{tools}[gfbf/2023a] jax v0.4.25 w/ CUDA 12.1.1

easybuild/easyconfigs/j/jax/jax-0.4.25-foss-2023a-CUDA-12.1.1.eb

@@ -0,0 +1,134 @@
+# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild
+# Author: Denis Kristak
+# Updated by: Alex Domingo (Vrije Universiteit Brussel)
+# Updated by: Thomas Hoffmann (EMBL Heidelberg)
+easyblock = 'PythonBundle'
+
+name = 'jax'
+version = '0.4.25'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://pypi.python.org/pypi/jax'
+description = """Composable transformations of Python+NumPy programs:
+differentiate, vectorize, JIT to GPU/TPU, and more"""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+cuda_compute_capabilities = ["5.0", "6.0", "6.1", "7.0", "7.5", "8.0", "8.6", "9.0"]
+
+builddependencies = [
+    ('Bazel', '6.3.1'),
+    ('pytest-xdist', '3.3.1'),
+    # git 2.x required to fetch repository 'io_bazel_rules_docker'
+    ('git', '2.41.0', '-nodocs'),
+    ('matplotlib', '3.7.2'),  # required for tests/lobpcg_test.py
+    ('poetry', '1.5.1'),
+]
+
+dependencies = [
+    ('CUDA', '12.1.1', '', SYSTEM),
+    ('cuDNN', '8.9.2.26', versionsuffix, SYSTEM),
+    ('NCCL', '2.18.3', versionsuffix),
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+    ('flatbuffers-python', '23.5.26'),
+    ('zlib', '1.2.13'),
+    ('ml_dtypes', '0.3.2'),
+]
+
+# downloading xla and other tarballs to avoid that Bazel downloads it during the build
+# note: this *must* be the exact same commit as used in third_party/{xla,"other"}/workspace.bzl
+local_xla_commit = '4ccfe33c71665ddcbca5b127fefe8baa3ed632d4'
+local_tfrt_commit = '0aeefb1660d7e37964b2bb71b1f518096bda9a25'
+local_repo_opt = '--bazel_options="--override_repository=xla=%%(builddir)s/xla-%s" ' % local_xla_commit
+local_repo_opt += '--bazel_options="--override_repository=runtime=%%(builddir)s/tf_runtime-%s" ' % local_xla_commit
+
+
+# Some tests require an isolated run:
+local_isolated_tests = [
+    'tests/host_callback_test.py::HostCallbackTapTest::test_tap_scan_custom_jvp',
+    'tests/host_callback_test.py::HostCallbackTapTest::test_tap_transforms_doc',
+    'tests/lax_scipy_special_functions_test.py::LaxScipySpcialFunctionsTest' +
+    '::testScipySpecialFun_gammainc_s_2x1x4_float32_float32',
+]
+# deliberately not testing in parallel, as that results in (additional) failing tests;
+# use XLA_PYTHON_CLIENT_ALLOCATOR=platform to allocate and deallocate GPU memory during testing,
+# see https://github.com/google/jax/issues/7323 and
+# https://github.com/google/jax/blob/main/docs/gpu_memory_allocation.rst;
+# use CUDA_VISIBLE_DEVICES=0 to avoid failing tests on systems with multiple GPUs;
+# use NVIDIA_TF32_OVERRIDE=0 to avoid lossing numerical precision by disabling TF32 Tensor Cores;
+local_test_exports = [
+    "NVIDIA_TF32_OVERRIDE=0",
+    "CUDA_VISIBLE_DEVICES=0",
+    "XLA_PYTHON_CLIENT_ALLOCATOR=platform",
+    "JAX_ENABLE_X64=true",
+]
+local_test = ''.join(['export %s;' % x for x in local_test_exports])
+# run all tests at once except for local_isolated_tests:
+local_test += "pytest -vv tests %s &&" % ' '.join(['--deselect %s' % x for x in local_isolated_tests])
+# run remaining local_isolated_tests separately: 
+local_test += '&&'.join(['pytest -vv %s' % x for x in local_isolated_tests])
+
+use_pip = True
+
+default_easyblock = 'PythonPackage'
+default_component_specs = {
+    'sources': [SOURCE_TAR_GZ],
+    'source_urls': [PYPI_SOURCE],
+    'start_dir': '%(name)s-%(version)s',
+    'use_pip': True,
+    'sanity_pip_check': True,
+    'download_dep_fail': True,
+}
+
+components = [
+    ('absl-py', '2.1.0', {
+        'options': {'modulename': 'absl'},
+        'checksums': ['7820790efbb316739cde8b4e19357243fc3608a152024288513dd968d7d959ff'],
+    }),
+    ('jaxlib', version, {
+        'sources': [
+            '%(name)s-v%(version)s.tar.gz',
+            {
+                'download_filename': '%s.tar.gz' % local_xla_commit,
+                'filename': 'xla-%s.tar.gz' % local_xla_commit,
+            },
+            {
+                'download_filename': '%s.tar.gz' % local_tfrt_commit,
+                'filename': 'tf_runtime-%s.tar.gz' % local_tfrt_commit,
+            },
+        ],
+        'source_urls': [
+            'https://github.com/google/jax/archive/',
+            'https://github.com/tensorflow/runtime/archive',
+            'https://github.com/openxla/xla/archive'
+        ],
+        'checksums': [
+            {'jaxlib-v0.4.25.tar.gz':
+             'fc1197c401924942eb14185a61688d0c476e3e81ff71f9dc95e620b57c06eec8'},
+            {'xla-4ccfe33c71665ddcbca5b127fefe8baa3ed632d4.tar.gz':
+             '8a59b9af7d0850059d7043f7043c780066d61538f3af536e8a10d3d717f35089'},
+            {'tf_runtime-0aeefb1660d7e37964b2bb71b1f518096bda9a25.tar.gz':
+             'a3df827d7896774cb1d80bf4e1c79ab05c268f29bd4d3db1fb5a4b9c2079d8e3'},
+        ],
+        'start_dir': 'jax-jaxlib-v%(version)s',
+        'buildopts': local_repo_opt
+    }),
+]
+
+exts_list = [
+    (name, version, {
+        'patches': ['jax-0.4.25_fix_env_test_no_log_spam.patch'],
+        'runtest': local_test,
+        'source_tmpl': '%(name)s-v%(version)s.tar.gz',
+        'source_urls': ['https://github.com/google/jax/archive/'],
+        'checksums': [
+            {'jax-v0.4.25.tar.gz': '8b30af49688c0c13b82c6f5ce992727c00b5fc6d04a4c6962012f4246fa664eb'},
+            {'jax-0.4.25_fix_env_test_no_log_spam.patch':
+             'a18b5f147569d9ad41025124333a0f04fd0d0e0f9e4309658d7f6b9b838e2e2a'},
+        ],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'tools'

