Merge branch 'it4i-karolina'

f/flatbuffers/flatbuffers-2.0.7-GCCcore-11.3.0.eb

@@ -0,0 +1,64 @@
+# IT4Innovations 2023
+# JK
+# --from-pr 17168
+
+##
+# Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+##
+easyblock = 'CMakeNinja'
+
+name = 'flatbuffers'
+version = '2.0.7'
+
+homepage = 'https://github.com/google/flatbuffers/'
+description = """FlatBuffers: Memory Efficient Serialization Library
+
+Includes the Flatbuffers compiler, C/C++ bindings and Python runtime library.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/google/flatbuffers/archive/v%(version)s/']
+sources = [SOURCE_TAR_GZ]
+checksums = ['4c7986174dc3941220bf14feaacaad409c3e1526d9ad7f490366fede9a6f43fa']
+
+builddependencies = [
+    ('binutils', '2.38'),
+    ('CMake', '3.23.1'),
+    ('Ninja', '1.10.2'),
+]
+
+dependencies = [
+    ('Python', '3.10.4'),
+]
+
+# Install into the same dir as the Python extension which is /lib
+configopts = '-DFLATBUFFERS_ENABLE_PCH=ON -DCMAKE_INSTALL_LIBDIR=lib'
+
+exts_defaultclass = 'PythonPackage'
+exts_default_options = {
+    'source_urls': [PYPI_SOURCE],
+    'download_dep_fail': True,
+    'use_pip': True,
+    'sanity_pip_check': True,
+}
+
+exts_list = [
+    ('flatbuffers', version, {
+        'sources': {
+            'download_filename': SOURCE_TAR_GZ,
+            'filename': '%(name)s-python-%(version)s.tar.gz',
+        },
+        'checksums': ['0ae7d69c5b82bf41962ca5fde9cc43033bc9501311d975fd5a25e8a7d29c1245'],
+    }),
+]
+
+sanity_check_paths = {
+    'files': ['include/flatbuffers/flatbuffers.h', 'bin/flatc', 'lib/libflatbuffers.a'],
+    'dirs': ['lib/cmake', 'lib/python%(pyshortver)s/site-packages'],
+}
+
+modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
+
+moduleclass = 'devel'

o/OpenMPI/OpenMPI-4.1.4-GCC-12.2.0.eb

@@ -0,0 +1,99 @@
+# IT4Innovations 2023
+# JK
+
+name = 'OpenMPI'
+version = '4.1.4'
+
+homepage = 'https://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+toolchain = {'name': 'GCC', 'version': '12.2.0'}
+
+source_urls = ['https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_BZ2]
+patches = [
+    'OpenMPI-4.1.1_build-with-internal-cuda-header.patch',
+    'OpenMPI-4.1.1_opal-datatype-cuda-performance.patch',
+]
+checksums = [
+    '92912e175fd1234368c8730c03f4996fe5942e7479bb1d10059405e7f2b3930d',  # openmpi-4.1.4.tar.bz2
+    # OpenMPI-4.1.1_build-with-internal-cuda-header.patch
+    '63eac52736bdf7644c480362440a7f1f0ae7c7cae47b7565f5635c41793f8c83',
+    # OpenMPI-4.1.1_opal-datatype-cuda-performance.patch
+    'b767c7166cf0b32906132d58de5439c735193c9fd09ec3c5c11db8d5fa68750e',
+]
+
+builddependencies = [
+    ('pkgconf', '1.9.3'),
+    ('Perl', '5.36.0'),
+    ('Autotools', '20220317'),
+]
+
+dependencies = [
+    ('zlib', '1.2.12'),
+    ('hwloc', '2.8.0'),
+    ('libevent', '2.1.12'),
+    ('UCX', '1.13.1'),
+    ('libfabric', '1.16.1'),
+    ('PMIx', '4.2.2'),
+    ('UCC', '1.1.0'),
+]
+
+# Update configure to include changes from the "internal-cuda" patch
+# by running a subset of autogen.pl sufficient to achieve this
+# without doing the full, long-running regeneration.
+preconfigopts = ' && '.join([
+    'cd config',
+    'autom4te --language=m4sh opal_get_version.m4sh -o opal_get_version.sh',
+    'cd ..',
+    'autoconf',
+    'autoheader',
+    'aclocal',
+    'automake',
+    ''
+])
+
+# IT4I-specific settings
+
+configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs '
+configopts += '--enable-mpirun-prefix-by-default '
+configopts += '--with-hwloc=$EBROOTHWLOC '  # hwloc support
+configopts += '--with-tm=/opt/pbs '  # Enable PBS
+configopts += '--enable-mpi-cxx '  # Enable building the C++ MPI bindings
+configopts += '--with-ucx=$EBROOTUCX '
+
+osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')]
+
+postinstallcmds = [
+    'echo "# By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default." >> %(installdir)s/etc/openmpi-mca-params.conf',
+    'echo "btl_openib_allow_ib = true" >> %(installdir)s/etc/openmpi-mca-params.conf',
+]
+
+local_libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
+sanity_check_paths = {
+    'files': [
+        "bin/%s" %
+        binfile for binfile in [
+            "ompi_info", "opal_wrapper", "orterun"]] + [
+                "lib/lib%s.%s" %
+                (libfile, SHLIB_EXT) for libfile in local_libs] + [
+                    "include/%s.h" %
+                    x for x in [
+                        "mpi-ext", "mpif-config", "mpif", "mpi", "mpi_portable_platform"]], 'dirs': [], }
+
+import os
+if os.environ.get("CLUSTERNAME") in ["BARBORA"]:
+   modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
+                'OMPI_MCA_btl_tcp_if_include': '10.33.4.0/24',
+                'OMPI_MCA_orte_base_help_aggregate': '0',
+   }
+elif os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
+                'OMPI_MCA_orte_base_help_aggregate': '0',
+   }
+else:
+   modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx4_0',
+                'OMPI_MCA_oob_tcp_if_include': '10.0.0.0/8',
+   }
+
+moduleclass = 'mpi'

