Python 3.5.2+ is need to run.
Package requirements include:
- NumPy 1.15+
- SciPy 1.1+
- Matplotlib 2.2+
- NetworkX 2.1+
Optional packages include:
- Cython (for compiling C and C++ extensions)
- PyTest (for running tests)
Note on Python Distribution/Environment¶
PECOS was developed using the Anaconda Distribution of Python. If you decide to use this distribution you may want to create an environment so that PECOS’s package requirements do not restrict you when working on other projects.
To create an environment for PECOS using Anaconda run:
>>> conda create -n pecos python=X numpy scipy matplotlib networkx # doctest: +SKIP
where X is whatever version of Python you wish to use with PECOS (e.g.,
Alternatively, if you clone/download the package (see next section) and navigate to the root, you can create an environment by running:
>>> conda env create -f conda_environment.yml # doctest: +SKIP
This will create the environment
pecos with the specific versions of Python and required packages that were used to
develop PECOS. Note, you will still need to install PECOS using one of the methods described in the following sections.
To activate/use the environment in Windows run the command:
>>> conda activate pecos # doctest: +SKIP
In other operating systems you may need to run the following instead:
>>> source activate pecos # doctest: +SKIP
To deactivate/leave the PECOS environment run:
>>> conda deactivate # doctest: +SKIP
Installing and Uninstalling¶
PECOS has been developed to run on both Windows and Linux-based systems.
To install using pip run:
>>> pip install quantum-pecos # doctest: +SKIP
Alternatively, the plackage can be cloned or downloaded from GitHub:
To clone PECOS using git run:
>>> git clone https://github.com/PECOS-packages/PECOS.git # doctest: +SKIP
Then, download/unzip or clone the version of PECOS you would like to use. Next, navigate to the root of the package (where setup.py is located) and run:
>>> pip install . # doctest: +SKIP
To install and continue to develop the version of PECOS located in the install folder, run:
>>> pip install -e . # doctest: +SKIP
To uninstall run:
>>> pip uninstall quantum-pecos # doctest: +SKIP
For the latest features, you may wish to clone/download the version of PECOS found in the development branch:
To clone using git run:
>>> git clone -b development https://github.com/PECOS-packages/PECOS.git # doctest: +SKIP
Be aware that as PECOS is in development in this branch, you may experience some bugs.
PECOS comes with tests to verify that the package is running as expected. These tests can be used in the development process to determine if any expected functionality has been broken.
To run tests, the package PyTest is require. Once installed, simply navigate to your PECOS installation directory and run:
>>> py.test # doctest: +SKIP
PyTest will automatically run all the PECOS’s tests and inform you of any failures.
The standard method for importing PECOS is:
import pecos as pc
It will be assumed throughout the documentation that PECOS has been imported in this manner.