{lib}[GCC/12.3.0,GCCcore/12.3.0] DGL v1.1.3, DLPack v0.8, Parallel-Hashmap v1.36, ... w/ CUDA 12.1.1

easybuild/easyconfigs/d/DGL/DGL-1.1.3-foss-2023a-CUDA-12.1.1.eb

@@ -0,0 +1,140 @@
+# based on DGL-0.9.1-foss-2021a-CUDA-11.3.1 and DGL-1.1.3-foss-2022a-CUDA-11.7.0
+# GKlib-METIS added as module as third-party approach does not build
+# libxsmm set to 'off' so it is using the EasyBuild module
+# update of https://github.com/easybuilders/easybuild-easyconfigs/pull/20092
+
+easyblock = 'CMakeMake'
+
+name = 'DGL'
+version = '1.1.3'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://www.dgl.ai'
+description = """DGL is an easy-to-use, high performance and scalable Python package for deep learning on graphs.
+DGL is framework agnostic, meaning if a deep graph model is a component of an end-to-end application, the rest
+of the logics can be implemented in any major frameworks, such as PyTorch, Apache MXNet or TensorFlow."""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+github_account = 'dmlc'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = [
+    {
+        'download_filename': 'v%(version)s.tar.gz',
+        'filename': '%(namelower)s-%(version)s.tar.gz',
+    },
+    {
+        'source_urls': ['https://github.com/KarypisLab/METIS/archive'],
+        'download_filename': 'v5.2.1.tar.gz',
+        'filename': 'metis-5.2.1.tar.gz',
+        'extract_cmd': "tar -C %(namelower)s-%(version)s/third_party/METIS --strip-components=1 -xf %s",
+    },
+    {
+        'filename': 'pcg-cpp-428802d.tar.gz',
+        'git_config': {
+            'url': 'https://github.com/imneme',
+            'repo_name': 'pcg-cpp',
+            'commit': '428802d1a5634f96bcd0705fab379ff0113bcf13',
+            'recursive': True,
+        },
+        'extract_cmd': "tar -C %(namelower)s-%(version)s/third_party/pcg --strip-components=1 -xf %s",
+    },
+    {
+        'filename': 'tensorpipe-20230206.tar.gz',
+        'git_config': {
+            'url': 'https://github.com/pytorch',
+            'repo_name': 'tensorpipe',
+            'commit': '6042f1a4cbce8eef997f11ed0012de137b317361',
+            'recursive': True,
+        },
+        'extract_cmd': "tar -C %(namelower)s-%(version)s/third_party/tensorpipe --strip-components=1 -xf %s",
+    },
+    {
+        'filename': 'cccl-c4eda1a.tar.gz',
+        'git_config': {
+            'url': 'https://github.com/NVIDIA',
+            'repo_name': 'cccl',
+            'commit': 'c4eda1aea304c012270dbd10235e60eaf47bd06f',
+            'recursive': True,
+        },
+        'extract_cmd': "tar -C %(namelower)s-%(version)s/third_party/cccl --strip-components=1 -xf %s",
+    },
+    {
+        'filename': 'nanoflann-4c47ca2.tar.gz',
+        'git_config': {
+            'url': 'https://github.com/jlblancoc',
+            'repo_name': 'nanoflann',
+            'commit': '4c47ca200209550c5628c89803591f8a753c8181',
+            'recursive': True,
+        },
+        'extract_cmd': "tar -C %(namelower)s-%(version)s/third_party/nanoflann --strip-components=1 -xf %s",
+    },
+]
+patches = [
+    '%(name)s-%(version)s_use_externals_instead_of_submodules.patch',
+]
+checksums = [
+    'c45021d77ff2b1fed814a8b91260671167fb4e42b7d5fab2d37faa74ae1dc5b4',  # dgl-1.1.3.tar.gz
+    '1a4665b2cd07edc2f734e30d7460afb19c1217c2547c2ac7bf6e1848d50aff7a',  # metis-5.2.1.tar.gz
+    None,  # pcg-cpp-428802d.tar.gz'
+    None,  # tensorpipe-20230206.tar.gz
+    None,  # cccl-c4eda1a.tar.gz
+    None,  # nanoflann-4c47ca2.tar.gz
+    # DGL-1.1.3_use_externals_instead_of_submodules.patch
+    '89a89f8e540824ce483fbaf1750babf9d40826e40763a899d84c753d9ba18c20',
+]
+
+builddependencies = [
+    ('CMake', '3.26.3'),
+    ('googletest', '1.13.0'),
+]
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+    ('networkx', '3.1'),
+    ('tqdm', '4.66.1'),
+    ('DLPack', '0.8'),
+    ('DMLC-Core', '0.5'),
+    ('Parallel-Hashmap', '1.36'),
+    ('CUDA', '12.1.1', '', SYSTEM),
+    ('NCCL', '2.18.3', versionsuffix),
+    ('PyTorch', '2.1.2', versionsuffix),
+    ('libxsmm', '1.17'),
+    ('GKlib-METIS', '5.1.1'),
+]
+
+_copts = [
+    '-DBUILD_CPP_TEST=ON',
+    '-DUSE_CUDA=ON',  # Must be "ON", as opposed to "1" or so, due to bad CMake code in DGL
+    '-DUSE_LIBXSMM=OFF',
+]
+configopts = ' '.join(_copts)
+
+# Must not build shared libs, DGL uses internal versions of, among others, METIS
+# but it doesn't install these internal libraries and simply assumes that everything is
+# statically linked.
+build_shared_libs = False
+
+runtest = 'test'
+
+exts_defaultclass = 'PythonPackage'
+exts_default_options = {
+    'easyblock': 'PythonPackage',
+    'runtest': True,
+}
+
+exts_list = [
+    ('dgl', version, {
+        'source_tmpl': '%(namelower)s-%(version)s.tar.gz',
+        'start_dir': 'python',
+        'checksums': ['c45021d77ff2b1fed814a8b91260671167fb4e42b7d5fab2d37faa74ae1dc5b4'],
+    }),
+]
+
+sanity_check_paths = {
+    'files': ['lib/libdgl.%s' % SHLIB_EXT],
+    'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+moduleclass = 'ai'

