This registry is now depricated and will soon be archived. For any ACE related packages, please switch to the ACE registry.
A Julia Package Registry for packages related to molecular simulation.
To install open a Julia REPL and type
] registry add https://github.com/JuliaMolSim/MolSim.git
Afterwards use the normal package manager commands to add, remove, dev, etc the packages in this registry.
Both registering a new package or a new version uses
LocalRegistry
.
This needs to be installed first:
] add LocalRegistry
Suppose now that we want to register a new version of JuLIP.jl
:
] dev JuLIP
; we will assume this puts JuLIP
into ~/.julia/dev/JuLIP/
.Project.toml
, commit and push.MolSim
registry.
using LocalRegistry
using JuLIP
register(JuLIP, "MolSim")
This edits the registry files and commits the changes.
If the package has already been registered before (i.e. this is a version update),
then a simple register(<packagename>)
is sufficient.
cd ~/.julia/registries/MolSim
git push
v1.x
environment is incompatible with a package, and e.g. using IPFitting
will fail. In that case, one first activates the package's environment.