Add build script for Improv at ANL LCRC

QMCPACK / qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

http://www.qmcpack.org

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Add build script for Improv at ANL LCRC #4994

Closed jtkrogel closed 1 month ago

jtkrogel commented 2 months ago

Proposed changes

Enable builds on Improv at ANL's LCRC

What type(s) of changes does this code introduce?

Documentation or build script changes

Does this introduce a breaking change?

What systems has this change been tested on?

Improv

Checklist

Yes. This PR is up to date with current the current state of 'develop'

jtkrogel commented 2 months ago

They do not have several of our needed dependencies available via module yet.

LCRC manages their system w/ Spack. The admins quickly built a module for QMCPACK via Spack and it was easiest for now just to use paths to the dependencies Spack built along the way.

I will continue to encourage them to make the dependencies available via modules.

jtkrogel commented 2 months ago

Comments addressed.

jtkrogel commented 1 month ago

The file has been renamed. No issues remaining.

prckent commented 1 month ago

Test this please