q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb

@@ -38,9 +38,9 @@ sources = [
     {'filename': 'wannier90-3.1.0.tar.gz', 'download_filename': 'v3.1.0.tar.gz'},
 ]
 checksums = [
-    'feacdbc67d084d55df464f989a916f20dfe11a50ccfda782573cdeed4fab3d3a',  # qe-7.1-ReleasePack.tar.gz
+    {'qe-7.1-ReleasePack.tar.gz': 'feacdbc67d084d55df464f989a916f20dfe11a50ccfda782573cdeed4fab3d3a'},
-#    '486b60f38fad7363f81d346adc69de004692f50c9f6be59eee5152a717ca1513',  # qe-gipaw-7.1.tar.gz
+#    {'qe-gipaw-7.1.tar.gz': '486b60f38fad7363f81d346adc69de004692f50c9f6be59eee5152a717ca1513'},
-    '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254',  # wannier90-3.1.0.tar.gz
+    {'wannier90-3.1.0.tar.gz': '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254'},
 ]
 
 builddependencies = [
@@ -67,12 +67,9 @@ elif os.environ.get("CLUSTERNAME") in ["BARBORA"]:
     configopts += '-DNVFORTRAN_CUDA_CC=70 '
 
 # gipaw zatim neni portle na GPU
-<<<<<<< HEAD
+buildopts = 'all want gwl xspectra couple epw w90'
-buildopts = 'all gwl xspectra couple epw w90 gipaw'
+#buildopts = 'all gwl xspectra couple epw w90' # no rule to make target 'gipaw'
-=======
-buildopts = 'all gwl xspectra couple epw w90' # no rule to make target 'gipaw'
 # preinstallopts = ' FC=pgfortran F77=pgfortran F90=pgfortran CC=pgcc CXX=pgc++ ctest -j4 --output-on-failure -L unit && '
->>>>>>> 29b78ea8b06f36251039ac323d3514a3ffa54caa
 
