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|
%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
[](https://github.com/mvdh7/pytzer/blob/master/.misc/coverage.txt)
[](https://pypi.org/project/pytzer/)
[](https://doi.org/10.5281/zenodo.2637914)
[](https://pytzer.readthedocs.io/en/latest/)
[](https://www.gnu.org/licenses/gpl-3.0)
[](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
[](https://github.com/mvdh7/pytzer/blob/master/.misc/coverage.txt)
[](https://pypi.org/project/pytzer/)
[](https://doi.org/10.5281/zenodo.2637914)
[](https://pytzer.readthedocs.io/en/latest/)
[](https://www.gnu.org/licenses/gpl-3.0)
[](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
[](https://github.com/mvdh7/pytzer/blob/master/.misc/coverage.txt)
[](https://pypi.org/project/pytzer/)
[](https://doi.org/10.5281/zenodo.2637914)
[](https://pytzer.readthedocs.io/en/latest/)
[](https://www.gnu.org/licenses/gpl-3.0)
[](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
* Tue May 30 2023 Python_Bot <Python_Bot@openeuler.org> - 0.5.2-1
- Package Spec generated
|
