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homebrew-multiwfn

A homebrew formula for Multiwfn.

You can install multiwfn with the following command. It can take quite a while to compile.

brew install --HEAD digital-chemistry-laboratory/multiwfn/multiwfn

To add OpenMP support, use instead

brew tap digital-chemistry-laboratory/multiwfn
brew install --HEAD multiwfn --with-openmp

To upgrade to the latest version, run brew upgrade multiwfn --fetch-HEAD

A copy of settings.ini is installed. To use it, set environment variable Multiwfnpath=${HOMEBREW_PREFIX}/etc/multiwfn. If you want to keep the config file between upgrades, copy it to for example ~/.config/multiwfn/ and point Multiwfnpath there instead.