diff --git a/Golden_Repo/h/HDF5/HDF5-1.12.2-gompi-2022a.eb b/Golden_Repo/h/HDF5/HDF5-1.12.2-gompi-2022a.eb index f29582e64c208ef4afc3e095157e1ddfc15a2bd9..a933e8e52ce9c5d96d64d087df3990a5f4c78c3f 100644 --- a/Golden_Repo/h/HDF5/HDF5-1.12.2-gompi-2022a.eb +++ b/Golden_Repo/h/HDF5/HDF5-1.12.2-gompi-2022a.eb @@ -12,6 +12,8 @@ toolchainopts = {'pic': True, 'usempi': True} source_urls = [ 'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src'] + + sources = [SOURCELOWER_TAR_GZ] checksums = ['2a89af03d56ce7502dcae18232c241281ad1773561ec00c0f0e8ee2463910f14'] diff --git a/Golden_Repo/h/h5py/h5py-3.7.0-foss-2022a.eb b/Golden_Repo/h/h5py/h5py-3.7.0-foss-2022a.eb new file mode 100644 index 0000000000000000000000000000000000000000..78e1a29dbb68cf8647e8338176e3f00e247cc690 --- /dev/null +++ b/Golden_Repo/h/h5py/h5py-3.7.0-foss-2022a.eb @@ -0,0 +1,35 @@ +easyblock = 'PythonPackage' + +name = 'h5py' +version = '3.7.0' + +homepage = 'https://www.h5py.org/' +description = """HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library, + version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous + amounts of data.""" + +toolchain = {'name': 'foss', 'version': '2022a'} +toolchainopts = {'usempi': True} + +sources = [SOURCE_TAR_GZ] +checksums = ['3fcf37884383c5da64846ab510190720027dca0768def34dd8dcb659dbe5cbf3'] + +builddependencies = [('pkgconfig', '1.5.5', '-python')] + +dependencies = [ + ('Python', '3.10.4'), + ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')), + ('HDF5', '1.12.2'), + ('mpi4py', '3.1.4'), +] + +use_pip = True +sanity_pip_check = True +download_dep_fail = True + +# h5py's setup.py will disable setup_requires if H5PY_SETUP_REQUIRES is set to 0 +# without this environment variable, pip will fetch the minimum numpy version h5py supports during install, +# even though SciPy-bundle provides a newer version that satisfies h5py's install_requires dependency. +preinstallopts = 'HDF5_MPI=ON HDF5_DIR="$EBROOTHDF5" H5PY_SETUP_REQUIRES=0 ' + +moduleclass = 'data' diff --git a/Golden_Repo/i/imageio/imageio-2.22.2-foss-2022a.eb b/Golden_Repo/i/imageio/imageio-2.22.2-foss-2022a.eb new file mode 100644 index 0000000000000000000000000000000000000000..76b4a5088dbd9cb3391e8f5d8d8b12471948edec --- /dev/null +++ b/Golden_Repo/i/imageio/imageio-2.22.2-foss-2022a.eb @@ -0,0 +1,25 @@ +easyblock = 'PythonPackage' + +name = 'imageio' +version = '2.22.2' + +homepage = 'https://imageio.github.io' +description = """Imageio is a Python library that provides an easy interface to read and write a wide range of + image data, including animated images, video, volumetric data, and scientific formats.""" + +toolchain = {'name': 'foss', 'version': '2022a'} + +sources = [SOURCE_TAR_GZ] +checksums = ['db7010cd10712518819a4187baf61b05988361ea20c23e829918727b27acb977'] + +dependencies = [ + ('Python', '3.10.4'), + ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')), + ('Pillow-SIMD', '9.2.0'), +] + +download_dep_fail = True +use_pip = True +sanity_pip_check = True + +moduleclass = 'vis' diff --git a/Golden_Repo/m/mpi4py/mpi4py-3.1.4-gompi-2022a.eb b/Golden_Repo/m/mpi4py/mpi4py-3.1.4-gompi-2022a.eb new file mode 100644 index 0000000000000000000000000000000000000000..45422248566faa49f99085ba3827630787cf7b68 --- /dev/null +++ b/Golden_Repo/m/mpi4py/mpi4py-3.1.4-gompi-2022a.eb @@ -0,0 +1,24 @@ +easyblock = 'PythonPackage' + +name = 'mpi4py' +version = '3.1.4' + +homepage = 'https://bitbucket.org/mpi4py/mpi4py' +description = """MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for + the Python programming language, allowing any Python program to exploit multiple processors. +""" + +toolchain = {'name': 'gompi', 'version': '2022a'} + +source_urls = ['https://github.com/%(name)s/%(name)s/archive/'] +sources = ['%(version)s.tar.gz'] +checksums = ['0ac7cc1fbd1d026b519c4f439ffc15d8776e5615c262dd233a418d73539c352b'] + +dependencies = [('Python', '3.10.4')] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python%(pyshortver)s/site-packages/mpi4py'], +} + +moduleclass = 'lib' diff --git a/Golden_Repo/p/PyTorch-Geometric/PyTorch-Geometric-2.1.0-foss-2022a-PyTorch-1.12.1-CUDA-11.7.eb b/Golden_Repo/p/PyTorch-Geometric/PyTorch-Geometric-2.1.0-foss-2022a-PyTorch-1.12.1-CUDA-11.7.eb new file mode 100644 index 0000000000000000000000000000000000000000..b8e62b72cb44515f5918896c717ae2948aa54e8f --- /dev/null +++ b/Golden_Repo/p/PyTorch-Geometric/PyTorch-Geometric-2.1.0-foss-2022a-PyTorch-1.12.1-CUDA-11.7.eb @@ -0,0 +1,60 @@ +easyblock = 'PythonBundle' + +name = 'PyTorch-Geometric' +version = '2.1.0' +local_pytorchver = '1.12.0' +versionsuffix = '-PyTorch-%s-CUDA-%%(cudaver)s' % local_pytorchver + +homepage = 'https://github.com/rusty1s/pytorch_geometric' +description = "PyTorch Geometric (PyG) is a geometric deep learning extension library for PyTorch." + +toolchain = {'name': 'foss', 'version': '2022a'} + +dependencies = [ + ('Python', '3.10.4'), + ('CUDA', '11.7', '', SYSTEM), + ('PyTorch', local_pytorchver, '-CUDA-%(cudaver)s'), + ('scikit-learn', '1.1.2'), + ('scikit-image', '0.19.3'), + ('numba', '0.56.4', '-CUDA-%(cudaver)s'), + ('h5py', '3.7.0'), + ('tqdm', '4.64.0'), + ('RDFlib', '6.2.0'), + ('ASE', '3.22.1'), + ('YACS', '0.1.8'), +] + +use_pip = True + +exts_list = [ + ('googledrivedownloader', '0.4', { + 'modulename': 'google_drive_downloader', + 'checksums': ['4b34c1337b2ff3bf2bd7581818efbdcaea7d50ffd484ccf80809688f5ca0e204'], + }), + ('plyfile', '0.7.4', { + 'checksums': ['9e9a18d22a3158fcd74df38761d43a7facc6df75126f2ab9f4e9a5d4d2188652'], + }), + ('torch_scatter', version, { + 'checksums': ['3a7124c2a033552febbdc72407f7d4d8cb6dce465720e84ab831512e81c1d208'], + }), + ('torch_sparse', '0.6.15', { + 'checksums': ['3a741ae8a7cc19247a44de549fa4d593c4257b5f741e1eb5110b712a14209dd9'], + }), + ('torch_cluster', '1.6.0', { + 'checksums': ['249c1bd8c33a887b22bf569a59d0868545804032123594dd8c76ba1885859c39'], + }), + ('torch_spline_conv', '1.2.1', { + 'checksums': ['364f658e0ecb4c5263a728c2961553e022fc44c11a633d5a1bf986cf169ab438'], + }), + ('python-louvain', '0.16', { + 'modulename': 'community.community_louvain', + 'checksums': ['b7ba2df5002fd28d3ee789a49532baad11fe648e4f2117cf0798e7520a1da56b'], + }), + ('torch_geometric', version, { + 'checksums': ['72653deca925885e4d613eb5c72268bb9710325d9c717516922499fbe1197079'], + }), +] + +sanity_pip_check = True + +moduleclass = 'lib' diff --git a/Golden_Repo/r/RDFlib/RDFlib-6.2.0-GCCcore-11.3.0.eb b/Golden_Repo/r/RDFlib/RDFlib-6.2.0-GCCcore-11.3.0.eb new file mode 100644 index 0000000000000000000000000000000000000000..d602151be5a06afd472338bff5a42ec423dabe31 --- /dev/null +++ b/Golden_Repo/r/RDFlib/RDFlib-6.2.0-GCCcore-11.3.0.eb @@ -0,0 +1,29 @@ +easyblock = 'PythonBundle' + +name = 'RDFlib' +version = '6.2.0' + +homepage = 'https://github.com/RDFLib/rdflib' +description = """RDFLib is a Python library for working with RDF, a simple yet powerful language + for