PhreeqPy is Open Source software and provides Python tools to work with PHREEQC.
Currently it provides access to the new IPhreeqc interface without the need to run a COM server and therefore also works on non-Windows systems. IPhreeqc is described in more detail in this publication.
Pythons (tested): Python 2.6, 2.7, 3.3, PyPy
Pythons (untested but should work since using ctypes): IronPython, Jython 2.7
Platforms: Unix/Posix and Windows
PyPI package name: phreeqpy
1.) Installation options:
pip install -U phreeqpy # or easy_install -U phreeqpy
wget wget http://www.phreeqpy.com/download/phreeqpy-0.2.0.tar.gz tar -xzvf phreeqpy-0.2.0.tar.gz cd phreeqpy-0.2.0 sudo python setup install
You need an IPhreeqc shared libray for your operating system. PhreeqPy comes with shared libraries for 32-bit Windows, 32-bit Linux and 64-bit Mac OS X. More shared libraries for differnet platforms will come with following releases.
You may download an appropriate library from here: ftp://brrftp.cr.usgs.gov/pub/charlton/iphreeqc/
For example for Linux:
wget ftp://brrftp.cr.usgs.gov/pub/charlton/iphreeqc/iphreeqc-2.18.4-6386.tar.gz tar -xzvf iphreeqc-2.18.4-6386.tar.gz cd iphreeqc-2.18.4-6386 ./configure make make check sudo make install
Then either use the full path to the shared libray when making an instance of phreeqc_dll.IPhreeqc
phreeqc = phreeqpy.iphreeqc.phreeqc_dll.IPhreeqc('/full/path/to/libiphreeqc.so')
or copy the shared object into phreeqpy/iphreeqc replacing the existing one. For example:
sudo cp /usr/local/lib/libiphreeqc.so /path/to/site-pacges/PhreeqPy-0.2.0-py2.7.egg/phreeqpy/iphreeqc/libiphreeqc.so.0.0.0
This publication demonstrates how PhreeqPy can be used for reactive transport modeling.
Müller M., Parkhurst D.L., Charlton S.R. (2011) Programming PHREEQC Calculations with C++ and Python - A Comparative Study , In: Maxwell R., Poeter E., Hill M., Zheng C. (2011) MODFLOW and More 2011 - Integrated Hydrological Modeling, Proceedings, pp. 632 - 636.