.wci.yml

name: pyiron

headline: A workflow manager for scientific computing on high performance computing infrastructures

description: "Originally developed for atomistic simulation in computational materials science, pyiron is more recently
  used as general purpose workflow manager for high performance computing (HPC) infrastructures. The core features of
  pyiron are (1) the data storage interface based on the hierarchical data format (HDF5), (2) support for python codes 
  as well as codes written in other programming languages like C, C++ and Fortran and finally (3) advanced utility 
  like map-reduce to efficiently prototype and upscale complex simulation protocols."

language: python

documentation:
  general: https://pyiron.readthedocs.io/
  installation: https://pyiron.readthedocs.io/en/latest/source/installation.html
  tutorial: https://pyiron.readthedocs.io/en/latest/source/examples.html

social:
  twitter: https://twitter.com/pyiron
  youtube: https://www.youtube.com/@pyironIDE

execution_environment:
  resource_managers:
    - slurm
    - lsf
    - moab
    - sge
    - torque
  transfer_protocols:
    - SSH