Difference between revisions of "Group wish list"
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import>Csw34 |
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== build.csh script for [[GMIN]] (or make it global) == |
== build.csh script for [[GMIN]] (or make it global) == |
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| − | As for [[OPTIM]], it'd be great if we had a build.csh script that we could use to specify compiler, forcefield etc rather than having to mess with the Makefile each time someone uploads a new version to the svn repository. this needn't just be for GMIN but could be used for all software from the svn root i.e. |
+ | As for [[OPTIM]], it'd be great if we had a build.csh script that we could use to specify compiler, forcefield etc rather than having to mess with the Makefile each time someone uploads a new version to the svn repository. this needn't just be for [[GMIN]] but could be used for all software from the svn root i.e. |
build.csh in ~/svn would be able to (by command line option) |
build.csh in ~/svn would be able to (by command line option) |
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* allow choice of compiler (pgi,ifort,nag) |
* allow choice of compiler (pgi,ifort,nag) |
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* allow choice of optimisation level (for testing - it's good to be able to set O0) |
* allow choice of optimisation level (for testing - it's good to be able to set O0) |
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| − | * compile CHARMM if appropriate to include in say the GMIN build (this is only necessary for CHARMM and its compilation also requires a size specification i.e. small, medium, large) |
+ | * compile [[CHARMM]] if appropriate to include in say the [[GMIN]] build (this is only necessary for [[CHARMM]] and its compilation also requires a size specification i.e. small, medium, large) |
* clean everything |
* clean everything |
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| − | *probably more I've forgotten, see the OPTIM build.csh script for more! |
+ | *probably more I've forgotten, see the [[OPTIM]] build.csh script for more! |
Latest revision as of 13:48, 7 January 2009
build.csh script for GMIN (or make it global)
As for OPTIM, it'd be great if we had a build.csh script that we could use to specify compiler, forcefield etc rather than having to mess with the Makefile each time someone uploads a new version to the svn repository. this needn't just be for GMIN but could be used for all software from the svn root i.e.
build.csh in ~/svn would be able to (by command line option)
- compile either GMIN, OPTIM or PATHSAMPLE
- allow choice of compiler (pgi,ifort,nag)
- allow choice of optimisation level (for testing - it's good to be able to set O0)
- compile CHARMM if appropriate to include in say the GMIN build (this is only necessary for CHARMM and its compilation also requires a size specification i.e. small, medium, large)
- clean everything
- probably more I've forgotten, see the OPTIM build.csh script for more!