#15947: Gromacs update to v3.3.3 + variants ----------------------------+----------------------------------------------- Reporter: mlund@mac.com | Owner: macports-tickets@lists.macosforge.org Type: enhancement | Status: new Priority: Normal | Milestone: Port Updates Component: ports | Version: 1.6.0 Resolution: | Keywords: ----------------------------+----------------------------------------------- Comment (by mjhsieh@gmail.com): the port filename is confusing though. :-) -- Ticket URL: <http://trac.macports.org/ticket/15947#comment:1> MacPorts <http://www.macports.org/> Ports system for Mac OS

#15947: Gromacs update to v3.3.3 + variants ----------------------------+----------------------------------------------- Reporter: mlund@mac.com | Owner: macports-tickets@lists.macosforge.org Type: enhancement | Status: new Priority: Normal | Milestone: Port Updates Component: ports | Version: 1.6.0 Resolution: | Keywords: ----------------------------+----------------------------------------------- Comment (by mlund@mac.com): On powerpc, macports gcc 4.2 is now used to compile as this is the only way I was able to compile gromacs under ppc. For the time being the mpi variant is disabled due to incompatible combinations of lammpi, openmpi, ppc and intel. -- Ticket URL: <http://trac.macports.org/ticket/15947#comment:3> MacPorts <http://www.macports.org/> Ports system for Mac OS

#15947: Gromacs update to v3.3.3 + variants ----------------------------+----------------------------------------------- Reporter: mlund@mac.com | Owner: macports-tickets@lists.macosforge.org Type: enhancement | Status: new Priority: Normal | Milestone: Port Updates Component: ports | Version: 1.6.0 Resolution: | Keywords: ----------------------------+----------------------------------------------- Comment (by jmr@macports.org): Could you please separate the whitespace changes from the functional changes? -- Ticket URL: <http://trac.macports.org/ticket/15947#comment:5> MacPorts <http://www.macports.org/> Ports system for Mac OS

#15947: Gromacs update to v3.3.3 + variants ----------------------------+----------------------------------------------- Reporter: mlund@mac.com | Owner: macports-tickets@lists.macosforge.org Type: enhancement | Status: new Priority: Normal | Milestone: Port Updates Component: ports | Version: 1.6.0 Resolution: | Keywords: ----------------------------+----------------------------------------------- Changes (by macsforever2000@macports.org): * cc: macsforever2000@macports.org (added) Comment: AFAIK, it must be done manually. By the same token, since it's a small file, it won't be that hard to do ;). It's just hard to see what changes you made because it looks like everything has changed due to the (nice) spacing fixes. -- Ticket URL: <http://trac.macports.org/ticket/15947#comment:7> MacPorts <http://www.macports.org/> Ports system for Mac OS

#15947: Gromacs update to v3.3.3 + variants ----------------------------+----------------------------------------------- Reporter: mlund@mac.com | Owner: macports-tickets@lists.macosforge.org Type: enhancement | Status: new Priority: Normal | Milestone: Port Updates Component: ports | Version: 1.6.0 Resolution: | Keywords: Port: | ----------------------------+----------------------------------------------- Comment(by macsforever2000@macports.org): I ran it but it seems to conflict with mono: {{{ ---> Activating gromacs @3.3.3_0 Error: Target org.macports.activate returned: Image error: /opt/local/share/man/man1/disco.1.gz is being used by the active mono port. Please deactivate this port first, or use the -f flag to force the activation. Error: Status 1 encountered during processing. }}} -- Ticket URL: <http://trac.macports.org/ticket/15947#comment:9> MacPorts <http://www.macports.org/> Ports system for Mac OS

#15947: Gromacs update to v3.3.3 + variants ----------------------------+----------------------------------------------- Reporter: mlund@mac.com | Owner: macsforever2000@macports.org Type: enhancement | Status: new Priority: Normal | Milestone: Port Updates Component: ports | Version: 1.6.0 Resolution: | Keywords: Port: gromacs | ----------------------------+----------------------------------------------- Changes (by macsforever2000@macports.org): * cc: macsforever2000@macports.org (removed) * owner: macports-tickets@lists.macosforge.org => macsforever2000@macports.org * port: => gromacs -- Ticket URL: <http://trac.macports.org/ticket/15947#comment:11> MacPorts <http://www.macports.org/> Ports system for Mac OS

#15947: Gromacs update to v4.0 + variants ----------------------------+----------------------------------------------- Reporter: mlund@mac.com | Owner: macsforever2000@macports.org Type: enhancement | Status: closed Priority: Normal | Milestone: Port Updates Component: ports | Version: 1.6.0 Resolution: fixed | Keywords: Port: gromacs | ----------------------------+----------------------------------------------- -- Ticket URL: <http://trac.macports.org/ticket/15947#comment:13> MacPorts <http://www.macports.org/> Ports system for Mac OS

#15947: Gromacs update to v4.0 + variants ----------------------------+----------------------------------------------- Reporter: mlund@mac.com | Owner: macsforever2000@macports.org Type: enhancement | Status: closed Priority: Normal | Milestone: Port Updates Component: ports | Version: 1.6.0 Resolution: fixed | Keywords: Port: gromacs | ----------------------------+----------------------------------------------- Comment(by mlund@mac.com): It would be great if you could test on PPC/gcc 4.3. Gromacs 3.x does not compile with the Apple supplied gcc 4.0.1 on ppc, hence this work-around. Unfortunately I no longer have access to a PPC mac, so I can't test if this is also the case with Gromacs 4. Thanks / Mikael -- Ticket URL: <http://trac.macports.org/ticket/15947#comment:15> MacPorts <http://www.macports.org/> Ports system for Mac OS