Add special code to handle DeepMD extensions #98
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Luthaf
commented
Oct 6, 2025
| return libs_list[0] | ||
| deps_path += list(glob.glob(os.path.join(libs_dir, "libdeepmd_op_cuda.so"))) | ||
| deps_path += list(glob.glob(os.path.join(libs_dir, "libdeepmd_dyn_cudart.so"))) | ||
| # there is also a dependency on libmpi, but it is not distributed in the wheel |
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@frostedoyster I'm a bit worried about this, especially when trying to use a deepmd model with lammps. I'm not sure what happens if both are using a different MPI library.
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Perhaps we can mention, in the metatrain docs, the fact that LAMMPS should be used with the Python version that they distribute, if you want to use DeepMD-metatrain with LAMMPS
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but the lammps they distribute does not have pair_style metatomic
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frostedoyster
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Oct 22, 2025
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Will be required for metatensor/metatrain#725
Contributor (creator of pull-request) checklist
Tests updated (for new features and bugfixes)?Documentation updated (for new features)?Reviewer checklist