Skip to content

fix(lammps): register native-spin host pair style in plugin #6012

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Draft
LOGO127 wants to merge 3 commits into
base: master
Choose a base branch
from
Draft

fix(lammps): register native-spin host pair style in plugin #6012

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
0198c0f
fix(lammps): register native-spin host pair style in plugin
LOGO127 Sep 8, 2026
ab5b5a4
test(lammps): verify dpa4spin plugin provenance
LOGO127 Sep 16, 2026
f70f521
Merge branch 'master' into fix/register-native-spin-host
OutisLi Oct 15, 2026
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
9 changes: 9 additions & 0 deletions source/lmp/plugin/deepmdplugin.cpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@
#endif
#include "pair_deepmd.h"
#include "pair_deepspin.h"
#include "pair_dpa4spin.h"
#include "version.h"
#if LAMMPS_VERSION_NUMBER >= 20220328
#include "pppm_dplr.h"
Expand All @@ -22,6 +23,7 @@ using namespace LAMMPS_NS;

static Pair* pairdeepmd(LAMMPS* lmp) { return new PairDeepMD(lmp); }
static Pair* pairdeepspin(LAMMPS* lmp) { return new PairDeepSpin(lmp); }
static Pair* pairdpa4spin(LAMMPS* lmp) { return new PairDPA4Spin(lmp); }

#ifdef LMP_KOKKOS
// Runtime plugins do not consume the PairStyle declarations used by LAMMPS'
Expand Down Expand Up @@ -109,6 +111,13 @@ extern "C" void lammpsplugin_init(void* lmp, void* handle, void* regfunc) {
plugin.handle = handle;
(*register_plugin)(&plugin, lmp);

plugin.style = "pair";
plugin.name = "dpa4spin";
plugin.info = "dpa4spin pair style " STR_GIT_SUMM;
plugin.author = "Tiancheng Li";
plugin.creator.v1 = (lammpsplugin_factory1*)&pairdpa4spin;
(*register_plugin)(&plugin, lmp);

plugin.style = "compute";
plugin.name = "deeptensor/atom";
plugin.info = "compute deeptensor/atom " STR_GIT_SUMM;
Expand Down
26 changes: 26 additions & 0 deletions source/lmp/tests/test_lammps_dpa4spin_registration.py
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,26 @@
# SPDX-License-Identifier: LGPL-3.0-or-later
"""Native-spin host registration does not require a model artifact."""

import os

import pytest
from lammps import (
lammps,
)


def test_native_spin_host_style_is_registered() -> None:
"""The runtime plugin, rather than the host binary, must expose dpa4spin."""
plugin = os.environ.get("DEEPMD_TEST_PLUGIN")
if not plugin:
pytest.skip("DEEPMD_TEST_PLUGIN is required to validate plugin registration")

lmp = lammps(cmdargs=["-log", "none", "-screen", "none"])
try:
assert not lmp.has_style("pair", "dpa4spin"), (
"host LAMMPS already provides dpa4spin; plugin provenance is ambiguous"
)
lmp.command(f"plugin load {plugin}")
assert lmp.has_style("pair", "dpa4spin")
finally:
lmp.close()
Loading