%global _empty_manifest_terminate_build 0 Name: python-Pytzer Version: 0.5.2 Release: 1 Summary: Pitzer model for chemical activities in aqueous solutions License: GNU General Public License v3 (GPLv3) URL: https://github.com/mvdh7/pytzer Source0: https://mirrors.nju.edu.cn/pypi/web/packages/76/45/920ff23fd2f51046d8e94092e7ce2d47e8ab36394b4c83bba1b532083625/Pytzer-0.5.2.tar.gz BuildArch: noarch Requires: python3-numpy Requires: python3-scipy Requires: python3-pandas Requires: python3-jax Requires: python3-jaxlib Requires: python3-pint %description # Pytzer ![Tests](https://github.com/mvdh7/pytzer/workflows/Tests/badge.svg) [![Coverage](https://github.com/mvdh7/pytzer/blob/master/.misc/coverage.svg)](https://github.com/mvdh7/pytzer/blob/master/.misc/coverage.txt) [![pypi badge](https://img.shields.io/pypi/v/pytzer.svg?style=popout)](https://pypi.org/project/pytzer/) [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.2637914-informational)](https://doi.org/10.5281/zenodo.2637914) [![Docs](https://readthedocs.org/projects/pytzer/badge/?version=latest&style=flat)](https://pytzer.readthedocs.io/en/latest/) [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) [![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black) Pytzer is a Python implementation of the Pitzer model for chemical activities in aqueous solutions [[P91](https://pytzer.readthedocs.io/en/jax/refs/#p)] plus solvers to determine the equilibrium state of the system. **Pytzer is in beta! Use at your own peril.** - [Pytzer](#pytzer) - [Installation](#installation) - [For general use](#for-general-use) - [For development](#for-development) - [Documentation](#documentation) - [Citation](#citation) ## Installation Due to its dependency on [JAX](https://github.com/google/jax), Pytzer can only be installed on Unix systems, although it does work on Windows via [WSL](https://docs.microsoft.com/en-us/windows/wsl/). ### For general use Install with pip: pip install pytzer Note that you should also install the dependencies (especially NumPy) using pip, not conda, for best performance. This happens automatically with the above command if the dependencies are not already installed. Once installed, you will need to set the environment variable `JAX_ENABLE_X64=True`. For example, using conda: conda env config vars set JAX_ENABLE_X64=True ### For development Use the [environment.yml](https://github.com/mvdh7/pytzer/blob/master/environment.yml) file to create a new environment with Conda: conda env create -f environment.yml Then, fork and/or clone this repo to somewhere that your Python can see it. ## Documentation A work in progress at [pytzer.readthedocs.io](https://pytzer.readthedocs.io/en/latest/). ## Citation Pytzer is maintained by [Dr Matthew P. Humphreys](https://humphreys.science) at the [NIOZ Royal Netherlands Institute for Sea Research](https://www.nioz.nl/en) (Texel, the Netherlands). For now, the appropriate citation is: > Humphreys, Matthew P. and Schiller, Abigail J. (2021). Pytzer: the Pitzer model for chemical activities and equilibria in aqueous solutions in Python (beta). *Zenodo.* [doi:10.5281/zenodo.2637914](https://doi.org/10.5281/zenodo.2637914). Please report which version of Pytzer you are using. You can find this in Python with: ```python import pytzer as pz pz.hello() ``` %package -n python3-Pytzer Summary: Pitzer model for chemical activities in aqueous solutions Provides: python-Pytzer BuildRequires: python3-devel BuildRequires: python3-setuptools BuildRequires: python3-pip %description -n python3-Pytzer # Pytzer ![Tests](https://github.com/mvdh7/pytzer/workflows/Tests/badge.svg) [![Coverage](https://github.com/mvdh7/pytzer/blob/master/.misc/coverage.svg)](https://github.com/mvdh7/pytzer/blob/master/.misc/coverage.txt) [![pypi badge](https://img.shields.io/pypi/v/pytzer.svg?style=popout)](https://pypi.org/project/pytzer/) [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.2637914-informational)](https://doi.org/10.5281/zenodo.2637914) [![Docs](https://readthedocs.org/projects/pytzer/badge/?version=latest&style=flat)](https://pytzer.readthedocs.io/en/latest/) [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) [![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black) Pytzer is a Python implementation of the Pitzer model for chemical activities in aqueous solutions [[P91](https://pytzer.readthedocs.io/en/jax/refs/#p)] plus solvers to determine the equilibrium state of the system. **Pytzer is in beta! Use at your own peril.