easybuild/easyconfigs/d/DGL/DGL-1.1.3_use_externals_instead_of_submodules.patch

@@ -0,0 +1,118 @@
+Use external EasyBuild versions of some submodules
+Author: Ake Sandgren <ake.sandgren@hpc2n.umu.se>
+Updated and modified to version 1.1.3
+Author: J. Sassmannshausen (Imperial College London/UK)
+diff --git a/dgl-1.1.3.orig/CMakeLists.txt b/dgl-1.1.3/CMakeLists.txt
+index db39e48..58a1c90 100644
+--- a/dgl-1.1.3.orig/CMakeLists.txt
++++ b/dgl-1.1.3/CMakeLists.txt
+@@ -253,31 +253,31 @@ endif(USE_CUDA)
+
+ # include directories
+ target_include_directories(dgl PRIVATE "include")
+-target_include_directories(dgl PRIVATE "third_party/dlpack/include")
+-target_include_directories(dgl PRIVATE "third_party/dmlc-core/include")
+-target_include_directories(dgl PRIVATE "third_party/phmap/")
++# target_include_directories(dgl PRIVATE "third_party/dlpack/include")
++# target_include_directories(dgl PRIVATE "third_party/dmlc-core/include")
++# target_include_directories(dgl PRIVATE "third_party/phmap/")
+ target_include_directories(dgl PRIVATE "third_party/METIS/include/")
+ target_include_directories(dgl PRIVATE "tensoradapter/include")
+ target_include_directories(dgl PRIVATE "third_party/nanoflann/include")
+-target_include_directories(dgl PRIVATE "third_party/libxsmm/include")
++# target_include_directories(dgl PRIVATE "third_party/libxsmm/include")
+ target_include_directories(dgl PRIVATE "third_party/pcg/include")
+
+ # For serialization
+ if (USE_HDFS)
+   option(DMLC_HDFS_SHARED "dgl has to build with dynamic hdfs library" ON)
+ endif()
+-add_subdirectory("third_party/dmlc-core")
++# add_subdirectory("third_party/dmlc-core")
+ list(APPEND DGL_LINKER_LIBS dmlc)
+ set(GOOGLE_TEST 0) # Turn off dmlc-core test
+
+ # Compile METIS
+ if(NOT MSVC)
+-  set(GKLIB_PATH "${CMAKE_CURRENT_SOURCE_DIR}/third_party/METIS/GKlib")
+-  include(${GKLIB_PATH}/GKlibSystem.cmake)
+-  include_directories(${GKLIB_PATH})
++  set(GKLIB_PATH ${EBROOTGKLIBMINMETIS})
++  #  include(${GKLIB_PATH}/GKlibSystem.cmake)
++  include_directories("${GKLIB_PATH}/include")
+   include_directories("third_party/METIS/include/")
+   add_subdirectory("third_party/METIS/libmetis/")
+-  list(APPEND DGL_LINKER_LIBS metis)
++  list(APPEND DGL_LINKER_LIBS metis GKlib)
+ endif(NOT MSVC)
+
+ # Compile LIBXSMM
+@@ -296,7 +296,8 @@ if((NOT MSVC) AND USE_LIBXSMM)
+                       )
+   endif(REBUILD_LIBXSMM)
+   add_dependencies(dgl libxsmm)
