lmod-users

[Lmod-users] Set rpath in the intel parallel sudio cluster version's modulefile form comipling gpaw so that I can gpaw without using ` module load `.

[Hongyi Z. <hon...@gm...>]

Dear Dr. McLay,

The python version for my case if compiled using gcc and manged by
pyenv, while I want to install gpaw using intel parallel studio
cluster version and the gcc-compiled python.

The python virtualenv need to be loaded with pyenv command, and the
intel toolchain need to be loaded with module load.  This seems more
cumbersome when I want to use the ultimate compiled gpaw.  So I want
to use the following scheme: prepare a modulefile for  intel parallel
sudio cluster version where I set rpath with LDFLAGS, and using this
modulefile under the python virtualenv to compile the gpaw. In this
way, so that I can use the gpaw only by activate the python virtualenv
and without without using ` module load `.

Is this method possible?  Any considering that the toolchain settings
included in parallel sudio cluster is very complex, which entries
should I add to the modulefile for this purpose?

Regards
-- 
Hongyi Zhao <hon...@gm...>

Re: [Lmod-users] Set rpath in the intel parallel sudio cluster version's modulefile form comipling gpaw so that I can gpaw without using ` module load `.

[Robert M. <mc...@ta...>]

I am not familiar with the pyenv program, but it is clear that it works in
a similar way to Lmod.  That is changes the environment variables and
probably adding aliases or shell functions. Obviously, it would be easier
to use Lmod to do everything rather than trying to mix the two tools. If
you want to use both then it looks like a fun project.  The point is that
you'll want to run the pyenv command from inside a modulefile. You can do
this with the execute{} function.  The drawback to this is that I don't
know if it possible to reverse what the pyenv command does.  Also your
modulefiles are probably limited to being processed by shells and not by
perl, python, R, etc.

 A Lua modulefile that calls pyenv might look  like:

    if (myShellType() == "sh" or myShellType() == "csh") then
       execute{cmd="pyenv ...", modeA={"load"}}  --> Used for loading this
module
       execute{cmd="pyenv ...", modeA={"unload"}}  --> Only use if pyenv
can be told to reverse its actions on unload.
    end

Best,
Robert.





On Tue, Apr 28, 2020 at 7:12 AM Hongyi Zhao <hon...@gm...> wrote:

> Dear Dr. McLay,
>
> The python version for my case if compiled using gcc and manged by
> pyenv, while I want to install gpaw using intel parallel studio
> cluster version and the gcc-compiled python.
>
> The python virtualenv need to be loaded with pyenv command, and the
> intel toolchain need to be loaded with module load.  This seems more
> cumbersome when I want to use the ultimate compiled gpaw.  So I want
> to use the following scheme: prepare a modulefile for  intel parallel
> sudio cluster version where I set rpath with LDFLAGS, and using this
> modulefile under the python virtualenv to compile the gpaw. In this
> way, so that I can use the gpaw only by activate the python virtualenv
> and without without using ` module load `.
>
> Is this method possible?  Any considering that the toolchain settings
> included in parallel sudio cluster is very complex, which entries
> should I add to the modulefile for this purpose?
>
> Regards
> --
> Hongyi Zhao <hon...@gm...>
>
>
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> Lmod-users mailing list
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>

-- 
Robert McLay, Ph.D.
Manager of Software Tools, HPC
mc...@ta...