From 30fb098f83d3a8c223824ddc9673faa775ca017d Mon Sep 17 00:00:00 2001 From: Lukas Krupcik Date: Tue, 26 Nov 2024 09:39:27 +0100 Subject: [PATCH] new file: c/cuDNN/cuDNN-8.9.7.29-CUDA-12.4.0.eb new file: d/dftd3-lib/dftd3-lib-0.9.2-GCC-12.3.0.eb new file: f/fypp/fypp-3.2-foss-2023a.eb new file: p/PyTorch/PyTorch-2.4.1-foss-2023b-CUDA-12.4.0.eb new file: t/tblite/tblite-0.3.0-foss-2023a.eb new file: t/tblite/tblite-0.4.0-foss-2023a.eb --- c/cuDNN/cuDNN-8.9.7.29-CUDA-12.4.0.eb | 43 ++++ d/dftd3-lib/dftd3-lib-0.9.2-GCC-12.3.0.eb | 43 ++++ f/fypp/fypp-3.2-foss-2023a.eb | 28 ++ .../PyTorch-2.4.1-foss-2023b-CUDA-12.4.0.eb | 243 ++++++++++++++++++ t/tblite/tblite-0.3.0-foss-2023a.eb | 26 ++ t/tblite/tblite-0.4.0-foss-2023a.eb | 26 ++ 6 files changed, 409 insertions(+) create mode 100644 c/cuDNN/cuDNN-8.9.7.29-CUDA-12.4.0.eb create mode 100644 d/dftd3-lib/dftd3-lib-0.9.2-GCC-12.3.0.eb create mode 100644 f/fypp/fypp-3.2-foss-2023a.eb create mode 100644 p/PyTorch/PyTorch-2.4.1-foss-2023b-CUDA-12.4.0.eb create mode 100644 t/tblite/tblite-0.3.0-foss-2023a.eb create mode 100644 t/tblite/tblite-0.4.0-foss-2023a.eb diff --git a/c/cuDNN/cuDNN-8.9.7.29-CUDA-12.4.0.eb b/c/cuDNN/cuDNN-8.9.7.29-CUDA-12.4.0.eb new file mode 100644 index 00000000..126bac76 --- /dev/null +++ b/c/cuDNN/cuDNN-8.9.7.29-CUDA-12.4.0.eb @@ -0,0 +1,43 @@ +# IT4Innovations +# PH 2024 + +name = 'cuDNN' +version = '8.9.7.29' +versionsuffix = '-CUDA-%(cudaver)s' +homepage = 'https://developer.nvidia.com/cudnn' +description = """The NVIDIA CUDA Deep Neural Network library (cuDNN) is +a GPU-accelerated library of primitives for deep neural networks.""" + +toolchain = SYSTEM + +# note: cuDNN is tied to specific to CUDA versions, +# see also https://docs.nvidia.com/deeplearning/cudnn/support-matrix/index.html#cudnn-cuda-hardware-versions +local_short_ver = '.'.join(version.split('.')[:3]) +local_cuda_major = '12' + +source_urls = [ + 'https://developer.download.nvidia.com/compute/cudnn/redist/cudnn/linux-%(cudnnarch)s/' +] +sources = ['%%(namelower)s-linux-%%(cudnnarch)s-%%(version)s_cuda%s-archive.tar.xz' % local_cuda_major] +checksums = [{ + '%%(namelower)s-linux-ppc64le-%%(version)s_cuda%s-archive.tar.xz' % local_cuda_major: + '8574d291b299f9cc0134304473c9933bd098cc717e8d0876f4aba9f9eebe1b76', + '%%(namelower)s-linux-sbsa-%%(version)s_cuda%s-archive.tar.xz' % local_cuda_major: + 'e98b7c80010785e5d5ca01ee4ce9b5b0c8c73587ea6f8648be34d3f8d1d47bd1', + '%%(namelower)s-linux-x86_64-%%(version)s_cuda%s-archive.tar.xz' % local_cuda_major: + '475333625c7e42a7af3ca0b2f7506a106e30c93b1aa0081cd9c13efb6e21e3bb', +}] + +dependencies = [('CUDA', '12.4.0')] + +sanity_check_paths = { + 'files': [ + 'include/cudnn.h', 'lib64/libcudnn_adv_infer_static.a', 'lib64/libcudnn_adv_train_static.a', + 'lib64/libcudnn_cnn_infer_static.a', 'lib64/libcudnn_cnn_train_static.a', + 'lib64/libcudnn_ops_infer_static.a', 'lib64/libcudnn_ops_train_static.a', + 'lib64/libcudnn.