Installation¶
Trying pyscal¶
You can try some examples provided with pyscal using Binder without installing the package. Please use this link to try the package.
Supported operating systems¶
pyscal can be installed on both Linux and Mac OS based systems. For Windows systems, we recommend using Bash on Windows. Please check this tutorial on how to set up Bash on Windows.
Installation using conda¶
pyscal can be installed directly using Conda from the conda-forge channel by the following statement-
conda install -c conda-forge pyscal
This is the recommended way to install if you have an Anaconda distribution.
The above command installs the latest release version of pyscal.
pyscal is no longer maintained for Python 2.
Quick installation¶
pyscal can be installed using the following steps-
- Download an archive of the pyscal library from here.
- Extract the downloaded version. From the extracted folder, run,
python setup.py install --user
Tip
Pyscal can be installed system-wide using python setup.py install
.
Installation from the repository¶
pyscal can be built from the repository by-
git clone https://github.com/srmnitc/pyscal.git
cd pyscal
python setup.py install --user
Using a conda environment¶
pyscal can also be installed in a conda environment, making it easier to manage dependencies. A python3 Conda environment can be created by,
conda create -n myenv python=3
Once created, the environment can be activated using,
conda activate myenv
In case Cmake and C++11 are not available, these can be installed using,
(myenv) conda install -c anaconda gcc
(myenv) conda install -c anaconda cmake
Now the pyscal repository can be cloned and the module can be installed. Python dependencies are installed automatically.
(myenv) git clone https://github.com/srmnitc/pyscal.git
(myenv) cd pyscal
(myenv) python setup.py install
Tip
A good guide on managing Conda environments is available here.
Dependencies¶
Dependencies for the C++ part
- Cmake
- C++ 11
Dependencies for the python part
Optional dependencies
Tests¶
In order to see if the installation worked, the following commands can be tried-
import pyscal.core as pc
pc.test()
The above code does some minimal tests and gives a value of True
if pyscal was installed successfully. However, pyscal also contains automated tests which
use the pytest python library, which can be installed by pip install pytest
.
The tests can be run by executing the command pytest tests/
from the main code directory.
It is good idea to run the tests to check if everything is installed properly.