 # parallel build tends to fail
 parallel = 1

t/Tensorflow/TensorFlow-2.10.1-foss-2022a-CUDA-11.7.0.eb

@@ -0,0 +1,221 @@
+# IT4Innovations 2023
+# JK
+# --from-pr 17168
+easyblock = 'PythonBundle'
+
+name = 'TensorFlow'
+version = '2.10.1'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://www.tensorflow.org/'
+description = "An open-source software library for Machine Intelligence"
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+toolchainopts = {'pic': True}
+
+builddependencies = [
+    ('Bazel', '5.1.1'),
+    ('protobuf', '3.19.4'),
+    # git 2.x required, see also https://github.com/tensorflow/tensorflow/issues/29053
+    ('git', '2.36.0', '-nodocs'),
+    ('pybind11', '2.9.2'),
+    ('UnZip', '6.0'),
+    ('LLVM', '14.0.3'),  # for debugging with llvm-symbolizer, to be removed
+]
+dependencies = [
+    ('CUDA', '11.7.0', '', SYSTEM),
+    ('cuDNN', '8.4.1.50', versionsuffix, SYSTEM),
+    ('NCCL', '2.12.12', versionsuffix),
+    ('Python', '3.10.4'),
+    ('h5py', '3.7.0'),
+    ('cURL', '7.83.0'),
+    ('dill', '0.3.6'),
+    ('double-conversion', '3.2.0'),
+    ('flatbuffers', '2.0.7'),
+    ('giflib', '5.2.1'),
+    ('hwloc', '2.7.1'),
+    ('ICU', '71.1'),
+    ('JsonCpp', '1.9.5'),
+    ('libjpeg-turbo', '2.1.3'),
+    ('LMDB', '0.9.29'),
+    ('NASM', '2.15.05'),
+    ('nsync', '1.25.0'),
+    ('SQLite', '3.38.3'),
+    ('protobuf-python', '3.19.4'),
+    ('libpng', '1.6.37'),
+    ('snappy', '1.1.9'),
+    ('zlib', '1.2.12'),
+    ('networkx', '2.8.4'),  # required for pythran
+]
+
+use_pip = True
+sanity_pip_check = True
+
+# Dependencies created and updated using findPythonDeps.sh:
+# https://gist.github.com/Flamefire/49426e502cd8983757bd01a08a10ae0d
+exts_list = [
+    ('wrapt', '1.14.1', {
+        'checksums': ['380a85cf89e0e69b7cfbe2ea9f765f004ff419f34194018a6827ac0e3edfed4d'],
+    }),
+    ('termcolor', '1.1.0', {
+        'checksums': ['1d6d69ce66211143803fbc56652b41d73b4a400a2891d7bf7a1cdf4c02de613b'],
+    }),
+    ('tensorflow-estimator', '2.10.0', {
+        'source_tmpl': 'tensorflow_estimator-%(version)s-py2.py3-none-any.whl',
+        'checksums': ['f324ea17cd57f16e33bf188711d5077e6b2e5f5a12c328d6e01a07b23888edcd'],
+    }),
+    ('Werkzeug', '2.2.2', {
+        'checksums': ['7ea2d48322cc7c0f8b3a215ed73eabd7b5d75d0b50e31ab006286ccff9e00b8f'],
+    }),
+    ('tensorboard-plugin-wit', '1.8.1', {
+        'source_tmpl': 'tensorboard_plugin_wit-%(version)s-py3-none-any.whl',
+        'checksums': ['ff26bdd583d155aa951ee3b152b3d0cffae8005dc697f72b44a8e8c2a77a8cbe'],
+    }),
+    ('tensorboard-data-server', '0.6.1', {
+        'source_tmpl': 'tensorboard_data_server-%(version)s-py3-none-any.whl',
+        'checksums': ['809fe9887682d35c1f7d1f54f0f40f98bb1f771b14265b453ca051e2ce58fca7'],
+    }),
+    ('Markdown', '3.4.1', {
+        'checksums': ['3b809086bb6efad416156e00a0da66fe47618a5d6918dd688f53f40c8e4cfeff'],
+    }),
+    ('grpcio', '1.51.1', {
+        'modulename': 'grpc',
+        'preinstallopts': "export GRPC_PYTHON_BUILD_EXT_COMPILER_JOBS=%(parallel)s && ",
+        'checksums': ['e6dfc2b6567b1c261739b43d9c59d201c1b89e017afd9e684d85aa7a186c9f7a'],
+    }),
+    ('oauthlib', '3.2.2', {
+        'checksums': ['9859c40929662bec5d64f34d01c99e093149682a3f38915dc0655d5a633dd918'],
+    }),
+    ('requests-oauthlib', '1.3.1', {
+        'checksums': ['75beac4a47881eeb94d5ea5d6ad31ef88856affe2332b9aafb52c6452ccf0d7a'],
