lst %dir %{python3_sitelib}/* %files help -f doclist.lst %{_docdir}/* %changelog * Fri May 05 2023 Python_Bot - 0.16.1-1 - Package Spec generated