Add first working version. (idaholab#29661)

apptainer/moose-dev.def

@@ -29,8 +29,8 @@
 {%- set GPERF_DIR = '/opt/gperftools' -%}
 {#- The installation location for pprof                                                       -#}
 {%- set PPROF_DIR = '/opt/pprof' -%}
-{#- The installation location for libtorch                                                    -#}
-{%- set LIBTORCH_DEST = '/opt' -%}
+{#- We need this here because more than one block will use it
+{%- set MOOSE_PYTHON_VERSION = '3.11' -%}
 
 {#- The script used to install wasp                                                           -#}
 {%- set WASP_BUILD_SCRIPT = 'update_and_rebuild_wasp.sh' -%}
@@ -52,7 +52,7 @@ Fingerprints: 0CFFCAB55E806363601C442D211817B01E0911DB
 
 {%- if WITH_LIBTORCH %}
     # Make libtorch visible to moose
-    export LIBTORCH_DIR={{ LIBTORCH_DEST }}/libtorch
+    export LIBTORCH_DIR={{ MOOSE_MINIFORGE }}/lib/python{{ MOOSE_PYTHON_VERSION }}/site-packages/torch
     # Adding this to not get GPU initialization errors from MPICH
     export MPIR_CVAR_ENABLE_GPU=0
 {%- endif %}
@@ -81,7 +81,8 @@ Fingerprints: 0CFFCAB55E806363601C442D211817B01E0911DB
 
     # Pinned versions
     MINIFORGE_VERSION=23.3.1-1
-    PYTHON_VERSION=3.11
+    PYTHON_VERSION={{ MOOSE_PYTHON_VERSION }}
+    echo $PYTHON_VERSION
     CODE_SERVER_VERSION=4.92.2
 
     # Install code-server
@@ -141,42 +142,44 @@ Fingerprints: 0CFFCAB55E806363601C442D211817B01E0911DB
 
 {%- if WITH_LIBTORCH %}
     # Libtorch-related vars
-    LIBTORCH_DEST={{ LIBTORCH_DEST }}
-    LIBTORCH_VER=2.1.0
+    LIBTORCH_VER=2.3.0
     LIBTORCH_DISTRIBUTION={{ WITH_LIBTORCH }}
 
+    # Clone pytorch
     cd ${ROOT_BUILD_DIR}
-    TORCH_SRC_DIR=${ROOT_BUILD_DIR}/pytorch
+    git clone -b v${LIBTORCH_VER} --recursive https://github.com/pytorch/pytorch
+    cd pytorch
 
-    conda install -yq python=${PYTHON_VERSION} "numpy<2.0" astunparse expecttest hypothesis types-dataclasses typing-extensions filelock networkx fsspec mkl-static mkl-include
+    # Install the python requirements
+    pip install -r requirements.txt
 
-    git clone -b v${LIBTORCH_VER} --recursive https://github.com/pytorch/pytorch "${TORCH_SRC_DIR}"
-    cd ${TORCH_SRC_DIR}
+    # Below a certain version we need to downgrade our numpy
+    if { echo ${LIBTORCH_VER}; echo "2.2.0"; } | sort --version-sort --check=quiet; then
+      conda install -yq "numpy<2.0"
+    fi
 
+    # Fetch the patch that enables the successful compilation on this linux distro
     curl -L https://github.com/pytorch/pytorch/pull/99468.patch > 99468.patch
     git apply 99468.patch
 
-   export CFLAGS+=" -Wno-error=maybe-uninitialized -Wno-error=uninitialized -Wno-error=restrict"
-   export CXXFLAGS+=" -Wno-error=maybe-uninitialized -Wno-error=uninitialized -Wno-error=restrict"
-   export CMAKE_PREFIX_PATH="${CONDA_PREFIX:-'$(dirname $(which conda))/../'}:${CMAKE_PREFIX_PATH}"
-   MAX_JOBS=${MOOSE_JOBS} python setup.py install
-
-#    cd test
-#    python run_test.py
-
-#    # Install libtorch from a precompiled package
-#    ${ROOT_BUILD_DIR}/setup_libtorch.sh --version=${LIBTORCH_VER} --libtorch-dest=${LIBTORCH_DEST} --libtorch-distribution=${LIBTORCH_DISTRIBUTION} --cleanup
-
-# {%- if WITH_LIBTORCH.startswith('cu') %}
-#     # We install CUDA Toolkit if the user wants cuda-based libtorch.
-#     # Right now this assumes that cuda-based distributions start with -cu-
-#         dnf -y install epel-release
-#         CUDA_RPM=${BUILD_DIR}/cuda.rpm
-#         curl -L https://developer.download.nvidia.com/compute/cuda/11.4.0/local_installers/cuda-repo-rhel8-11-4-local-11.4.0_470.42.01-1.x86_64.rpm -o ${CUDA_RPM}
-#         rpm -i ${CUDA_RPM}
-#         dnf -y install cuda
-#         rm -rf ${CUDA_RPM}
-# {%- endif %}
+    # We have to diasble some errors considering they emerge as some optimization of the compiler on certain distributuins (sadly on this one to)
+    export CFLAGS+=" -Wno-error=maybe-uninitialized -Wno-error=uninitialized -Wno-error=restrict"
+    export CXXFLAGS+=" -Wno-error=maybe-uninitialized -Wno-error=uninitialized -Wno-error=restrict"
+
+    # Build and install
+    export CMAKE_PREFIX_PATH="${CONDA_PREFIX:-'$(dirname $(which conda))/../'}:${CMAKE_PREFIX_PATH}"
+    MAX_JOBS=${MOOSE_JOBS} python setup.py install
+
+{%- if WITH_LIBTORCH.startswith('cu') %}
+    # We install CUDA Toolkit if the user wants cuda-based libtorch.
+    # Right now this assumes that cuda-based distributions start with -cu-
+        dnf -y install epel-release
+        CUDA_RPM=${BUILD_DIR}/cuda.rpm
+        curl -L https://developer.download.nvidia.com/compute/cuda/11.4.0/local_installers/cuda-repo-rhel8-11-4-local-11.4.0_470.42.01-1.x86_64.rpm -o ${CUDA_RPM}
+        rpm -i ${CUDA_RPM}
+        dnf -y install cuda
+        rm -rf ${CUDA_RPM}
+{%- endif %}
 {%- endif %}
 
     # Install node.js. Requested by dschwen for bison
@@ -225,6 +228,3 @@ Fingerprints: 0CFFCAB55E806363601C442D211817B01E0911DB
     {{ FILES_DIR }}/opt/code-server/bin/code-server-start /opt/code-server/bin/code-server-start
     {{ MOOSE_DIR }}/scripts/{{ WASP_BUILD_SCRIPT }} {{ ROOT_BUILD_DIR }}/{{ WASP_BUILD_SCRIPT }}
     {{ MOOSE_DIR }}/scripts/configure_wasp.sh {{ ROOT_BUILD_DIR }}/configure_wasp.sh
-{%- if WITH_LIBTORCH %}
-    {{ MOOSE_DIR }}/scripts/setup_libtorch.sh {{ ROOT_BUILD_DIR }}/setup_libtorch.sh
-{%- endif %}

scripts/setup_libtorch.sh

@@ -80,7 +80,7 @@ version_check() {
       loc_2=$1
       ;;
     *)
-      echo "'version_check' function does only supports '-g' and '-l' for comparison!"
+      echo "'version_check' function does only support '-g' and '-l' for comparison!"
       exit 0
       ;;
   esac