Checklist for making repo public

mosdef-hub / mosdef_slitpore

A variety of water and carbon slit-pore simulations

MIT License

4 stars 4 forks source link

Open rmatsum836 opened 4 years ago

rmatsum836 commented 4 years ago

A checklist of things to do before making this repository public:

[ ] Improve the documentation via the README which includes installation instructions, simulation details, an overview of each simulation step, etc.
[ ] Add a requirements.txt that allows a user to conda install or pip install dependencies for this package
[ ] Test instructions for installation using a fresh environment to ensure everything runs properly

rmatsum836 commented 4 years ago

[ ] Remove python imports that are machine-specific, such as Signac templates for HPCs.
[ ] New version release of mosdef cassandra that includes the angle_style PR.

rmatsum836 commented 4 years ago

Cassandra Signac project is exiting with error because of the Notre Dame cluster specific template.

rmatsum836 commented 4 years ago

Same with GROMACS, and LAMMPS signac projects