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WIP: Trying something on LAMMPS and Spack#26

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christophernhill wants to merge 12 commits intomainfrom
cnh/lammps-spack
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WIP: Trying something on LAMMPS and Spack#26
christophernhill wants to merge 12 commits intomainfrom
cnh/lammps-spack

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@christophernhill
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@christophernhill christophernhill commented Oct 24, 2023

@shaohao99
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shaohao99 commented Nov 3, 2023

I think it may be good to create an individual page for configuring Spack, which is the first section of this page. The page of configuring Spack can be used for many other packages, such as openmpi, lammps, gromacs, etc.

On the pages for lammps, add a link to the page for configuring Spack.

I plan to add installing gromacs with Spack on my gromacs web page and also put the link to the page for configuring Spack on there.

Please let me know what you think.

@lmilechin
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I like the idea of having a separate page for configuring Spack, especially since it will be helpful for folks installing software available through Spack that we don't have a recipe for.

@shaohao99
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There is a typo. The spack spec install should be spack install in this line.

spack spec install lammps%gcc@12.2.0 fftw_precision=single +intel ~kim +asphere +class2 +kspace +manybody +molecule +opt +replica +rigid +granular +openmp-package +openmp ^openmpi

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