docs(toolchain): modify and add comments for libtorch

Author: QuantumMisaka

toolchain/toolchain_aocc-aocl.sh

@@ -40,8 +40,8 @@ WITH_LIBRI="install"
 WITH_LIBCOMM="install"
 
 # Optional Features (MLALGO support)
-WITH_LIBTORCH="no"  # Set to "install" for DeepKS support
-WITH_LIBNPY="no"    # Set to "install" for DeepKS support
+WITH_LIBTORCH="no"
+WITH_LIBNPY="no"
 WITH_NEP="no"
 
 # AMD Compiler Options
@@ -73,6 +73,7 @@ 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: main(2.1.2) version of LibTorch need glibc > 2.27
 # 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)

toolchain/toolchain_gcc-aocl.sh

@@ -70,6 +70,7 @@ 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: main(2.1.2) version of LibTorch need glibc > 2.27
 # 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)

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: main(2.1.2) version of LibTorch need glibc > 2.27
 # Note: alt(1.12.1) version of LibTorch cannot support DeePMD-Torch for DPA
 
 # ============================================================================

toolchain/toolchain_intel.sh

@@ -89,6 +89,7 @@ ELPA_VERSION="alt"         # main=2025.06.001, alt=2024.05.001 for intel oneapi<
 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: main(2.1.2) version of LibTorch need glibc > 2.27
 # Note: alt(1.12.1) version of LibTorch cannot support DeePMD-Torch for DPA
 
 # Note: Intel toolchain uses MKL for math libraries (FFTW, ScaLAPACK)