Merge branch 'SPI-1997' into 'master'

Adding torch_geometric in cuda stack

Closes SPI-1997

See merge request !977

cmake/toolchain/heptools-dev3cuda.cmake

@@ -32,6 +32,10 @@ LCG_external_package(mako         1.1.4                         )
 LCG_external_package(cupy         9.1.0                         )
 LCG_external_package(fastrlock    0.6                           )
 
+LCG_external_package(torch_geometric 2.0.1                      )
+LCG_external_package(torch_scatter   2.0.8                      )
+LCG_external_package(torch_sparse    0.6.12                     )
+
 #----Overwites for Ubuntu20---------------------------------------
 if( ${LCG_OS}${LCG_OSVERS} MATCHES ubuntu20 )
   LCG_remove_package(TensorRT)

cmake/toolchain/heptools-dev4cuda.cmake

@@ -32,6 +32,11 @@ LCG_external_package(mako         1.1.4                         )
 LCG_external_package(cupy         9.1.0                         )
 LCG_external_package(fastrlock    0.6                           )
 
+LCG_external_package(torch_geometric 2.0.1                      )
+LCG_external_package(torch_scatter   2.0.8                      )
+LCG_external_package(torch_sparse    0.6.12                     )
+
+
 #----Overwites for Ubuntu20---------------------------------------
 if( ${LCG_OS}${LCG_OSVERS} MATCHES ubuntu20 )
   LCG_remove_package(TensorRT)

pyexternals/CMakeLists.txt

@@ -5397,3 +5397,51 @@ LCGPackage_Add(
   BUILD_IN_SOURCE 1
   DEPENDS Python setuptools boost_histogram histoprint numpy more_itertools matplotlib scipy iminuit mplhep
 )
+
+#---torch_scatter-------------------------------------------------------------------
+LCGPackage_Add(
+  torch_scatter
+  URL ${GenURL}/torch_scatter-<VERSION>.tar.gz
+  ENVIRONMENT LD_LIBRARY_PATH=${torch_home}/lib/python${Python_config_version_twodigit}/site-packages/torch/lib:\$ENV{LD_LIBRARY_PATH}
+  CONFIGURE_COMMAND <VOID>
+  BUILD_COMMAND <VOID>
+  INSTALL_COMMAND ${MakeSitePackagesDir}
+          COMMAND ${PYTHON} setup.py install ${PySetupOptions}
+          COMMAND ${CMAKE_SOURCE_DIR}/pyexternals/Python_postinstall.sh <INSTALL_DIR>
+  BUILD_IN_SOURCE 1
+  DEPENDS torch
+)
+
+#---torch_sparse-------------------------------------------------------------------
+LCGPackage_Add(
+  torch_sparse
+  URL ${GenURL}/torch_sparse-<VERSION>.tar.gz
+  ENVIRONMENT FORCE_CUDA=1 
+              LD_LIBRARY_PATH=${torch_home}/lib/python${Python_config_version_twodigit}/site-packages/torch/lib:\$ENV{LD_LIBRARY_PATH}
+              "TORCH_CUDA_ARCH_LIST=6.0 6.1 7.2+PTX 7.5+PTX"
+  CONFIGURE_COMMAND <VOID>
+  BUILD_COMMAND <VOID>
+  INSTALL_COMMAND ${MakeSitePackagesDir}
+          COMMAND ${PYTHON} setup.py install ${PySetupOptions}
+          COMMAND ${CMAKE_SOURCE_DIR}/pyexternals/Python_postinstall.sh <INSTALL_DIR>
+  BUILD_IN_SOURCE 1
+  DEPENDS torch cuda scipy
+)
+
+#---torch_geometric-------------------------------------------------------------------
+LCGPackage_Add(
+  torch_geometric
+  URL ${GenURL}/torch_geometric-<VERSION>.tar.gz
+  CONFIGURE_COMMAND <VOID>
+  BUILD_COMMAND <VOID>
+  INSTALL_COMMAND ${MakeSitePackagesDir}
+          COMMAND ${PYTHON} setup.py install ${PySetupOptions}
+          COMMAND ${CMAKE_SOURCE_DIR}/pyexternals/Python_postinstall.sh <INSTALL_DIR>
+  BUILD_IN_SOURCE 1
+  DEPENDS torch cuda numpy tqdm scipy networkx scikitlearn requests pandas pyparsing PyYAML Jinja2
+          torch_scatter torch_sparse
+)
+
+#'rdflib',
+#'googledrivedownloader',
+#'yacs',