+    }),
+    ('rsa', '4.9', {
+        'checksums': ['e38464a49c6c85d7f1351b0126661487a7e0a14a50f1675ec50eb34d4f20ef21'],
+    }),
+    ('pyasn1-modules', '0.2.8', {
+        'checksums': ['905f84c712230b2c592c19470d3ca8d552de726050d1d1716282a1f6146be65e'],
+    }),
+    ('cachetools', '5.2.1', {
+        'checksums': ['5991bc0e08a1319bb618d3195ca5b6bc76646a49c21d55962977197b301cc1fe'],
+    }),
+    ('google-auth', '2.16.0', {
+        'modulename': 'google.auth',
+        'checksums': ['ed7057a101af1146f0554a769930ac9de506aeca4fd5af6543ebe791851a9fbd'],
+    }),
+    ('google-auth-oauthlib', '0.4.6', {
+        'checksums': ['a90a072f6993f2c327067bf65270046384cda5a8ecb20b94ea9a687f1f233a7a'],
+    }),
+    ('absl-py', '1.4.0', {
+        'modulename': 'absl',
+        'checksums': ['d2c244d01048ba476e7c080bd2c6df5e141d211de80223460d5b3b8a2a58433d'],
+    }),
+    ('tensorboard', version, {
+        'source_tmpl': '%(name)s-%(version)s-py3-none-any.whl',
+        'checksums': ['fb9222c1750e2fa35ef170d998a1e229f626eeced3004494a8849c88c15d8c1c'],
+    }),
+    ('opt-einsum', '3.3.0', {
+        'source_tmpl': 'opt_einsum-%(version)s.tar.gz',
+        'checksums': ['59f6475f77bbc37dcf7cd748519c0ec60722e91e63ca114e68821c0c54a46549'],
+    }),
+    ('Keras-Preprocessing', '1.1.2', {
+        'source_tmpl': 'Keras_Preprocessing-%(version)s.tar.gz',
+        'checksums': ['add82567c50c8bc648c14195bf544a5ce7c1f76761536956c3d2978970179ef3'],
+    }),
+    ('keras', '2.10.0', {
+        'source_tmpl': '%(name)s-%(version)s-py2.py3-none-any.whl',
+        'checksums': ['26a6e2c2522e7468ddea22710a99b3290493768fc08a39e75d1173a0e3452fdf'],
+    }),
+    ('google-pasta', '0.2.0', {
+        'modulename': 'pasta',
+        'checksums': ['c9f2c8dfc8f96d0d5808299920721be30c9eec37f2389f28904f454565c8a16e'],
+    }),
+    ('astunparse', '1.6.3', {
+        'checksums': ['5ad93a8456f0d084c3456d059fd9a92cce667963232cbf763eac3bc5b7940872'],
+    }),
+    ('gast', '0.4.0', {
+        'checksums': ['40feb7b8b8434785585ab224d1568b857edb18297e5a3047f1ba012bc83b42c1'],
+    }),
+    ('beniget', '0.3.0', {
+        'checksums': ['062c893be9cdf87c3144fb15041cce4d81c67107c1591952cd45fdce789a0ff1'],
+    }),
+    ('pythran', '0.9.11', {
+        'checksums': ['a317f91e2aade9f6550dc3bf40b5caeb45b7e012daf27e2b3e4ad928edb01667'],
+    }),
+    ('portpicker', '1.5.2', {
+        'checksums': ['c55683ad725f5c00a41bc7db0225223e8be024b1fa564d039ed3390e4fd48fb3'],
+    }),
+    ('tblib', '1.7.0', {
+        'checksums': ['059bd77306ea7b419d4f76016aef6d7027cc8a0785579b5aad198803435f882c'],
+    }),
+    ('astor', '0.8.1', {
+        'checksums': ['6a6effda93f4e1ce9f618779b2dd1d9d84f1e32812c23a29b3fff6fd7f63fa5e'],
+    }),
+    ('gviz-api', '1.10.0', {
+        'source_tmpl': 'gviz_api-%(version)s.tar.gz',
+        'checksums': ['846692dd8cc73224fc31b18e41589bd934e1cc05090c6576af4b4b26c2e71b90'],
+    }),
+    ('tensorboard-plugin-profile', '2.8.0', {
+        'source_tmpl': 'tensorboard_plugin_profile-%(version)s.tar.gz',
+        'checksums': ['58d65c979951e7628ca3b46c798e10e5813026a3ecfbacc319cf88ebe766134a'],
+    }),
+    (name, version, {
+        'patches': [
+            'TensorFlow-2.4.0_dont-use-var-lock.patch',
+            'TensorFlow-2.5.0_disable-avx512-extensions.patch',
+            'TensorFlow-2.5.0-fix-alias-violation-in-absl.patch',
