Runtime updates - Githubissues

derricottegroup / pyrex

Reaction Energy eXtension for ab-initio Quantum Chemistry.

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

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Runtime updates #3

Open dsirianni opened 1 year ago

dsirianni commented 1 year ago

Living PR for oversight on "runtime" updates for compatibility or setup etc. (no new features).

Current updates:

[x] Updates relative import statements to py >=3.7 in pyrex/*.py files
[x] Appends updated installation instructions to repo README
- [x] conda-based dependency installation instructions
- [x] pip-based package self-install, no manual setting of PATH & PYTHONPATH required

More will be added to the above if necessary.