Merge pull request #21141 from pavelToman/20240807125845_new_pr_synth…

…city0210

{lib}[foss/2022b] synthcity v0.2.10, DECAF-synthetic-data v0.1.6, PyTorch-Lightning v1.8.4, ... w/ PyTorch 1.13.1

easybuild/easyconfigs/d/DECAF-synthetic-data/DECAF-synthetic-data-0.1.6-foss-2022b.eb

@@ -0,0 +1,42 @@
+easyblock = 'PythonBundle'
+
+name = 'DECAF-synthetic-data'
+version = '0.1.6'
+
+homepage = 'https://github.com/vanderschaarlab/DECAF'
+description = """DEbiasing CAusal Fairness - 
+Generating Fair Synthetic Data Using Causally-Aware Generative Networks"""
+
+toolchain = {'name': 'foss', 'version': '2022b'}
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('SciPy-bundle', '2023.02'),
+    ('PyTorch-Lightning', '1.8.4'),
+    ('PyTorch', '1.13.1'),
+    ('XGBoost', '1.7.2'),
+    ('scikit-learn', '1.2.1'),
+    ('torchtext', '0.14.1', '-PyTorch-1.13.1'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('networkx', '2.8.8', {
+        'checksums': ['230d388117af870fce5647a3c52401fcf753e94720e6ea6b4197a5355648885e'],
+    }),
+    ('loguru', '0.7.2', {
+        'checksums': ['e671a53522515f34fd406340ee968cb9ecafbc4b36c679da03c18fd8d0bd51ac'],
+    }),
+    (name, version, {
+        'modulename': 'decaf',
+        'source_urls': ['https://github.com/vanderschaarlab/DECAF/archive/'],
+        'sources': [{'download_filename': 'v%(version)s.tar.gz', 'filename': SOURCE_TAR_GZ}],
+        'checksums': ['8f34e99937d2ccc43bff97b310c371c450e27313c0801cdd36aa91664c8e3180'],
+    }),
+]
+
+sanity_check_commands = ["python -c 'from decaf import DECAF, DataModule'"]
+
+moduleclass = 'bio'

easybuild/easyconfigs/f/fastai/fastai-2.7.15-foss-2022b.eb

@@ -0,0 +1,42 @@
+easyblock = 'PythonBundle'
+
+name = 'fastai'
+version = '2.7.15'
+
+homepage = 'https://www.fast.ai/'
+description = """The fastai deep learning library."""
+
+toolchain = {'name': 'foss', 'version': '2022b'}
+
+use_pip = True
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('PyTorch', '1.13.1'),
+    ('matplotlib', '3.7.0'),
+    ('SciPy-bundle', '2023.02'),
+    ('PyYAML', '6.0'),
+    ('Pillow', '9.4.0'),
+    ('scikit-learn', '1.2.1'),
+    ('spaCy', '3.7.4'),
+    ('torchvision', '0.14.1'),
+]
+
+exts_list = [
+    ('fastdownload', '0.0.7', {
+        'checksums': ['20507edb8e89406a1fbd7775e6e2a3d81a4dd633dd506b0e9cf0e1613e831d6a'],
+    }),
+    ('fastcore', '1.5.54', {
+        'checksums': ['3f23dfadd77428be99558fdad66bf04c79a9c626e694c7404ede816ed8372987'],
+    }),
+    ('fastprogress', '1.0.3', {
+        'checksums': ['7a17d2b438890f838c048eefce32c4ded47197ecc8ea042cecc33d3deb8022f5'],
+    }),
+    (name, version, {
+        'checksums': ['f2cc20fd18cdf5ec738cc56d29d54de75887d48ad15f9d35cf50c38d3a856923'],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'lib'