%s' % SHLIB_EXT + ], + 'dirs': ['include', 'lib64'], +} + +moduleclass = 'numlib' diff --git a/d/dftd3-lib/dftd3-lib-0.9.2-GCC-12.3.0.eb b/d/dftd3-lib/dftd3-lib-0.9.2-GCC-12.3.0.eb new file mode 100644 index 00000000..b13c3dde --- /dev/null +++ b/d/dftd3-lib/dftd3-lib-0.9.2-GCC-12.3.0.eb @@ -0,0 +1,43 @@ +# IT4Innovations +# PH 2024 + +easyblock = 'MakeCp' + +name = 'dftd3-lib' +version = '0.9.2' + +homepage = 'https://github.com/dftbplus/dftd3-lib' +description = """This is a repackaged version of the DFTD3 program by S. Grimme and his coworkers. +The original program (V3.1 Rev 1) was downloaded at 2016-04-03. It has been +converted to free format and encapsulated into modules.""" + +toolchain = {'name': 'GCC', 'version': '12.3.0'} +toolchainopts = {'pic': True} + +github_account = 'dftbplus' +source_urls = [GITHUB_SOURCE] +sources = ['%(version)s.tar.gz'] +patches = ['dftd3-lib-%(version)s_fix-extras-syntax.patch'] +checksums = [ + '4178f3cf2f3e7e982a7084ec66bac92b4fdf164537d9fc0ada840a11b784f0e0', + # 'db61bc6c7c699628e8c5bf2018ea38de03a53eac38014e06845829d765caf6bb', + '717e719170258544555bfc33390a70c2573d971c6548d8f2c951a5606ec77f74', +] + +parallel = 1 + +buildopts = 'FC="$FC" FCFLAGS="$FCFLAGS" LNFLAGS="$LDFLAGS"' + +files_to_copy = [ + (['prg/dftd3', 'test/testapi'], 'bin'), + (['lib/libdftd3.a'], 'lib'), + (['lib/*.mod', 'prg/*.mod'], 'include'), + (['doc/man.pdf', 'CHANGELOG.rst', 'LICENSE', 'README.rst'], 'share'), +] + +sanity_check_paths = { + 'files': ['bin/dftd3', 'bin/testapi', 'lib/libdftd3.a'], + 'dirs': ['include', 'share'], +} + +moduleclass = 'chem' diff --git a/f/fypp/fypp-3.2-foss-2023a.eb b/f/fypp/fypp-3.2-foss-2023a.eb new file mode 100644 index 00000000..f57d968f --- /dev/null +++ b/f/fypp/fypp-3.2-foss-2023a.eb @@ -0,0 +1,28 @@ +# IT4Innovations +# PH 2024 + +easyblock = 'PythonPackage' + +name = 'fypp' +version = '3.2' + +homepage = 'https://github.com/aradi/fypp' +description = """Fypp is a Python-based preprocessor for Fortran, enabling conditional +compilation and template metaprogramming with Python expressions. It enhances Fortran +development by allowing flexible macros, file inclusion, and conditional output.""" + +# https://github.com/aradi/fypp/archive/refs/tags/3.2.tar.gz +source_urls = ['https://github.com/aradi/fypp/archive/refs/tags/'] +sources = [f'{version}.tar.gz'] +checksums = ['33f48c8d2337db539865265ce33c7c50e4d521aacbd31ac7b7e8b189d771ce1d'] + +toolchain = {'name': 'foss', 'version': '2023a'} + +dependencies = [ + ('Python', '3.11.3') +] + +use_pip = True + + +moduleclass = 'lib' \ No newline at end of file diff --git a/p/PyTorch/PyTorch-2.4.1-foss-2023b-CUDA-12.4.0.eb b/p/PyTorch/PyTorch-2.4.1-foss-2023b-CUDA-12.4.0.eb new file mode 100644 index 00000000..728b629a --- /dev/null +++ b/p/PyTorch/PyTorch-2.4.1-foss-2023b-CUDA-12.4.0.eb @@ -0,0 +1,243 @@ +# IT4Innovations +# PH 2024 + +name = 'PyTorch' +version = '2.4.1' +versionsuffix = '-CUDA-%(cudaver)s' + +homepage = 'https://pytorch.org/' +description = """Tensors