Add installation instructions

stfc / janus

collection of scripts to train and generate data for machine learnt interatomic potentials

BSD 3-Clause "New" or "Revised" License

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Closed ElliottKasoar closed 1 year ago

ElliottKasoar commented 1 year ago

Resolves #4

Initial installation instructions. It may be useful to add:

[ ] Requirements e.g. BLAS, LAPACK, GSL, Eigen/Core, CMake
[ ] Quantum Espresso/CP2K installation instructions (although these are available as modules on SCARF)
[ ] General post-installation setup before notebooks can be used (separate PR?)