easybuild/easyconfigs/h/HF-Datasets/HF-Datasets-2.14.4-gfbf-2022b.eb

@@ -0,0 +1,44 @@
+easyblock = "PythonBundle"
+
+name = 'HF-Datasets'
+version = '2.14.4'
+
+homepage = 'https://github.com/huggingface/datasets'
+description = """
+The largest hub of ready-to-use datasets for ML models with fast, easy-to-use and efficient
+data manipulation tools.
+"""
+
+toolchain = {'name': 'gfbf', 'version': '2022b'}
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('SciPy-bundle', '2023.02'),
+    ('aiohttp', '3.8.5'),
+    ('dill', '0.3.7'),
+    ('Arrow', '11.0.0'),
+    ('PyYAML', '6.0'),
+    ('tqdm', '4.64.1'),
+    ('python-xxhash', '3.2.0'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('pyarrow_hotfix', '0.6', {
+        'checksums': ['79d3e030f7ff890d408a100ac16d6f00b14d44a502d7897cd9fc3e3a534e9945'],
+    }),
+    ('multiprocess', '0.70.15', {
+        'checksums': ['f20eed3036c0ef477b07a4177cf7c1ba520d9a2677870a4f47fe026f0cd6787e'],
+    }),
+    ('huggingface-hub', '0.15.1', {
+        'sources': ['huggingface_hub-%(version)s.tar.gz'],
+        'checksums': ['a61b7d1a7769fe10119e730277c72ab99d95c48d86a3d6da3e9f3d0f632a4081'],
+    }),
+    ('datasets', version, {
+        'checksums': ['ef29c2b5841de488cd343cfc26ab979bff77efa4d2285af51f1ad7db5c46a83b'],
+    }),
+]
+
+moduleclass = 'data'

easybuild/easyconfigs/i/imbalanced-learn/imbalanced-learn-0.12.3-gfbf-2022b.eb

@@ -0,0 +1,27 @@
+easyblock = 'PythonBundle'
+
+name = 'imbalanced-learn'
+version = '0.12.3'
+
+homepage = 'https://github.com/scikit-learn-contrib/imbalanced-learn'
+description = """imbalanced-learn is a Python package offering a number of re-sampling techniques commonly used in
+ datasets showing strong between-class imbalance."""
+
+toolchain = {'name': 'gfbf', 'version': '2022b'}
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('scikit-learn', '1.2.1'),
+]
+
+sanity_pip_check = True
+use_pip = True
+
+exts_list = [
+    (name, version, {
+        'modulename': 'imblearn',
+        'checksums': ['5b00796a01419e9102bd425e27c319d58d1f6cf2dfa751e02ed7f4edf67c3c1b'],
+    }),
+]
+
+moduleclass = 'tools'

easybuild/easyconfigs/l/lifelines/lifelines-0.27.7-foss-2022b.eb

@@ -0,0 +1,45 @@
+easyblock = 'PythonBundle'
+
+name = 'lifelines'
+version = '0.27.7'
+
+homepage = "https://lifelines.readthedocs.io/en/latest/"
+description = """lifelines is a complete survival analysis library, written in pure Python."""
+
+toolchain = {'name': 'foss', 'version': '2022b'}
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('SciPy-bundle', '2023.02'),
+    ('matplotlib', '3.7.0'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('wrapt', '1.16.0', {
+        'checksums': ['5f370f952971e7d17c7d1ead40e49f32345a7f7a5373571ef44d800d06b1899d'],
+    }),
+    ('astor', '0.8.1', {
+        'checksums': ['6a6effda93f4e1ce9f618779b2dd1d9d84f1e32812c23a29b3fff6fd7f63fa5e'],
+    }),
+    ('interface_meta', '1.3.0', {
+        'checksums': ['8a4493f8bdb73fb9655dcd5115bc897e207319e36c8835f39c516a2d7e9d79a1'],
+    }),
+    ('autograd', '1.6.2', {
+        'checksums': ['8731e08a0c4e389d8695a40072ada4512641c113b6cace8f4cfbe8eb7e9aedeb'],
+    }),
+    ('autograd-gamma', '0.5.0', {
+        'checksums': ['f27abb7b8bb9cffc8badcbf59f3fe44a9db39e124ecacf1992b6d952934ac9c4'],
+    }),
+    ('formulaic', '1.0.1', {
+        'checksums': ['64dd7992a7aa5bbceb1e40679d0f01fc6f0ba12b7d23d78094a88c2edc68fba1'],
+    }),
+    (name, version, {
+        'source_tmpl': '%(name)s-%(version)s-py3-none-any.whl',
+        'checksums': ['44d60171f5abe85506b55cdf754b4ba769f61a5f8f18a9d05491009c6cee5803'],
+    }),
+]
+
+moduleclass = 'bio'