easybuild/easyconfigs/j/jax/jax-0.4.25_fix_env_test_no_log_spam.patch

@@ -0,0 +1,18 @@
+# Thomas Hoffmann, EMBL Heidelberg, [email protected], 2024/03
+# avoid overriding LD_LIBRARY_PATH, which would lead to test error: error while loading shared libraries: libpython3.11.so.1.0: cannot open shared object file: No such file or directory'
+diff -ru jax-jax-v0.4.25/tests/logging_test.py jax-jax-v0.4.25_fix_env_test_no_log_spam/tests/logging_test.py
+--- jax-jax-v0.4.25/tests/logging_test.py	2024-02-24 19:25:17.000000000 +0100
++++ jax-jax-v0.4.25_fix_env_test_no_log_spam/tests/logging_test.py	2024-03-15 12:00:34.133022613 +0100
+@@ -72,8 +72,11 @@
+     python = sys.executable
+     assert "python" in python
+     # Make sure C++ logging is at default level for the test process.
++    import os
++    tmp_env=os.environ.copy()
++    tmp_env['TF_CPP_MIN_LOG_LEVEL']='1'
+     proc = subprocess.run([python, "-c", program], capture_output=True,
+-                          env={"TF_CPP_MIN_LOG_LEVEL": "1"})
++                          env=tmp_env)
+
+     lines = proc.stdout.split(b"\n")
+     lines.extend(proc.stderr.split(b"\n"))

easybuild/easyconfigs/m/ml_dtypes/ml_dtypes-0.3.2-foss-2023a.eb

@@ -0,0 +1,51 @@
+# Thomas Hoffmann, EMBL Heidelberg, [email protected], 2024/02
+easyblock = 'PythonBundle'
+
+name = 'ml_dtypes'
+version = '0.3.2'
+
+homepage = 'https://github.com/jax-ml/ml_dtypes'
+description = """
+ml_dtypes is a stand-alone implementation of several NumPy dtype extensions used
+in machine learning libraries, including:
+
+bfloat16: an alternative to the standard float16 format
+float8_*: several experimental 8-bit floating point representations including:
+float8_e4m3b11fnuz
+float8_e4m3fn
+float8_e4m3fnuz
+float8_e5m2
+float8_e5m2fnuz
+"""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+]
+
+
+use_pip = True
+
+default_easyblock = 'PythonPackage'
+
+exts_list = [
+    ('opt_einsum', '3.3.0', {
+        'checksums': ['59f6475f77bbc37dcf7cd748519c0ec60722e91e63ca114e68821c0c54a46549'],
+    }),
+    ('etils', '1.6.0', {
+        'checksums': ['c635fbd02a79fed4ad76825d31306b581d22b40671721daa8bc279cf6333e48a'],
+    }),
+    (name, version, {
+        'patches': [('ml_dtypes-0.3.2_EigenAvx512.patch', 1)],
+        'checksums': [
+            {'ml_dtypes-0.3.2.tar.gz': '533059bc5f1764fac071ef54598db358c167c51a718f68f5bb55e3dee79d2967'},
+            {'ml_dtypes-0.3.2_EigenAvx512.patch': '197b05b0b7f611749824369f026099f6a172f9e8eab6ebb6504a16573746c892'},
+        ],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'tools'