+            'TensorFlow-2.5.0_fix-crash-on-shutdown.patch',
+            'TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch',
+            'TensorFlow-2.8.4_resolve-gcc-symlinks.patch',
+            'TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch',
+            'TensorFlow-2.9.1_remove-libclang-and-io-gcs-deps.patch',
+        ],
+        'source_tmpl': 'v%(version)s.tar.gz',
+        'source_urls': ['https://github.com/tensorflow/tensorflow/archive/'],
+        'test_script': 'TensorFlow-2.x_mnist-test.py',
+        'test_tag_filters_cpu': '-gpu,-tpu,-no_cuda_on_cpu_tap,-no_pip,-no_oss,-oss_serial,-benchmark-test,-v1only',
+        'test_tag_filters_gpu': 'gpu,-no_gpu,-nogpu,-gpu_cupti,-no_cuda11,-no_pip,-no_oss,-oss_serial,-benchmark-test,-v1only',
+        'test_targets': [
+            '//tensorflow/core/...',
+            '-//tensorflow/core:example_java_proto',
+            '-//tensorflow/core/example:example_protos_closure',
+            '//tensorflow/cc/...',
+            '//tensorflow/c/...',
+            '//tensorflow/python/...',
+            '-//tensorflow/c/eager:c_api_test_gpu',
+            '-//tensorflow/c/eager:c_api_distributed_test',
+            '-//tensorflow/c/eager:c_api_distributed_test_gpu',
+            '-//tensorflow/c/eager:c_api_cluster_test_gpu',
+            '-//tensorflow/c/eager:c_api_remote_function_test_gpu',
+            '-//tensorflow/c/eager:c_api_remote_test_gpu',
+            '-//tensorflow/core/common_runtime:collective_param_resolver_local_test',
+            '-//tensorflow/core/common_runtime:mkl_layout_pass_test',
+            '-//tensorflow/core/kernels/mkl:mkl_fused_ops_test',
+            '-//tensorflow/core/kernels/mkl:mkl_fused_batch_norm_op_test',
+            '-//tensorflow/core/ir/importexport/tests/roundtrip/...',
+        ],
+        'testopts': "--test_timeout=3600 --test_size_filters=small",
+        'testopts_gpu': "--test_timeout=3600 --test_size_filters=small --run_under=//tensorflow/tools/ci_build/gpu_build:parallel_gpu_execute",
+        'with_xla': True,
+        'checksums': [
+            {'v2.10.1.tar.gz': '622a92e22e6f3f4300ea43b3025a0b6122f1cc0e2d9233235e4c628c331a94a3'},
+            {'TensorFlow-2.4.0_dont-use-var-lock.patch':
+             'b14f2493fd2edf79abd1c4f2dde6c98a3e7d5cb9c25ab9386df874d5f072d6b5'},
+            {'TensorFlow-2.5.0_disable-avx512-extensions.patch':
+             '3655ce24c97569ac9738c07cac85347ba6f5c815ada95b19b606ffa46d4dda03'},
+            {'TensorFlow-2.5.0-fix-alias-violation-in-absl.patch':
+             '12454fda3330fb45cd380377e283f04488b40e0b8ae7378e786ddf731a581f75'},
+            {'TensorFlow-2.5.0_fix-crash-on-shutdown.patch':
+             '578c7493221ebd3dc25ca43d63a72cbb28fdf4112b1e2baa7390f25781bd78fd'},
+            {'TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch':
+             'ebd404ac56cc4ca662483f1f591e62e11749361be57a7ba5f4b2f0d03e829884'},
+            {'TensorFlow-2.8.4_resolve-gcc-symlinks.patch':
+             'db57afc1bdc2ea3367754a808af8a5f35a67e9b78862081701a08839151f788b'},
+            {'TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch':
+             '6fe50faab28387c622c68dc3fc0cbfb2a51000cd750c1a82f8420b54fcd2509f'},
+            {'TensorFlow-2.9.1_remove-libclang-and-io-gcs-deps.patch':
+             '13a987ce8e20957d9a618493f6a0e8f67e0f9c8b11596f27bcd7322a8e62113d'},
+        ],
+    }),
+]
+
+moduleclass = 'lib'