and Dynamic neural networks in Python with strong GPU acceleration. +PyTorch is a deep learning framework that puts Python first.""" + +toolchain = {'name': 'foss', 'version': '2023b'} + +source_urls = [GITHUB_RELEASE] +sources = ['%(namelower)s-v%(version)s.tar.gz'] +patches = [ + 'PyTorch-1.7.0_disable-dev-shm-test.patch', + #'PyTorch-1.11.1_skip-test_init_from_local_shards.patch', + 'PyTorch-1.12.1_add-hypothesis-suppression.patch', + #'PyTorch-1.12.1_fix-test_cpp_extensions_jit.patch', + 'PyTorch-1.12.1_fix-TestTorch.test_to.patch', + 'PyTorch-1.12.1_skip-test_round_robin.patch', + 'PyTorch-1.13.1_fix-gcc-12-warning-in-fbgemm.patch', + 'PyTorch-1.13.1_fix-protobuf-dependency.patch', + 'PyTorch-1.13.1_fix-warning-in-test-cpp-api.patch', + 'PyTorch-1.13.1_skip-failing-singular-grad-test.patch', + 'PyTorch-1.13.1_skip-tests-without-fbgemm.patch', + 'PyTorch-2.0.1_avoid-test_quantization-failures.patch', + 'PyTorch-2.0.1_fix-skip-decorators.patch', + 'PyTorch-2.0.1_fix-ub-in-inductor-codegen.patch', + 'PyTorch-2.0.1_fix-vsx-loadu.patch', + 'PyTorch-2.0.1_no-cuda-stubs-rpath.patch', + 'PyTorch-2.0.1_skip-failing-gradtest.patch', + 'PyTorch-2.0.1_skip-test_shuffle_reproducibility.patch', + 'PyTorch-2.0.1_skip-tests-skipped-in-subprocess.patch', + 'PyTorch-2.1.0_disable-gcc12-warning.patch', + 'PyTorch-2.1.0_disable-cudnn-tf32-for-too-strict-tests.patch', + 'PyTorch-2.1.0_fix-bufferoverflow-in-oneDNN.patch', + 'PyTorch-2.1.0_fix-test_numpy_torch_operators.patch', + 'PyTorch-2.1.0_fix-validationError-output-test.patch', + 'PyTorch-2.1.0_fix-vsx-vector-shift-functions.patch', + 'PyTorch-2.1.0_increase-tolerance-functorch-test_vmapvjpvjp.patch', + 'PyTorch-2.1.0_remove-sparse-csr-nnz-overflow-test.patch', + 'PyTorch-2.1.0_remove-test-requiring-online-access.patch', + 'PyTorch-2.1.0_skip-diff-test-on-ppc.patch', + 'PyTorch-2.1.0_skip-dynamo-test_predispatch.patch', + 'PyTorch-2.1.0_skip-test_jvp_linalg_det_singular.patch', + 'PyTorch-2.1.0_skip-test_linear_fp32-without-MKL.patch', + 'PyTorch-2.1.0_skip-test_wrap_bad.patch', + 'PyTorch-2.1.2_add-cuda-skip-markers.patch', + 'PyTorch-2.1.2_fix-conj-mismatch-test-failures.patch', + 'PyTorch-2.1.2_fix-device-mesh-check.patch', + 'PyTorch-2.1.2_fix-locale-issue-in-nvrtcCompileProgram.patch', + 'PyTorch-2.1.2_fix-test_extension_backend-without-vectorization.patch', + 'PyTorch-2.1.2_fix-test_memory_profiler.patch', + 'PyTorch-2.1.2_fix-test_torchinductor-rounding.patch', + 'PyTorch-2.1.2_fix-vsx-vector-abs.patch', + 'PyTorch-2.1.2_fix-vsx-vector-div.patch', + 'PyTorch-2.1.2_fix-with_temp_dir-decorator.patch', + 'PyTorch-2.1.2_fix-wrong-device-mesh-size-in-tests.patch', + 'PyTorch-2.1.2_relax-cuda-tolerances.patch', + 'PyTorch-2.1.2_remove-nccl-backend-default-without-gpus.patch', + 'PyTorch-2.1.2_skip-cpu_repro-test-without-vectorization.patch', + 'PyTorch-2.1.2_skip-failing-test_dtensor_ops-subtests.patch', + 'PyTorch-2.1.2_skip-memory-leak-test.patch', + 'PyTorch-2.1.2_skip-test_fsdp_tp_checkpoint_integration.patch', + 