+-  list(APPEND DGL_LINKER_LIBS -L${CMAKE_SOURCE_DIR}/third_party/libxsmm/lib/ xsmm.a)
++  list(APPEND DGL_LINKER_LIBS -L${CMAKE_SOURCE_DIR}/third_party/libxsmm/lib/ -lxsmm.a)
++  # list(APPEND DGL_LINKER_LIBS xsmm flexiblas)
+ endif((NOT MSVC) AND USE_LIBXSMM)
+
+ if(NOT MSVC)
+@@ -397,12 +398,16 @@ install(TARGETS dgl DESTINATION lib${LIB_SUFFIX})
+ # Testing
+ if(BUILD_CPP_TEST)
+   message(STATUS "Build with unittest")
+-  add_subdirectory(./third_party/googletest)
++  #  add_subdirectory(./third_party/googletest)
+   enable_testing()
+   include_directories(${gtest_SOURCE_DIR}/include ${gtest_SOURCE_DIR})
+   include_directories("include")
+-  include_directories("third_party/dlpack/include")
+-  include_directories("third_party/dmlc-core/include")
++  # include_directories("third_party/dlpack/include")
++  if (USE_AVX)
++    include_directories("third_party/xbyak")
++  endif(USE_AVX)
++
++  # include_directories("third_party/dmlc-core/include")
+   include_directories("third_party/phmap")
+   include_directories("third_party/libxsmm/include")
+   include_directories("third_party/pcg/include")
+diff --git a/dgl-1.1.3.orig/include/dgl/zerocopy_serializer.h b/dgl-1.1.3/include/dgl/zerocopy_serializer.h
+index 0ba962f..78781f6 100644
+--- a/dgl-1.1.3.orig/include/dgl/zerocopy_serializer.h
++++ b/dgl-1.1.3/include/dgl/zerocopy_serializer.h
+@@ -19,7 +19,7 @@
+ #include <utility>
+ #include <vector>
+
+-#include "dmlc/logging.h"
++#include <dmlc/logging.h>
+
+ namespace dgl {
+
+diff --git a/dgl-1.1.3.orig/src/graph/serialize/heterograph_serialize.cc b/dgl-1.1.3/src/graph/serialize/heterograph_serialize.cc
+index 7872b93..79cc457 100644
+--- a/dgl-1.1.3.orig/src/graph/serialize/heterograph_serialize.cc
++++ b/dgl-1.1.3/src/graph/serialize/heterograph_serialize.cc
+@@ -50,7 +50,7 @@
+ #include "../heterograph.h"
+ #include "./dglstream.h"
+ #include "./graph_serialize.h"
+-#include "dmlc/memory_io.h"
++#include <dmlc/memory_io.h>
+
+ namespace dgl {
+ namespace serialize {
+diff --git a/dgl-1.1.3.orig/src/graph/serialize/zerocopy_serializer.cc b/dgl-1.1.3/src/graph/serialize/zerocopy_serializer.cc
+index 0cec855..58fc981 100644
+--- a/dgl-1.1.3.orig/src/graph/serialize/zerocopy_serializer.cc
++++ b/dgl-1.1.3/src/graph/serialize/zerocopy_serializer.cc
+@@ -7,7 +7,7 @@
+ #include <dgl/zerocopy_serializer.h>
+
+ #include "dgl/runtime/ndarray.h"
+-#include "dmlc/memory_io.h"
++#include <dmlc/memory_io.h>
+
+ namespace dgl {
+