t/Tensorflow/TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch

@@ -0,0 +1,18 @@
+XNNPACK is not supported on PowerPC so disable it by default.
+See https://github.com/tensorflow/tensorflow/issues/58768
+
+Author: Alexander Grund (TU Dresden)
+
+diff --git a/tensorflow/lite/BUILD b/tensorflow/lite/BUILD
+index 198f949b341..d15dcf9a80d 100644
+--- a/tensorflow/lite/BUILD
++++ b/tensorflow/lite/BUILD
+@@ -709,6 +709,8 @@ cc_library(
+     deps = select({
+         "//tensorflow:macos": [],
+         "//tensorflow:fuchsia": [],
++        # XNNPACK is not supported on PPC
++        "//tensorflow:linux_ppc64le": [],
+         "//conditions:default": [":tflite_with_xnnpack_enabled"],
+     }),
+ )

t/Tensorflow/TensorFlow-2.8.4_resolve-gcc-symlinks.patch

@@ -0,0 +1,28 @@
+Fix for "undeclared inclusion(s) in rule" errors when the installation directory
+for GCC is hosted in a path that is a symlink to another path.
+
+From https://github.com/tensorflow/tensorflow/pull/56360
+
+From b3a8fdbcb79e723f8d62f86bddcfdfb73fe76291 Mon Sep 17 00:00:00 2001
+From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
+Date: Sat, 4 Jun 2022 19:06:58 -0400
+Subject: [PATCH] resolve gcc_host_compiler_path in a symlink directory
+
+Resolves a missing dependency declarations error, when gcc_host_compiler_path is in a symlink directory resolving to other directories.
+---
+ configure.py | 2 +-
+ 1 file changed, 1 insertion(+), 1 deletion(-)
+
+diff --git a/configure.py b/configure.py
+index bf338bdda2297..77af09a22a05d 100644
+--- a/configure.py
++++ b/configure.py
+@@ -619,7 +619,7 @@ def prompt_loop_or_load_from_env(environ_cp,
+                          'Assuming to be a scripting mistake.' %
+                          (var_name, n_ask_attempts))
+
+-  if resolve_symlinks and os.path.islink(val):
++  if resolve_symlinks:
+     val = os.path.realpath(val)
+   environ_cp[var_name] = val
+   return val