'PyTorch-2.1.2_workaround_dynamo_failure_without_nnpack.patch', +] +checksums = [ + {'pytorch-v2.4.1.tar.gz': '39666a43c0c10f5fd46c1a7ca95dc74d3bc39de2678b70066481cbf02e58384f'}, + {'PyTorch-1.7.0_disable-dev-shm-test.patch': '622cb1eaeadc06e13128a862d9946bcc1f1edd3d02b259c56a9aecc4d5406b8a'}, + #{'PyTorch-1.11.1_skip-test_init_from_local_shards.patch': + # '4aeb1b0bc863d4801b0095cbce69f8794066748f0df27c6aaaf729c5ecba04b7'}, + {'PyTorch-1.12.1_add-hypothesis-suppression.patch': + 'e71ffb94ebe69f580fa70e0de84017058325fdff944866d6bd03463626edc32c'}, + #{'PyTorch-1.12.1_fix-test_cpp_extensions_jit.patch': + # '1efc9850c431d702e9117d4766277d3f88c5c8b3870997c9974971bce7f2ab83'}, + {'PyTorch-1.12.1_fix-TestTorch.test_to.patch': '75f27987c3f25c501e719bd2b1c70a029ae0ee28514a97fe447516aee02b1535'}, + {'PyTorch-1.12.1_skip-test_round_robin.patch': '63d4849b78605aa088fdff695637d9473ea60dee603a3ff7f788690d70c55349'}, + {'PyTorch-1.13.1_fix-gcc-12-warning-in-fbgemm.patch': + '5c7be91a6096083a0b1315efe0001537499c600f1f569953c6a2c7f4cc1d0910'}, + {'PyTorch-1.13.1_fix-protobuf-dependency.patch': + '8bd755a0cab7233a243bc65ca57c9630dfccdc9bf8c9792f0de4e07a644fcb00'}, + {'PyTorch-1.13.1_fix-warning-in-test-cpp-api.patch': + 'bdde0f2105215c95a54de64ec4b1a4520528510663174fef6d5b900eb1db3937'}, + {'PyTorch-1.13.1_skip-failing-singular-grad-test.patch': + '72688a57b2bb617665ad1a1d5e362c5111ae912c10936bb38a089c0204729f48'}, + {'PyTorch-1.13.1_skip-tests-without-fbgemm.patch': + '481e595f673baf8ae58b41697a6792b83048b0264aa79b422f48cd8c22948bb7'}, + {'PyTorch-2.0.1_avoid-test_quantization-failures.patch': + '02e3f47e4ed1d7d6077e26f1ae50073dc2b20426269930b505f4aefe5d2f33cd'}, + {'PyTorch-2.0.1_fix-skip-decorators.patch': '2039012cef45446065e1a2097839fe20bb29fe3c1dcc926c3695ebf29832e920'}, + {'PyTorch-2.0.1_fix-ub-in-inductor-codegen.patch': + '1b37194f55ae678f3657b8728dfb896c18ffe8babe90987ce468c4fa9274f357'}, + {'PyTorch-2.0.1_fix-vsx-loadu.patch': 'a0ffa61da2d47c6acd09aaf6d4791e527d8919a6f4f1aa7ed38454cdcadb1f72'}, + {'PyTorch-2.0.1_no-cuda-stubs-rpath.patch': '8902e58a762240f24cdbf0182e99ccdfc2a93492869352fcb4ca0ec7e407f83a'}, + {'PyTorch-2.0.1_skip-failing-gradtest.patch': '8030bdec6ba49b057ab232d19a7f1a5e542e47e2ec340653a246ec9ed59f8bc1'}, + {'PyTorch-2.0.1_skip-test_shuffle_reproducibility.patch': + '7047862abc1abaff62954da59700f36d4f39fcf83167a638183b1b7f8fec78ae'}, + {'PyTorch-2.0.1_skip-tests-skipped-in-subprocess.patch': + '166c134573a95230e39b9ea09ece3ad8072f39d370c9a88fb2a1e24f6aaac2b5'}, + {'PyTorch-2.1.0_disable-gcc12-warning.patch': 'c858b8db0010f41005dc06f9a50768d0d3dc2d2d499ccbdd5faf8a518869a421'}, + {'PyTorch-2.1.0_disable-cudnn-tf32-for-too-strict-tests.patch': + 'd895018ebdfd46e65d9f7645444a3b4c5bbfe3d533a08db559a04be34e01e478'}, + {'PyTorch-2.1.0_fix-bufferoverflow-in-oneDNN.patch': + 