** - [Pytzer](#pytzer) - [Installation](#installation) - [For general use](#for-general-use) - [For development](#for-development) - [Documentation](#documentation) - [Citation](#citation) ## Installation Due to its dependency on [JAX](https://github.com/google/jax), Pytzer can only be installed on Unix systems, although it does work on Windows via [WSL](https://docs.microsoft.com/en-us/windows/wsl/). ### For general use Install with pip: pip install pytzer Note that you should also install the dependencies (especially NumPy) using pip, not conda, for best performance. This happens automatically with the above command if the dependencies are not already installed. Once installed, you will need to set the environment variable `JAX_ENABLE_X64=True`. For example, using conda: conda env config vars set JAX_ENABLE_X64=True ### For development Use the [environment.yml](https://github.com/mvdh7/pytzer/blob/master/environment.yml) file to create a new environment with Conda: conda env create -f environment.yml Then, fork and/or clone this repo to somewhere that your Python can see it. ## Documentation A work in progress at [pytzer.readthedocs.io](https://pytzer.readthedocs.io/en/latest/). ## Citation Pytzer is maintained by [Dr Matthew P. Humphreys](https://humphreys.science) at the [NIOZ Royal Netherlands Institute for Sea Research](https://www.nioz.nl/en) (Texel, the Netherlands). For now, the appropriate citation is: > Humphreys, Matthew P. and Schiller, Abigail J. (2021). Pytzer: the Pitzer model for chemical activities and equilibria in aqueous solutions in Python (beta). *Zenodo.* [doi:10.5281/zenodo.2637914](https://doi.org/10.5281/zenodo.2637914). Please report which version of Pytzer you are using. You can find this in Python with: ```python import pytzer as pz pz.hello() ``` %package help Summary: Development documents and examples for Pytzer Provides: python3-Pytzer-doc %description help # Pytzer ![Tests](https://github.com/mvdh7/pytzer/workflows/Tests/badge.svg) [![Coverage](https://github.com/mvdh7/pytzer/blob/master/.misc/coverage.svg)](https://github.com/mvdh7/pytzer/blob/master/.misc/coverage.txt) [![pypi badge](https://img.shields.io/pypi/v/pytzer.svg?style=popout)](https://pypi.org/project/pytzer/) [![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.2637914-informational)](https://doi.org/10.5281/zenodo.2637914) [![Docs](https://readthedocs.org/projects/pytzer/badge/?version=latest&style=flat)](https://pytzer.readthedocs.io/en/latest/) [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) [![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black) Pytzer is a Python implementation of the Pitzer model for chemical activities in aqueous solutions [[P91](https://pytzer.readthedocs.io/en/jax/refs/#p)] plus solvers to determine the equilibrium state of the system. **Pytzer is in beta! Use at your own peril.** - [Pytzer](#pytzer) - [Installation](#installation) - [For general use](#for-general-use) - [For development](#for-development) - [Documentation](#documentation) - [Citation](#citation) ## Installation Due to its dependency on [JAX](https://github.com/google/jax), Pytzer can only be installed on Unix systems, although it does work on Windows via [WSL](https://docs.microsoft.com/en-us/windows/wsl/). ### For general use Install with pip: pip install pytzer Note that you should also install the dependencies (especially NumPy) using pip, not conda, for best performance. This happens automatically with the above command if the dependencies are not already installed. Once installed, you will need to set the environment variable `JAX_ENABLE_X64=True`. For example, using conda: conda env config vars set JAX_ENABLE_X64=True ### For development Use the [environment.yml](https://github.com/mvdh7/pytzer/blob/master/environment.yml) file to create a new environment with Conda: conda env create -f environment.yml Then, fork and/or clone this repo to somewhere that your Python can see it. ## Documentation A work in progress at [pytzer.readthedocs.io](https://pytzer.readthedocs.io/en/latest/). ## Citation Pytzer is maintained by [Dr Matthew P. Humphreys](https://humphreys.science) at the [NIOZ Royal Netherlands Institute for Sea Research](https://www.nioz.nl/en) (Texel, the Netherlands). For now, the appropriate citation is: > Humphreys, Matthew P. and Schiller, Abigail J. (2021). Pytzer: the Pitzer model for chemical activities and equilibria in aqueous solutions in Python (beta). *Zenodo.* [doi:10.5281/zenodo.2637914](https://doi.org/10.5281/zenodo.2637914). Please report which version of Pytzer you are using. You can find this in Python with: ```python import pytzer as pz pz.hello() ``` %prep %autosetup -n Pytzer-0.5.2 %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-Pytzer -f filelist.lst %dir %{python3_sitelib}/* %files help -f doclist.lst %{_docdir}/* %changelog * Mon May 15 2023 Python_Bot - 0.5.2-1 - Package Spec generated