Opened 15 years ago

Closed 15 years ago

#22202 closed update (fixed)

update gromacs with gcc44 variant and forcefield patches

Reported by: adfernandes (Andrew Fernandes) Owned by: adfernandes (Andrew Fernandes)
Priority: Normal Milestone:
Component: ports Version: 1.8.1
Keywords: Cc:
Port: gromacs

Description

Added a variant to build with gcc44.

Patchfile fixes a typo in the .rtp file for forcefields ffG53a6 and ffG53a5 in Gromacs versions up to (and including) version 4.0.5. See ​http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/01_pdb2gmx.html for details.

Attachments (2)

ffG53aX_rtp.diff​ (648 bytes) - added by adfernandes (Andrew Fernandes) 15 years ago.
Portfile.diff​ (1.3 KB) - added by adfernandes (Andrew Fernandes) 15 years ago.

Download all attachments as: .zip

Change History (3)

Changed 15 years ago by adfernandes (Andrew Fernandes)

Attachment: ffG53aX_rtp.diff​ added

Changed 15 years ago by adfernandes (Andrew Fernandes)

Attachment: Portfile.diff​ added

comment:1 Changed 15 years ago by adfernandes (Andrew Fernandes)

Resolution: → fixed
Status: new → closed

Committed in r59792.

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