'b15b1291a3c37bf6a4982cfbb3483f693acb46a67bc0912b383fd98baf540ccf'}, + {'PyTorch-2.1.0_fix-test_numpy_torch_operators.patch': + '84bb51a719abc677031a7a3dfe4382ff098b0cbd8b39b8bed2a7fa03f80ac1e9'}, + {'PyTorch-2.1.0_fix-validationError-output-test.patch': + '7eba0942afb121ed92fac30d1529447d892a89eb3d53c565f8e9d480e95f692b'}, + {'PyTorch-2.1.0_fix-vsx-vector-shift-functions.patch': + '3793b4b878be1abe7791efcbd534774b87862cfe7dc4774ca8729b6cabb39e7e'}, + {'PyTorch-2.1.0_increase-tolerance-functorch-test_vmapvjpvjp.patch': + 'aef38adf1210d0c5455e91d7c7a9d9e5caad3ae568301e0ba9fc204309438e7b'}, + {'PyTorch-2.1.0_remove-sparse-csr-nnz-overflow-test.patch': + '0ac36411e76506b3354c85a8a1260987f66af947ee52ffc64230aee1fa02ea8b'}, + {'PyTorch-2.1.0_remove-test-requiring-online-access.patch': + '35184b8c5a1b10f79e511cc25db3b8a5585a5d58b5d1aa25dd3d250200b14fd7'}, + {'PyTorch-2.1.0_skip-diff-test-on-ppc.patch': '394157dbe565ffcbc1821cd63d05930957412156cc01e949ef3d3524176a1dda'}, + {'PyTorch-2.1.0_skip-dynamo-test_predispatch.patch': + '6298daf9ddaa8542850eee9ea005f28594ab65b1f87af43d8aeca1579a8c4354'}, + {'PyTorch-2.1.0_skip-test_jvp_linalg_det_singular.patch': + '5229ca88a71db7667a90ddc0b809b2c817698bd6e9c5aaabd73d3173cf9b99fe'}, + {'PyTorch-2.1.0_skip-test_linear_fp32-without-MKL.patch': + '5dcc79883b6e3ec0a281a8e110db5e0a5880de843bb05653589891f16473ead5'}, + {'PyTorch-2.1.0_skip-test_wrap_bad.patch': 'b8583125ee94e553b6f77c4ab4bfa812b89416175dc7e9b7390919f3b485cb63'}, + {'PyTorch-2.1.2_add-cuda-skip-markers.patch': 'd007d6d0cdb533e7d01f503e9055218760123a67c1841c57585385144be18c9a'}, + {'PyTorch-2.1.2_fix-conj-mismatch-test-failures.patch': + 'c164357efa4ce88095376e590ba508fc1daa87161e1e59544eda56daac7f2847'}, + {'PyTorch-2.1.2_fix-device-mesh-check.patch': 'c0efc288bf3d9a9a3c8bbd2691348a589a2677ea43880a8c987db91c8de4806b'}, + {'PyTorch-2.1.2_fix-locale-issue-in-nvrtcCompileProgram.patch': + 'f7adafb4e4d3b724b93237a259797b6ed6f535f83be0e34a7b759c71c6a8ddf2'}, + {'PyTorch-2.1.2_fix-test_extension_backend-without-vectorization.patch': + 'cd1455495886a7d6b2d30d48736eb0103fded21e2e36de6baac719b9c52a1c92'}, + {'PyTorch-2.1.2_fix-test_memory_profiler.patch': + '30b0c9355636c0ab3dedae02399789053825dc3835b4d7dac6e696767772b1ce'}, + {'PyTorch-2.1.2_fix-test_torchinductor-rounding.patch': + 'a0ef99192ee2ad1509c78a8377023d5be2b5fddb16f84063b7c9a0b53d979090'}, + {'PyTorch-2.1.2_fix-vsx-vector-abs.patch': 'd67d32407faed7dc1dbab4bba0e2f7de36c3db04560ced35c94caf8d84ade886'}, + {'PyTorch-2.1.2_fix-vsx-vector-div.patch': '11f497a6892eb49b249a15320e4218e0d7ac8ae4ce67de39e4a018a064ca1acc'}, + {'PyTorch-2.1.2_fix-with_temp_dir-decorator.patch': + '90bd001e034095329277d70c6facc4026b4ce6d7f8b8d6aa81c0176eeb462eb1'}, + {'PyTorch-2.1.2_fix-wrong-device-mesh-size-in-tests.patch': + '07a5e4233d02fb6348872838f4d69573c777899c6f0ea4e39ae23c08660d41e5'}, + {'PyTorch-2.1.2_relax-cuda-tolerances.patch': '554ad09787f61080fafdb84216e711e32327aa357e2a9c40bb428eb6503dee6e'}, + {'PyTorch-2.1.2_remove-nccl-backend-default-without-gpus.patch': + 