This PR contributes force-bdss specific objects, including edm installation instructions, TravisCI configuration files, Sphinx documentation and DataSource subclasses that can be contributed as a plugin.
Change Log
Directory gromacs renamed to force_gromacs
Included .flake8, .travis.yml, .coveragerc configuration files
Updated to .gitignore to avoid FORCE specific project files
Included ci and doc directories
Included setup.py file for package installation to be visible by other applications (force-bdss and force-wfmanager)
Included GromacsPlugin class for contribution of force-bdss objects
Included force_gromacs/data_sources directory with MoleculeDataSource class
Included force_gromacs/notification_listeners directory with HPCWriter class
This PR contributes
force-bdss
specific objects, includingedm
installation instructions, TravisCI configuration files, Sphinx documentation andDataSource
subclasses that can be contributed as a plugin.Change Log
gromacs
renamed toforce_gromacs
.flake8
,.travis.yml
,.coveragerc
configuration files.gitignore
to avoid FORCE specific project filesci
anddoc
directoriessetup.py
file for package installation to be visible by other applications (force-bdss
andforce-wfmanager
)GromacsPlugin
class for contribution offorce-bdss
objectsforce_gromacs/data_sources
directory withMoleculeDataSource
classforce_gromacs/notification_listeners
directory withHPCWriter
class