PhreeqPy - Python Tools for PHREEQC¶
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, 3.4, 3.5, 3.6, 3.8, 3.7, 3.9 PyPy
Pythons (untested but should work since using ctypes): IronPython, Jython 2.7
Platforms: Unix/Posix and Windows
PyPI package name: phreeqpy
Installation with pip:
pip install -U phreeqpy
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.
There is no 64-bit Windows distributed with PhreeqPy.
Please install the Windows COM 64-bit module of IPhreeqc and use
phreeqpy.iphreeqc.phreeqc_com as phreeqc_mod instead of
import phreeqpy.iphreeqc.phreeqc_dll as phreeqc_mod as shown in the example.
If you use Anaconda or Miniconda make sure to:
conda install pywin32
before you install PhreeqPy.
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 = 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-packages/phreeqpy/iphreeqc/libiphreeqc.so.0.0.0
Benchmark Test Comparing PhreeqPy to External Processes, COM and C++¶
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.