docs(toolchain): 更新LibTorch版本注释并统一MLALGO支持描述

Author: QuantumMisaka

toolchain/toolchain_aocc-aocl.sh

@@ -39,7 +39,7 @@ WITH_RAPIDJSON="install"
 WITH_LIBRI="install"
 WITH_LIBCOMM="install"
 
-# Optional Features (DeepKS support)
+# Optional Features (MLALGO support)
 WITH_LIBTORCH="no"  # Set to "install" for DeepKS support
 WITH_LIBNPY="no"    # Set to "install" for DeepKS support
 WITH_NEP="no"
@@ -71,7 +71,9 @@ CMAKE_VERSION="main"        # main=3.31.7, alt=3.30.5
 OPENMPI_VERSION="main"      # main=5.0.8, alt=4.1.6
 ELPA_VERSION="main"         # main=2025.06.001, alt=2024.05.001
 LIBXC_VERSION="main"        # main=7.0.0, alt=6.2.2
+# Optional Libraries
 LIBTORCH_VERSION="main"     # main=2.1.2, alt=1.12.1 (use alt for older GLIBC)
+# Note: alt(1.12.1) version of LibTorch cannot support DeePMD-Torch for DPA
 
 # Note: AOCC-AOCL toolchain uses AOCL for math libraries (FFTW, ScaLAPACK)
 # so OpenBLAS and ScaLAPACK version selections are not applicable

toolchain/toolchain_gcc-aocl.sh

@@ -68,7 +68,9 @@ CMAKE_VERSION="main"        # main=3.31.7, alt=3.30.5
 OPENMPI_VERSION="main"      # main=5.0.8, alt=4.1.6
 ELPA_VERSION="main"         # main=2025.06.001, alt=2024.05.001
 LIBXC_VERSION="main"        # main=7.0.0, alt=6.2.2
+# Optional Libraries
 LIBTORCH_VERSION="main"     # main=2.1.2, alt=1.12.1 (use alt for older GLIBC)
+# Note: alt(1.12.1) version of LibTorch cannot support DeePMD-Torch for DPA
 
 # Note: GCC-AOCL toolchain uses AOCL for math libraries (FFTW, ScaLAPACK)
 # so OpenBLAS and ScaLAPACK version selections are not applicable

toolchain/toolchain_gnu.sh

@@ -72,6 +72,7 @@ LIBXC_VERSION="main"        # main=7.0.0, alt=6.2.2
 SCALAPACK_VERSION="main"    # main=2.2.2, alt=2.2.1
 # Optional Libraries
 LIBTORCH_VERSION="main"     # main=2.1.2, alt=1.12.1 (use alt for older GLIBC)
+# Note: alt(1.12.1) version of LibTorch cannot support DeePMD-Torch for DPA
 
 # ============================================================================
 # Execute Installation (DO NOT MODIFY BELOW THIS LINE)

toolchain/toolchain_intel.sh

@@ -87,7 +87,9 @@ INTELMPI_CLASSIC="no"   # Set to "yes" to use classic Intel MPI wrappers (mpiicc
 CMAKE_VERSION="main"        # main=3.31.7, alt=3.30.5
 ELPA_VERSION="alt"         # main=2025.06.001, alt=2024.05.001 for intel oneapi<2024.2
 LIBXC_VERSION="main"        # main=7.0.0, alt=6.2.2
+# Optional Libraries
 LIBTORCH_VERSION="main"     # main=2.1.2, alt=1.12.1 (use alt for older GLIBC)
+# Note: alt(1.12.1) version of LibTorch cannot support DeePMD-Torch for DPA
 
 # Note: Intel toolchain uses MKL for math libraries (FFTW, ScaLAPACK)
 # so OpenBLAS, FFTW, and ScaLAPACK version selections are not applicable