Installation
There are three ways to install pypka:
with pip. Preferred for Linux & Windows (with WSL) users.
with Docker.
with no installation, by using the online server at pypka.org. Recommended when only a few calculations are going to be performed.
Via pip
To install the latest stable release with pip do:
pip3 install pypka
Required Software
Pypka depends on the following software:
python2.6>= & python3.5>=
libgfortran4
gawk
These can all be installed via apt in Debian based systems:
apt install gawk gcc gfortran libgfortran4 python2
Via Docker
Run the following command on a local directory which contains the cli parameters file (<PARAMETERS_FILE>) and input structure:
docker run -v ${PWD}:/home/ -w /home -t pedrishi/pypka:latest python3.9 -m pypka <PARAMETERS_FILE>