t/Tensorflow/TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch

@@ -0,0 +1,55 @@
+TensorFlow adds some GPU tests twice increasing the runtime of the test suite.
+This filters out the test part meant for CPU.
+
+See https://github.com/tensorflow/tensorflow/issues/47081
+From https://github.com/tensorflow/tensorflow/pull/59129
+
+Author: Alexander Grund (TU Dresden)
+---
+ tensorflow/tensorflow.bzl | 33 +++++++++++++++++----------------
+ 1 file changed, 17 insertions(+), 16 deletions(-)
+
+diff --git a/tensorflow/tensorflow.bzl b/tensorflow/tensorflow.bzl
+index 649c8e22dcc95..d3fc0e3221497 100644
+--- a/tensorflow/tensorflow.bzl
++++ b/tensorflow/tensorflow.bzl
+@@ -1461,22 +1461,23 @@ def tf_gpu_cc_test(
+         linkopts = [],
+         **kwargs):
+     targets = []
+-    tf_cc_test(
+-        name = name,
+-        size = size,
+-        srcs = srcs,
+-        args = args,
+-        data = data,
+-        extra_copts = extra_copts + if_cuda(["-DNV_CUDNN_DISABLE_EXCEPTION"]),
+-        kernels = kernels,
+-        linkopts = linkopts,
+-        linkstatic = linkstatic,
+-        suffix = "_cpu",
+-        tags = tags,
+-        deps = deps,
+-        **kwargs
+-    )
+-    targets.append(name + "_cpu")
++    if 'gpu' not in tags:
++        tf_cc_test(
++            name = name,
++            size = size,
++            srcs = srcs,
++            args = args,
++            data = data,
++            extra_copts = extra_copts + if_cuda(["-DNV_CUDNN_DISABLE_EXCEPTION"]),
++            kernels = kernels,
++            linkopts = linkopts,
++            linkstatic = linkstatic,
++            suffix = "_cpu",
++            tags = tags,
++            deps = deps,
++            **kwargs
++        )
++        targets.append(name + "_cpu")
+     tf_cc_test(
+         name = name,
+         size = size,

t/Tensorflow/TensorFlow-2.9.1_remove-libclang-and-io-gcs-deps.patch

@@ -0,0 +1,35 @@
+This combines two patches from TensorFlow 2.7.1.
+
+tensorflow-io-gcs-filesystem is not available as a binary for all architectures and
+building it requires TensorFlow to be installed, i.e. there is a cyclic dependency.
+As it is not actually required (but optional) remove it from `REQUIRED_PACKAGES`.
+See https://github.com/tensorflow/tensorflow/issues/56636
+
+libclang was introduced in
+https://github.com/tensorflow/tensorflow/commit/c211472000ff57bac7fcec9b0465cf73b37bf135
+> This is in preparation to open-source TF's TFRT backend.
+> TFRT generates code using libclang python bindings as part of the build.
+Hence it is not currently used and as it is not (easily) available for all architectures
+simply remove it.
+
+Patch added by Simon Branford (University of Birmingham)
+Updated by Alexander Grund (TU Dresden)
+
+--- a/tensorflow/tools/pip_package/setup.py
++++ b/tensorflow/tools/pip_package/setup.py
+@@ -83,7 +83,6 @@ REQUIRED_PACKAGES = [
+     'google_pasta >= 0.1.1',
+     'h5py >= 2.9.0',
+     'keras_preprocessing >= 1.1.1',  # 1.1.0 needs tensorflow==1.7
+-    'libclang >= 13.0.0',
+     'numpy >= 1.20',
+     'opt_einsum >= 2.3.2',
+     'packaging',
+@@ -100,7 +99,6 @@ REQUIRED_PACKAGES = [
+     'termcolor >= 1.1.0',
+     'typing_extensions >= 3.6.6',
+     'wrapt >= 1.11.0',
+-    'tensorflow-io-gcs-filesystem >= 0.23.1',
+     # grpcio does not build correctly on big-endian machines due to lack of
+     # BoringSSL support.
+     # See https://github.com/tensorflow/tensorflow/issues/17882.