representing information.""" + +toolchain = {'name': 'GCCcore', 'version': '11.3.0'} + +builddependencies = [('binutils', '2.38')] + +dependencies = [('Python', '3.10.4')] + +use_pip = True + +exts_list = [ + ('isodate', '0.6.1', { + 'checksums': ['48c5881de7e8b0a0d648cb024c8062dc84e7b840ed81e864c7614fd3c127bde9'], + }), + ('rdflib', version, { + 'checksums': ['62dc3c86d1712db0f55785baf8047f63731fa59b2682be03219cb89262065942'], + }), +] + +sanity_pip_check = True + +moduleclass = 'lib' diff --git a/Golden_Repo/s/scikit-image/scikit-image-0.19.3-foss-2022a.eb b/Golden_Repo/s/scikit-image/scikit-image-0.19.3-foss-2022a.eb new file mode 100644 index 0000000000000000000000000000000000000000..d0f19c038b4264631acf12b9692cbbf47cd282d7 --- /dev/null +++ b/Golden_Repo/s/scikit-image/scikit-image-0.19.3-foss-2022a.eb @@ -0,0 +1,43 @@ +easyblock = 'PythonBundle' + +name = 'scikit-image' +version = '0.19.3' + +homepage = 'https://scikit-image.org/' +description = "scikit-image is a collection of algorithms for image processing." + +toolchain = {'name': 'foss', 'version': '2022a'} + +dependencies = [ + ('Python', '3.10.4'), + ('matplotlib', '3.5.2', '', ('gcccoremkl', '11.3.0-2022.1.0')), + ('Pillow-SIMD', '9.2.0'), + ('networkx', '2.8.4', '', ('gcccoremkl', '11.3.0-2022.1.0')), + ('dask', '2022.10.2', '', ('gcccoremkl', '11.3.0-2022.1.0')), + ('imageio', '2.22.2'), +] + +use_pip = True +sanity_pip_check = True + +exts_list = [ + ('PyWavelets', '1.4.1', { + 'modulename': 'pywt', + 'checksums': ['6437af3ddf083118c26d8f97ab43b0724b956c9f958e9ea788659f6a2834ba93'], + }), + ('imread', '0.7.4', { + 'checksums': ['0487adef11a22168700968c1727020361a72f6132b6ced2b8826b02d8cbf744f'], + }), + ('pooch', '1.6.0', { + 'checksums': ['57d20ec4b10dd694d2b05bb64bc6b109c6e85a6c1405794ce87ed8b341ab3f44'], + }), + ('tifffile', '2022.10.10', { + 'checksums': ['50b61ba943b866d191295bc38a00191c9fdab23ece063544c7f1a264e3f6aa8e'], + }), + (name, version, { + 'modulename': 'skimage', + 'checksums': ['24b5367de1762da6ee126dd8f30cc4e7efda474e0d7d70685433f0e3aa2ec450'], + }), +] + +moduleclass = 'vis' diff --git a/Golden_Repo/s/scikit-learn/scikit-learn-1.1.2-foss-2022a.eb b/Golden_Repo/s/scikit-learn/scikit-learn-1.1.2-foss-2022a.eb new file mode 100644 index 0000000000000000000000000000000000000000..a2a04fa2ba1d6533415dad716ab243dc9ff95743 --- /dev/null +++ b/Golden_Repo/s/scikit-learn/scikit-learn-1.1.2-foss-2022a.eb @@ -0,0 +1,32 @@ +easyblock = 'PythonBundle' + +name = 'scikit-learn' +version = '1.1.2' + +homepage = 'https://scikit-learn.org/stable/index.html' +description = """Scikit-learn integrates machine learning algorithms in the tightly-knit scientific Python world, +building upon numpy, scipy, and matplotlib. As a machine-learning module, +it provides versatile tools for data mining and analysis in any field of science and engineering. +It strives to be simple and efficient, accessible to everybody, and reusable in various contexts.""" + +toolchain = {'name': 'foss', 'version': '2022a'} + +dependencies = [ + ('Python', '3.10.4'), + ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')), +] + +use_pip = True +sanity_pip_check = True + +exts_list = [ + (name, version, { + 'modulename': 'sklearn', + 'checksums': ['7c22d1305b16f08d57751a4ea36071e2215efb4c09cb79183faa4e8e82a3dbf8'], + }), + ('sklearn', '0.0', { + 'checksums': ['e23001573aa194b834122d2b9562459bf5ae494a2d59ca6b8aa22c85a44c0e31'], + }), +] + +moduleclass = 'data'