Richard Berger

**Summary** This PR allows the CMake documentation build to use an external Sphinx installation by disabling the automatic virtual environment generation. Adds an advanced option `BUILD_DOC_VENV` which defaults to `ON`....

**Summary** Some arrays in `compute reaxff/atom` were sized based on `nlocal` and parts of the code kept on using the old `nlocal` value even if current value was smaller, causing...

Add more GH actions

3

**Summary** PR exploring the addition of more GH actions to replace some of what takes place in Jenkins, as discussed during the developer meeting at SNL. - Documentation: [example build](https://github.com/rbberger/lammps/actions/runs/6765539235)...

Make extract_atom kokkos-aware

6

This is to document the discussion I had with Stan about the current state of `extract_atom` in the library interface and how it interacts with data that lives on device....

C++14/C++17 in LAMMPS

5

## Summary It's been 5 years since issue #1659 (2019), where we kept track of the C++11 transition for LAMMPS, and 4 years (2020) since C++11 was allowed in LAMMPS...

Allow using external elfutils

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Tried installing v1.8.0 by adding it to Spack, but on our systems it always fails during the internal (ExternalProject) elfutils build and missing gettext symbols. While installing elfutils via Spack...

cmake: add CMake language support for CUDA/HIP

5

Alternative to #2084

**Summary** Various changes to modernize Pizza and make it into a real Python package. Also add a first set of unittests. **Related Issue(s)** **Author(s)** Richard Berger (Temple U) @rbberger **Licensing**...

Add support for AMD target feature specifications in --offload-arch

1

Using [address sanitizer](https://rocm.docs.amd.com/en/latest/conceptual/using-gpu-sanitizer.html) for ROCm seems to require to explicitly set `xnack+` in the `--offload-arch` flag during compilation so that the necessary instrumentation is generated. > Explicitly use xnack+ in...