easybuild/easyconfigs/o/Optuna/Optuna-3.5.0-foss-2022b.eb

@@ -0,0 +1,50 @@
+easyblock = 'PythonBundle'
+
+name = 'Optuna'
+version = '3.5.0'
+
+homepage = "https://optuna.org/"
+description = """Optuna is an automatic hyperparameter optimization software framework,
+particularly designed for machine learning. It features an imperative,
+define-by-run style user API. Thanks to our define-by-run API, the code written
+with Optuna enjoys high modularity, and the user of Optuna can dynamically
+construct the search spaces for the hyperparameters."""
+
+
+toolchain = {'name': 'foss', 'version': '2022b'}
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('PyYAML', '6.0'),
+    ('SciPy-bundle', '2023.02'),
+    ('tqdm', '4.64.1'),
+    ('matplotlib', '3.7.0'),  # optional
+    ('plotly.py', '5.13.1'),  # optional
+    ('redis-py', '5.0.1'),  # optional
+    ('scikit-learn', '1.2.1'),  # optional
+    ('SQLAlchemy', '2.0.29'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('cmaes', '0.10.0', {
+        'checksums': ['48afc70df027114739872b50489ae6b32461c307b92d084a63c7090a9742faf9'],
+    }),
+    ('colorlog', '6.8.0', {
+        'checksums': ['fbb6fdf9d5685f2517f388fb29bb27d54e8654dd31f58bc2a3b217e967a95ca6'],
+    }),
+    ('optuna', version, {
+        'use_pip_extras': 'optional',
+        'checksums': ['ca9e1ce16aa6c6a5af0e1cc1d0cbcd98eb1c75b6a2f06be6bd9c0c5ab0698724'],
+    }),
+]
+
+sanity_check_paths = {
+    'files': ['bin/optuna'],
+    'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+sanity_check_commands = [('optuna', '--help')]
+
+moduleclass = 'tools'

