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updated readme and tested usage guide
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eltrompetero committed Oct 27, 2022
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# Convenient Interface to Inverse Ising

ConIII is a Python package for solving maximum entropy problems with a focus on the
pairwise maximum entropy model, also known as the inverse Ising problem. Support for
Python 3.8.3 and higher.
pairwise maximum entropy model, also known as the inverse Ising problem.

If you use ConIII for your research, please consider citing the following:
> Lee, E.D. and Daniels, B.C., 2019. Convenient Interface to Inverse Ising (ConIII): A
Expand All @@ -16,25 +15,21 @@ The paper also contains an overview of the modules. For code documentation, see

## Installation

This package is available on PyPI. It can be installed by first installing the needed
Boost C++ libraries and using pip.
To set up an Anaconda environment called "test" and install from pip, run the following code. The openblas package is only recommended for AMD users.
```bash
$ conda install -c conda-forge boost==1.74
$ conda create -n test -c conda-forge python=3.10 numpy scipy numba cython jupyter ipython multiprocess boost==1.74 matplotlib mpmath blas=*=openblas
$ pip install coniii
```
If you have trouble using `pip`, then you can always build this package from
source. The following code will down download the latest release from GitHub and install
the package. Make sure that you are running Python 3.8.3 or higher and have boost v1.74.0
the package. Make sure that you are running Python 3.10 and have boost v1.74.0
installed.
```bash
$ git clone https://github.com/eltrompetero/coniii.git
$ cd coniii
$ ./pypi_compile.sh
$ pip install dist/*.whl
```
(Note: Using setuptools in the usual way of `python
setup.py install` will not work because eggs are incompatible with cached jit functions
generated using numba.)

#### Setting up exact solution for systems *N > 9*
If you would like to use the `Enumerate` solver for system sizes greater than 9 spins, you
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Once inside the install directory, you can run in your bash shell
```bash
$ python enumerate.py [N]
$ python enumerate.py [N] 1
```

where `[N]` should be replaced by the size of the system. This will write the equations
for the Ising model in the {0,1} basis. On the other hand,
where `[N]` should be replaced by the size of the system. This specifies that the system should be written for the {-1,1} basis. Note that the package uses the {-1,1} basis by default. For more details, see the `__main__` block at the end of the file enumerate.py.

For the {0,1} basis, use
```bash
$ python enumerate.py [N] 1
$ python enumerate.py [N]
```

specifies that the system should be written for the {-1,1} basis. Note that the package
uses the {-1,1} basis by default. For more details, see the `__main__` block at the end of
the file enumerate.py.

## Quick guide (with Jupyter notebook)
## Quick guide with Jupyter notebook

A [Jupyter
notebook](https://github.com/eltrompetero/coniii/blob/py3/ipynb/usage_guide.ipynb) with a
brief introduction and examples for how to use ConIII is available. An HTML version is
[here](https://github.com/eltrompetero/coniii/blob/py3/ipynb/usage_guide.html). The
notebook is installed into your package directory if you used pip.
brief introduction and examples for how to use ConIII is available. The
notebook is also installed into your package directory if you used pip.

To use the notebook, install jupyter.
```bash
$ pip install jupyter
```
or if you are using the Conda package manager
```bash
$ conda install jupyter
```

Then, first copy the notebook file "usage_guide.ipynb" into a directory outside the
"coniii" directory. Change to this directory and run
To use the notebook, install jupyter such as by following the setup instructions above. Then, copy the notebook file "usage_guide.ipynb" into a directory outside the "coniii" directory. Change to this directory and run
```bash
$ jupyter notebook
```

This should open the notebook in your default web browser.

## Quick guide (console)

First, install iPython for a console-based interpreter and start it.
```bash
$ pip install ipython
```
or if you are using the Conda package manager
```bash
$ conda install ipython
```

Then, first copy the notebook file
["usage_guide.py"](https://github.com/eltrompetero/coniii/blob/py3/ipynb/usage_guide.py)
into a directory outside the "coniii" directory. Change to this directory and run
```bash
$ ipython
```

Once inside the iPython interpreter, run
```python
>>> %run usage_guide.py
```
This will run all the examples sequentially, so you may want to comment out unwanted lines.

## Troubleshooting

This package is only maintained for Python 3 and has only been tested for Python
3.8.3. Check which version of Python you are running in your terminal with
3.10. Check which version of Python you are running in your terminal with
```bash
$ python --version
```

ConIII has been tested on the following systems
* Ubuntu 20.04.1
* Ubuntu 20.04.5

Trouble compiling the Boost extension manually? Check if your Boost library is
included in your path. If it is not, then you can add an include directory entry
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You may also need to install pytest.
```bash
$ pip install pytest
$ conda install -c conda-forge pytest
```

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