Opened 13 years ago
Closed 13 years ago
#26994 closed submission (fixed)
New port: nMOLDYN
| Reported by: | khinsen (Konrad Hinsen) | Owned by: | macports-tickets@… |
|---|---|---|---|
| Priority: | Normal | Milestone: | |
| Component: | ports | Version: | |
| Keywords: | Cc: | ||
| Port: | nMOLDYN |
Description
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!)
Attachments (2)
Change History (3)
Changed 13 years ago by khinsen (Konrad Hinsen)
| Attachment: | patch-setup.py.diff added |
|---|
Changed 13 years ago by khinsen (Konrad Hinsen)
comment:1 Changed 13 years ago by jmroot (Joshua Root)
| Port: | nMOLDYN added |
|---|---|
| Resolution: | → fixed |
| Status: | new → closed |
| Version: | 1.9.1 |
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New Portfile that takes into account the new Python package structure (with separate py26-tkinter)