easybuild/easyconfigs/p/PyTorch-Lightning/PyTorch-Lightning-1.8.4-foss-2022b.eb

@@ -0,0 +1,121 @@
+easyblock = 'PythonBundle'
+
+name = 'PyTorch-Lightning'
+version = '1.8.4'
+
+homepage = 'https://pytorchlightning.ai'
+description = "PyTorch Lightning is the lightweight PyTorch wrapper for ML researchers."
+
+toolchain = {'name': 'foss', 'version': '2022b'}
+
+dependencies = [
+    ('Python', '3.10.8'),
+    # dependencies from requirements/app/base.txt
+    ('aiohttp', '3.8.5'),
+    ('BeautifulSoup', '4.11.1'),
+    ('deepdiff', '6.7.1'),
+    # dependencies from requirements/pytorch/base.txt
+    ('PyTorch', '1.13.1'),
+    ('tqdm', '4.64.1'),
+    ('tensorboardX', '2.6.2.2'),
+]
+
+use_pip = True
+
+# dependencies from requirements/app/base.txt and requirements/pytorch/base.txt
+exts_list = [
+    ('commonmark', '0.9.1', {
+        'checksums': ['452f9dc859be7f06631ddcb328b6919c67984aca654e5fefb3914d54691aed60'],
+    }),
+    ('rich', '12.5.1', {
+        'checksums': ['63a5c5ce3673d3d5fbbf23cd87e11ab84b6b451436f1b7f19ec54b6bc36ed7ca'],
+    }),
+    ('pydantic', '1.10.2', {
+        'checksums': ['91b8e218852ef6007c2b98cd861601c6a09f1aa32bbbb74fab5b1c33d4a1e410'],
+    }),
+    ('PyJWT', '2.6.0', {
+        'modulename': 'jwt',
+        'checksums': ['69285c7e31fc44f68a1feb309e948e0df53259d579295e6cfe2b1792329f05fd'],
+    }),
+    ('starlette', '0.19.1', {
+        'checksums': ['c6d21096774ecb9639acad41b86b7706e52ba3bf1dc13ea4ed9ad593d47e24c7'],
+    }),
+    ('fastapi', '0.79.1', {
+        'checksums': ['006862dec0f0f5683ac21fb0864af2ff12a931e7ba18920f28cc8eceed51896b'],
+    }),
+    ('sniffio', '1.3.0', {
+        'checksums': ['e60305c5e5d314f5389259b7f22aaa33d8f7dee49763119234af3755c55b9101'],
+    }),
+    ('anyio', '3.6.1', {
+        'checksums': ['413adf95f93886e442aea925f3ee43baa5a765a64a0f52c6081894f9992fdd0b'],
+    }),
+    ('websocket-client', '1.4.2', {
+        'modulename': 'websocket',
+        'checksums': ['d6e8f90ca8e2dd4e8027c4561adeb9456b54044312dba655e7cae652ceb9ae59'],
+    }),
+    ('lightning_cloud', '0.5.12', {
+        'checksums': ['5b0cf53ecfb512f9476eec3a7f425c0e174ca9d0e726673605d5e1e57074eb0c'],
+    }),
+    ('itsdangerous', '2.1.2', {
+        'checksums': ['5dbbc68b317e5e42f327f9021763545dc3fc3bfe22e6deb96aaf1fc38874156a'],
+    }),
+    ('starsessions', '1.3.0', {
+        'checksums': ['8d3b509d4e6d235655f7dd495fcf0afc1bd86da84de3a8d434e6f82137ebcde8'],
+    }),
+    ('fsspec', '2022.7.1', {
+        'checksums': ['7f9fb19d811b027b97c4636c6073eb53bc4cbee2d3c4b33fa88b9f26906fd7d7'],
+    }),
+    ('croniter', '1.3.8', {
+        'checksums': ['32a5ec04e97ec0837bcdf013767abd2e71cceeefd3c2e14c804098ce51ad6cd9'],
+    }),
+    ('traitlets', '5.2.0', {
+        'checksums': ['60474f39bf1d39a11e0233090b99af3acee93bbc2281777e61dd8c87da8a0014'],
+    }),
+    ('arrow', '1.2.3', {
+        'checksums': ['3934b30ca1b9f292376d9db15b19446088d12ec58629bc3f0da28fd55fb633a1'],
+    }),
+    ('lightning-utilities', '0.4.2', {
+        'checksums': ['dc6696ab180117f7e97b5488dac1d77765ab891022f7521a97a39e10d362bdb8'],
+    }),
+    ('blessed', '1.19.1', {
+        'checksums': ['9a0d099695bf621d4680dd6c73f6ad547f6a3442fbdbe80c4b1daa1edbc492fc'],
+    }),
+    ('python-editor', '1.0.4', {
+        'modulename': 'editor',
+        'checksums': ['51fda6bcc5ddbbb7063b2af7509e43bd84bfc32a4ff71349ec7847713882327b'],
+    }),
+    ('readchar', '4.0.3', {
+        'checksums': ['1d920d0e9ab76ec5d42192a68d15af2562663b5dfbf4a67cf9eba520e1ca57e6'],
+    }),
+    ('inquirer', '2.10.1', {
+        'checksums': ['e9876258183e24f6e8c44136b04f6f2e18dd6684aee59b86a8057c50601a6523'],
+    }),
+    ('wrapt', '1.14.1', {
+        'checksums': ['380a85cf89e0e69b7cfbe2ea9f765f004ff419f34194018a6827ac0e3edfed4d'],
+    }),
+    ('jmespath', '1.0.1', {
+        'checksums': ['90261b206d6defd58fdd5e85f478bf633a2901798906be2ad389150c5c60edbe'],
+    }),
+    ('botocore', '1.24.21', {
+        'checksums': ['7e976cfd0a61601e74624ef8f5246b40a01f2cce73a011ef29cf80a6e371d0fa'],
+    }),
+    ('aioitertools', '0.11.0', {
+        'checksums': ['42c68b8dd3a69c2bf7f2233bf7df4bb58b557bca5252ac02ed5187bbc67d6831'],
+    }),
+    ('aiobotocore', '2.3.4', {
+        'checksums': ['6554ebea5764f66f4be544a4fcaa0953ee80e600dd7bd818ba4893d72bf12bfb'],
+    }),
+    ('s3fs', '2022.7.1', {
+        'checksums': ['4883d682cb96b769fca568dbbcaa33ff457ac8077a03af221e6f253adac05771'],
+    }),
+    ('torchmetrics', '0.9.3', {
+        'checksums': ['4ebfd2466021db26397636966ee1a195d3b340ba5d71bb258e764340dfc2476f'],
+    }),
+    ('pytorch-lightning', version, {
+        'checksums': ['c2771f966fc1b909cdfd1d603a87b8c84a3d5ff7aacf35b2c0260f697ec0c8be'],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'lib'