easybuild/easyconfigs/d/DLPack/DLPack-0.8-GCC-12.3.0.eb

@@ -0,0 +1,26 @@
+easyblock = 'CMakeMake'
+
+name = 'DLPack'
+version = '0.8'
+
+homepage = 'https://dmlc.github.io/dlpack/latest/'
+description = """DLPack is a stable in-memory data structure for an ndarray
+system to interact with a variety of frameworks."""
+
+toolchain = {'name': 'GCC', 'version': '12.3.0'}
+
+github_account = 'dmlc'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = ['cf965c26a5430ba4cc53d61963f288edddcd77443aa4c85ce722aaf1e2f29513']
+
+builddependencies = [
+    ('CMake', '3.26.3'),
+]
+
+sanity_check_paths = {
+    'files': ['include/dlpack/dlpack.h', 'lib/cmake/dlpack/dlpackConfig.cmake'],
+    'dirs': [],
+}
+
+moduleclass = 'lib'

easybuild/easyconfigs/d/DMLC-Core/DMLC-Core-0.5-GCC-12.3.0.eb

@@ -0,0 +1,38 @@
+easyblock = 'CMakeMake'
+
+name = 'DMLC-Core'
+version = '0.5'
+
+homepage = 'https://dmlc-core.readthedocs.io/en/latest'
+description = """DMLC-Core is the backbone library to support all DMLC
+projects, offers the bricks to build efficient and scalable distributed
+machine learning libraries."""
+
+toolchain = {'name': 'GCC', 'version': '12.3.0'}
+
+github_account = 'dmlc'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = ['v%(version)s.tar.gz']
+checksums = ['cd97475ae1ecf561a1cb1129552f9889d52b11b3beb4c56e5345d007d5020ece']
+
+builddependencies = [
+    ('CMake', '3.26.3'),
+    ('googletest', '1.13.0'),
+]
+
+_copts = [
+    '-DUSE_CXX14_IF_AVAILABLE=ON',
+    '-DGOOGLE_TEST=ON',
+]
+configopts = ' '.join(_copts)
+
+build_shared_libs = True
+
+runtest = 'test'
+
+sanity_check_paths = {
+    'files': ['include/dmlc/common.h', 'lib/cmake/dmlc/dmlc-config.cmake', 'lib/libdmlc.%s' % SHLIB_EXT],
+    'dirs': [],
+}
+
+moduleclass = 'lib'

easybuild/easyconfigs/g/GKlib-METIS/GKlib-METIS-5.1.1-GCCcore-12.3.0.eb

@@ -0,0 +1,42 @@
+# This is needed to install newer versions of DGL.
+# The main reason is that the specific version of METIS used in DGL needs is as a
+# third party software and newer versions of DGL don't have that included any more.
+# Author: J. Sassmannshausen (Imperial College Londoni/UK)
+
+easyblock = 'CMakeMake'
+
+name = 'GKlib-METIS'
+version = '5.1.1'
+
+homepage = 'https://github.com/KarypisLab/GKlib'
+description = """A library of various helper routines and frameworks used by
+many of the lab's software"""
+
+toolchain = {'name': 'GCCcore', 'version': '12.3.0'}
+
+sources = [
+    {
+        'source_urls': ['https://github.com/KarypisLab/GKlib/archive'],
+        'download_filename': 'METIS-v%(version)s-DistDGL-0.5.tar.gz',
+        'filename': '%(name)s-v%(version)s-DistDGL-0.5.tar.gz',
+    }
+]
+checksums = ['52aa0d383d42360f4faa0ae9537ba2ca348eeab4db5f2dfd6343192d0ff4b833']
+
+builddependencies = [
+    ('CMake', '3.26.3'),
+    ('binutils', '2.40'),
+]
+
+dependencies = [
+    ('Python', '3.11.3'),
+]
+
+sanity_check_commands = ['gkgraph -help']
+
+sanity_check_paths = {
+    'files': ['bin/gkgraph'],
+    'dirs': ['lib', 'include'],
+}
+
+moduleclass = 'ai'