u/UCX/UCX-1.13.1-GCCcore-12.2.0.eb

@@ -0,0 +1,56 @@
+# IT4Innovations 2023
+# JK
+easyblock = 'ConfigureMake'
+
+name = 'UCX'
+version = '1.13.1'
+
+homepage = 'https://www.openucx.org/'
+description = """Unified Communication X
+An open-source production grade communication framework for data centric
+and high-performance applications
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '12.2.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/openucx/ucx/releases/download/v%(version)s']
+sources = ['%(namelower)s-%(version)s.tar.gz']
+patches = [
+    'UCX-1.13.1-dynamic_modules.patch',
+    'UCX-1.13.1_fix-undeclared-PTR.patch',
+]
+checksums = [
+    {'ucx-1.13.1.tar.gz': '2c4a2f96c700e3705e185c2846a710691b6e800e8aec11fd4b3e47bcc3990548'},
+    {'UCX-1.13.1-dynamic_modules.patch': '00874687bd90b795fff61aaa183f6c6bea2210aa1003b28f23d9ebf7066f8782'},
+    {'UCX-1.13.1_fix-undeclared-PTR.patch': 'ef22c29604552ad3223f2a6bac352f30023cc5cf68f786abfdc4ad7c04189a76'},
+]
+
+builddependencies = [
+    ('binutils', '2.39'),
+    ('Autotools', '20220317'),
+    ('pkgconf', '1.9.3'),
+]
+
+osdependencies = [OS_PKG_IBVERBS_DEV]
+
+dependencies = [
+    ('zlib', '1.2.12'),
+    ('numactl', '2.0.16'),
+]
+
+configure_cmd = "contrib/configure-release"
+
+configopts = '--enable-optimizations --enable-cma --enable-mt --with-verbs '
+configopts += '--without-java --without-go --disable-doxygen-doc '
+
+buildopts = 'V=1'
+
+sanity_check_paths = {
+    'files': ['bin/ucx_info', 'bin/ucx_perftest', 'bin/ucx_read_profile'],
+    'dirs': ['include', 'lib', 'share']
+}
+
+sanity_check_commands = ["ucx_info -d"]
+
+moduleclass = 'lib'

x/XALT/XALT-2.10.45-GPU-eb.eb

@@ -0,0 +1,65 @@
+#IT4Innovations
+# LK 2023
+
+name = 'XALT'
+version = '2.10.45'
+versionsuffix = "-GPU-eb"
+
+homepage = 'https://github.com/xalt/xalt'
+description = """XALT 2 is a tool to allow a site to track user executables
+  and library usage on a cluster. When installed it can tell a site what are
+  the top executables by Node-Hours or by the number of users or the number
+  of times it is run. XALT 2 also tracks library usage as well. XALT 2 can
+  also track package use by R, MATLAB or Python. It tracks both MPI and
+  non-MPI programs."""
+
+toolchain = SYSTEM
+
+# The location of XALT configuration file must be specified via
+# 'config_py' easyconfig parameter.  You can edit the easyconfig file,
+# or use 'eb --try-amend=config_py=<path>'. " See
+# https://xalt.readthedocs.io/en/latest/030_site_filtering.html for
+# more information.
+config_py = "/apps/.xalt/IT4I_config.py" 
+
+# The name of the system must be specified via the 'syshost'
+# easyconfig parameter.  You can edit the easyconfig file, or use 'eb
+# --try-amend=syshost=<string>'.  See
+# https://xalt.readthedocs.io/en/latest/020_site_configuration.html
+# for more information.
+syshost = "env_var:CLUSTERNAME"
+
+# The XALT transmission method must be specified via the
+# 'transmission' easyconfig parameter.  You can edit the easyconfig
+# file, or use 'eb --try-amend=transmission=<string>'.  See
+# https://xalt.readthedocs.io/en/latest/020_site_configuration.html
+# for more information.
+transmission = "file"
+
+# Additional options
+executable_tracking = True
+gpu_tracking = True
+logging_url = None
+mysql = True
+scalar_sampling = True
+static_cxx = False
+
+source_urls = ['https://github.com/xalt/xalt/archive/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['c10898402111b230eac1c0d3769a4b46361c97fc3415977c2199b5db3de8c547']
+
+builddependencies = [
+    ('cURL', '7.76.0'),
+    ('flex', '2.6.4'),
+    ('util-linux', '2.36'),
+    ('CUDA', '11.7.0')
+]
+
+osdependencies = [
+    ('bc'),
+    ('coreutils'),
+    ('libelf-dev', 'elfutils-libelf-devel'),
+    OS_PKG_OPENSSL_DEV,
+]
+
+moduleclass = 'lib'

x/XALT/XALT-2.10.45-eb.eb

@@ -37,12 +37,12 @@ syshost = "env_var:CLUSTERNAME"
 transmission = "file"
 
 # Additional options
-local_executable_tracking = True
+executable_tracking = True
-local_gpu_tracking = Yes
+gpu_tracking = False
-local_logging_url = None
+logging_url = None
-local_mysql = False
+mysql = True
-local_scalar_sampling = True
+scalar_sampling = True
-local_static_cxx = True
+static_cxx = False
 
 source_urls = ['https://github.com/xalt/xalt/archive/']
 sources = [SOURCELOWER_TAR_GZ]