Initial changes to compile on AMD

[jglaser]

Description

Make HOOMD compile on AMD architectures with HIP

Compiles, but not yet functional

Motivation and context

Resolves #1101

How has this been tested?

Change log

Checklist:

• I have reviewed the Contributor Guidelines.
• I agree with the terms of the HOOMD-blue Contributor Agreement.
• My name is on the list of contributors (sphinx-doc/credits.rst) in the pull request source branch.

[b-butler]

There are many seemingly unrelated casts, as well as many places where code is commented rather than removed.

[jglaser]

There are many seemingly unrelated casts, as well as many places where code is commented rather than removed.

removed the obsolete commented code for now, which pertained to external library depencies such as hipsparse (for cusparse). Will have to see if unit tests complete for the distance constraint force in this case, and if not, we can add back any needed rocM dependencies later.

[github-actions]

This pull request has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs.

[jglaser]

Can this be merged? Do you need me to address any more comments?

[joaander]

Thanks Jens! I like the nice clean CMake code.

The OPLS unit test is failing. I hope my suggested change fixes the test. Aside from that, are there any updates needed to the documentation on HIP support?

[jglaser]

Thanks Jens! I like the nice clean CMake code.

The OPLS unit test is failing. I hope my suggested change fixes the test. Aside from that, are there any updates needed to the documentation on HIP support?

We might have to document/enforce the minimum CMake version for HIP language support (3.21).
https://cmake.org/cmake/help/latest/command/enable_language.html

And, only the MD module has been tested.

[joaander]

Thanks Jens! I like the nice clean CMake code.
The OPLS unit test is failing. I hope my suggested change fixes the test. Aside from that, are there any updates needed to the documentation on HIP support?

We might have to document/enforce the minimum CMake version for HIP language support (3.21). https://cmake.org/cmake/help/latest/command/enable_language.html

OK, let's do that. Does the ROCm minimum requirement also need updating?

And, only the MD module has been tested.

That's fine. This PR is just making the initial changes. We will do more testing in future work.

[joaander]

pre-commit.ci autofix

[joaander]

I added the CMake variable HOOMD_GPU_PLATFORM which lets the user choose between CUDA and HIP. Users may have HIP installed on a system but prefer to use the CUDA backend.

[joaander]

Thanks!

This is ready to merge with the final tweaks I made to the CMake scripts and documentation.

[b-butler]

Just left a couple comments.

[joaander]

@b-butler Do you approve?