[MacPorts] #72133: Request NWChem port
MacPorts
noreply at macports.org
Tue Mar 4 13:50:58 UTC 2025
#72133: Request NWChem port
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Reporter: isolated-matrix | Owner: (none)
Type: request | Status: new
Priority: Normal | Milestone:
Component: ports | Version:
Keywords: | Port:
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NWChem is an open source quantum chemistry calculation software suite
(https://nwchemgit.github.io/index.html), similar to GAMESS
(https://ports.macports.org/port/gamess/). Currently the only way to
install it for Mac is to use Homebrew, which I try to avoid as much as
possible... I was wondering if it would be possible to make a port for
NWChem to install via MacPorts? If so, setting the variables `export
MRCC_METHODS=TRUE` and `export CCSDTQ=TRUE` would be very useful in order
to include those methods.
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Ticket URL: <https://trac.macports.org/ticket/72133>
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