'e6a1efe3d127fcbf4723476a7a1c01cfcf2ccb16d1fb250f478192623e8b6a15'}, + {'PyTorch-2.1.2_skip-cpu_repro-test-without-vectorization.patch': + '7ace835af60c58d9e0754a34c19d4b9a0c3a531f19e5d0eba8e2e49206eaa7eb'}, + {'PyTorch-2.1.2_skip-failing-test_dtensor_ops-subtests.patch': + '6cf711bf26518550903b09ed4431de9319791e79d61aab065785d6608fd5cc88'}, + {'PyTorch-2.1.2_skip-memory-leak-test.patch': '8d9841208e8a00a498295018aead380c360cf56e500ef23ca740adb5b36de142'}, + {'PyTorch-2.1.2_skip-test_fsdp_tp_checkpoint_integration.patch': + '943ee92f5fd518f608a59e43fe426b9bb45d7e7ad0ba04639e516db2d61fa57d'}, + {'PyTorch-2.1.2_workaround_dynamo_failure_without_nnpack.patch': + 'fb96eefabf394617bbb3fbd3a7a7c1aa5991b3836edc2e5d2a30e708bfe49ba1'}, +] + +osdependencies = [OS_PKG_IBVERBS_DEV] + +builddependencies = [ + ('CMake', '3.27.6'), + ('hypothesis', '6.90.0'), + # For tests + ('pytest-flakefinder', '1.1.0'), + ('pytest-rerunfailures', '14.0'), + ('pytest-shard', '0.1.2'), +] + +dependencies = [ + ('CUDA', '12.4.0', '', SYSTEM), + ('cuDNN', '8.9.7.29', '-CUDA-%(cudaver)s', SYSTEM), + ('magma', '2.7.2', '-CUDA-%(cudaver)s'), + ('NCCL', '2.20.5', '-CUDA-%(cudaver)s'), + ('Ninja', '1.11.1'), # Required for JIT compilation of C++ extensions + ('Python', '3.11.5'), + ('Python-bundle-PyPI', '2023.10'), + ('protobuf', '25.3'), + ('protobuf-python', '4.25.3'), + ('pybind11', '2.11.1'), + ('SciPy-bundle', '2023.11'), + ('PyYAML', '6.0.1'), + ('MPFR', '4.2.1'), + ('GMP', '6.3.0'), + ('numactl', '2.0.16'), + ('FFmpeg', '6.0'), + ('Pillow', '10.2.0'), + ('expecttest', '0.2.1'), + ('networkx', '3.2.1'), + ('sympy', '1.12'), + ('Z3', '4.13.0'), +] + +use_pip = True +buildcmd = '%(python)s setup.py build' # Run the (long) build in the build step + +excluded_tests = { + '': [ + # This test seems to take too long on NVIDIA Ampere at least. + 'distributed/test_distributed_spawn', + # Broken on CUDA 11.6/11.7: https://github.com/pytorch/pytorch/issues/75375 + 'distributions/test_constraints', + # no xdoctest + 'doctests', + # failing on broadwell + # See https://github.com/easybuilders/easybuild-easyconfigs/issues/17712 + 'test_native_mha', + # intermittent failures on various systems + # See https://github.com/easybuilders/easybuild-easyconfigs/issues/17712 + 'distributed/rpc/test_tensorpipe_agent', + # Broken test, can't ever succeed, see https://github.com/pytorch/pytorch/issues/122184 + 'distributed/tensor/parallel/test_tp_random_state', + # failures on OmniPath systems, which don't support some optional InfiniBand features + # See https://github.com/pytorch/tensorpipe/issues/413 + 'distributed/pipeline/sync/skip/test_gpipe', + 'distributed/pipeline/sync/skip/test_leak', + 'distributed/pipeline/sync/test_bugs', + 'distributed/pipeline/sync/test_inplace', + 'distributed/pipeline/sync/test_pipe', + 'distributed/pipeline/sync/test_transparency', + ] +} + +cuda_compute_capabilities = ['8.0'] # NVIDIA A100-SXM4-40GB, 8.0 + +runtest = 'cd test && PYTHONUNBUFFERED=1 %(python)s run_test.py --continue-through-error --verbose %(excluded_tests)s' + +# Especially test_quantization has a few corner cases that are triggered by the random input values, +# those cannot be easily avoided, see https://github.com/pytorch/pytorch/issues/107030 +# test_nn is also prone to spurious failures: https://github.com/pytorch/pytorch/issues/118294 +# So allow a low number of tests to fail as the tests "usually" succeed +max_failed_tests = 2 + +# The readelf sanity check command can be taken out once the TestRPATH test from +# https://github.com/pytorch/pytorch/pull/109493 is accepted, since it is then checked as part of the PyTorch test suite +local_libcaffe2 = "$EBROOTPYTORCH/lib/python%%(pyshortver)s/site-packages/torch/lib/libcaffe2_nvrtc.%s" % SHLIB_EXT +sanity_check_commands = [ + "readelf -d %s | egrep 'RPATH|RUNPATH' | grep -v stubs" % local_libcaffe2, +] + +tests = ['PyTorch-check-cpp-extension.py'] + +moduleclass = 'ai' diff --git a/t/tblite/tblite-0.3.0-foss-2023a.eb b/t/tblite/tblite-0.3.0-foss-2023a.eb new file mode 100644 index 00000000..f6c8408a --- /dev/null +++ b/t/tblite/tblite-0.3.0-foss-2023a.eb @@ -0,0 +1,26 @@ +# IT4Innovations +# PH 2024 + +easyblock = 'CMakeMake' + +name = 'tblite' +version = '0.3.0' + +homepage = 'http://www.example.com' +description = """This project is an effort to create a library implementation of the extended tight binding (xTB) Hamiltonian which can be shared between xtb and dftb+. The current state of this project should be considered as highly experimental.""" + +toolchain = {'name': 'foss', 'version': '2023a'} + +import os +if os.environ.get("CLUSTERNAME") in ["KAROLINA"]: + toolchainopts = {'optarch': 'march=core-avx2'} + +source_urls = ['https://github.com/tblite/tblite/archive/refs/tags/'] +sources = ['v%(version)s.tar.gz'] +checksums = ['44b6ecff94b29c109f7d1afa3f49eebd3979a2b115fc7bab0c9fc1d7e61bdc27'] + +builddependencies = [ + ('CMake', '3.26.3'), +] + +moduleclass = 'lib' diff --git a/t/tblite/tblite-0.4.0-foss-2023a.eb b/t/tblite/tblite-0.4.0-foss-2023a.eb new file mode 100644 index 00000000..6d26c2cd --- /dev/null +++ b/t/tblite/tblite-0.4.0-foss-2023a.eb @@ -0,0 +1,26 @@ +# IT4Innovations +# PH 2024 + +easyblock = 'CMakeMake' + +name = 'tblite' +version = '0.4.0' + +homepage = 'https://github.com/tblite/tblite' +description = """This project is an effort to create a library implementation of the extended tight binding (xTB) Hamiltonian which can be shared between xtb and dftb+. The current state of this project should be considered as highly experimental.""" + +toolchain = {'name': 'foss', 'version': '2023a'} + +import os +if os.environ.get("CLUSTERNAME") in ["KAROLINA"]: + toolchainopts = {'optarch': 'march=core-avx2'} + +source_urls = ['https://github.com/tblite/tblite/archive/refs/tags/'] +sources = ['v%(version)s.tar.gz'] +checksums = ['c4a67dfbe04827095fd7598183e076fa3017a5a475c4f90fd28e78992dc19ea7'] # tblite-0.4.0.tar.gz + +builddependencies = [ + ('CMake', '3.26.3'), +] + +moduleclass = 'lib'