Metadata-Version: 2.4
Name: ase-taskblaster
Version: 0.1
Summary: Taskblaster plugin for ASE
Project-URL: documentation, https://taskblaster.gitlab.io/ase-taskblaster
Project-URL: repository, https://gitlab.com/taskblaster/ase-taskblaster.git
Project-URL: issues, https://gitlab.com/taskblaster/ase-taskblaster/issues
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Environment :: Console
Requires-Python: >=3.10
Description-Content-Type: text/x-rst
Requires-Dist: taskblaster
Requires-Dist: ase
Requires-Dist: myqueue
Provides-Extra: doc
Requires-Dist: sphinx; extra == "doc"
Requires-Dist: sphinx_book_theme; extra == "doc"
Requires-Dist: sphinx_click; extra == "doc"
Provides-Extra: dev
Requires-Dist: pytest; extra == "dev"

ase-taskblaster
===============

ase-taskblaster is a Taskblaster plugin for ASE (the Atomic Simulation
Environment).  If you want to write Taskblaster workflows with ASE,
this plugin will provide the convenient integration.

ase-taskblaster enables:

 * Optional MPI support with mpi4py or gpaw/asap-style communicators
 * Support for ASE JSON encoder for Taskblaster tasks

This project also provides documentation in the form of tutorials
for writing ASE/Taskblaster workflows.

To use ase-taskblaster, run:

  tb init asetaskblaster
