diff --git a/README.md b/README.md index a21be83..c28e2b0 100644 --- a/README.md +++ b/README.md @@ -3,10 +3,9 @@ ![Tests](https://github.com/p-ortega/mf6rtm/actions/workflows/tests_macos.yml/badge.svg) ## Benchmarks -Benchmark comparing model results against PHT3d are in `benchmark/`. Each folder contains a Jupyter notebook to write and execute an MF6RTM model via the MUP3D class. Additionally, PHT3D files are provided in the corresponding `pht3d` directory. +Benchmark comparing model results against PHT3D are in `benchmark/`. Each folder contains a Jupyter notebook to write and execute an MF6RTM model via the MUP3D class. Additionally, PHT3D files are provided in the corresponding `pht3d` directory for each example. ## Considerations - The current version is intended to work with structured grids (dis object in MF6) and one MF6 simulation that includes the flow and transport solutions. No support is currently provided for a 'flow then transport scheme,' meaning that advanced packages cannot be incorporated yet. On the PHREEQC side, the following have been included: @@ -14,14 +13,29 @@ On the PHREEQC side, the following have been included: - Solution - Equilibrium phases - Cation Exchange +- Surface Complexation +- Kinetic Phases -Future updates will include kinetic phases and surface complexation, with their respective benchmarks. +Most options for each phreeqc block can be passed by adding list with options. However, not all options had been tested, so please create an issue if any option is not working or crashing the model. ## Software requirements -All dependencies and executables are included in this repo. To run this test, I recommend creating the environment by typing in conda +All dependencies and executables are included in this repo. The package is still not published in PyPi but it can be installed through pip by cloning the repository. + +## Installation +This is already included in the `env.yml` in this repository. Thus, if this repository is already cloned in your local machine, please just type the following in your conda prompt: ```commandline conda env create -f env.yml ``` + +Otherwise, the package can be installed through pip as: + +```commandline +pip install -e git+https://github.com/p-ortega/mf6rtm.git#egg=mf6rtm +``` + +## Funding +The developing of mf6rtm was kindly funded and supported by [Intera, Inc](https://www.intera.com). + ## Authors Pablo Ortega (Portega) \ No newline at end of file diff --git a/setup.cfg b/setup.cfg index 3b2d414..3bb9f0a 100644 --- a/setup.cfg +++ b/setup.cfg @@ -2,6 +2,7 @@ name = mf6rtm description = Reactive transport model through MODFLOW 6 and PHREEQCRM author = Pablo Ortega +author-email = portega@intera.com license = MIT license_file = LICENSE platforms = unix, linux, osx, cygwin, win32