[MacPorts] #26994: New port: nMOLDYN
MacPorts
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Mon Oct 25 07:08:52 PDT 2010
#26994: New port: nMOLDYN
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Reporter: konrad.hinsen@… | Owner: macports-tickets@…
Type: submission | Status: new
Priority: Normal | Milestone:
Component: ports | Version: 1.9.1
Keywords: | Port:
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nMOLDYN is an analysis program for Molecular Dynamics trajectories that
calculates a wide range of quantities observable by spectroscopy (neutron,
NMR, infrared).
The Portfile and a patch to nMOLDYN's setup.py are attached. The patch
reduces the minimal required version of ScientificPython from 2.9 to 2.8,
which is available in MacPorts. This is safe because nMOLDYN requires 2.9
only on the Windows platform. (I am the author of ScientificPython and a
coauthor of nMOLDYN, so please trust me on this!)
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Ticket URL: <https://trac.macports.org/ticket/26994>
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