Rely on GPU pinning externally

cmake/CMakeLists.txt

@@ -302,6 +302,7 @@ set(STANDARD_PACKAGES
   MISC
   ML-HDNNP
   ML-IAP
+  ML-MACE
   ML-PACE
   ML-POD
   ML-QUIP
@@ -580,7 +581,7 @@ else()
 endif()
 
 foreach(PKG_WITH_INCL KSPACE PYTHON ML-IAP VORONOI COLVARS ML-HDNNP MDI MOLFILE NETCDF
-        PLUMED QMMM ML-QUIP SCAFACOS MACHDYN VTK KIM COMPRESS ML-PACE LEPTON RHEO)
+        PLUMED QMMM ML-QUIP SCAFACOS MACHDYN VTK KIM COMPRESS ML-PACE ML-MACE LEPTON RHEO)
   if(PKG_${PKG_WITH_INCL})
     include(Packages/${PKG_WITH_INCL})
   endif()

cmake/Modules/Packages/ML-MACE.cmake

@@ -0,0 +1,6 @@
+cmake_minimum_required(VERSION 3.0 FATAL_ERROR)
+
+find_package(Torch REQUIRED)
+set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${TORCH_CXX_FLAGS}")
+
+target_link_libraries(lammps PRIVATE "${TORCH_LIBRARIES}")