Simplify ASH setup - Githubissues

RagnarB83 / ash

ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.

GNU General Public License v2.0

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Simplify ASH setup #407

Closed RagnarB83 closed 10 months ago

RagnarB83 commented 10 months ago

Updated ASH-packages.sh
Deleted julia-packages-setup.jl
Added pytest as dependency in pyproject.toml