pyiron-docker-stack
Here, one can find different flavours of Dockerfile for building pyiron docker images.
The resulting images are:
- from pyiron-base/Dockerfile, muhhassani/pyiron-base-image includes: pyiron_base
- from pyiron-atomistic/Dockerfile, muhhassani/pyiron-atomistic-image includes: pyiron, and nglview
- from pyiron-md/Dockerfile, muhhassani/pyiron-md-image includes:pyiron, nglview, and LAMMPS
- from pyiron-sphinxdft/Dockerfile, muhhassani/pyiron-sphinx-image includes: pyiron, nglview, and SPHInX
- from pyiron-dft/Dockerfile, muhhassani/pyiron-dft-image includes: pyiron, nglview, SPHInX and GPAW
- from pyiron/Dockerfile, muhhassani/pyiron-image includes: pyiron, nglview, LAMMPS, SPHInX and GPAW
The images also include some examplary notebooks.