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44 changes: 44 additions & 0 deletions easybuild/easyconfigs/a/anndata/anndata-0.10.5.post1-foss-2023a.eb
Original file line number Diff line number Diff line change
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easyblock = 'PythonBundle'

name = 'anndata'
version = '0.10.5.post1'

homepage = 'https://github.com/scverse/anndata'
description = """anndata is a Python package for handling annotated data matrices in memory and on disk,
positioned between pandas and xarray"""

toolchain = {'name': 'foss', 'version': '2023a'}

dependencies = [
('Python', '3.11.3'),
('SciPy-bundle', '2023.07'),
('h5py', '3.9.0'),
('hatchling', '1.18.0'),
]

use_pip = True
sanity_pip_check = True

exts_list = [
('packaging', '23.2', {
'checksums': ['048fb0e9405036518eaaf48a55953c750c11e1a1b68e0dd1a9d62ed0c092cfc5'],
}),
('array_api_compat', '1.4.1', {
'checksums': ['053103b7c0ba73626bff7380abf27a29dc80de144394137bc7455b7eba23d8c0'],
}),
('natsort', '8.4.0', {
'checksums': ['45312c4a0e5507593da193dedd04abb1469253b601ecaf63445ad80f0a1ea581'],
}),
(name, version, {
'checksums': ['9a17c6eda9fc40759b3f5f81742f5d18c1a0a1acdf02f13e1646700ec082c155'],
}),
]

sanity_check_paths = {
'files': ['bin/natsort'],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}

sanity_check_commands = ["natsort --help"]

moduleclass = 'bio'
69 changes: 69 additions & 0 deletions easybuild/easyconfigs/s/scanpy/scanpy-1.9.8-foss-2023a.eb
Original file line number Diff line number Diff line change
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easyblock = 'PythonBundle'

name = 'scanpy'
version = '1.9.8'

homepage = 'https://scanpy.readthedocs.io/en/stable/'
description = """Scanpy is a scalable toolkit for analyzing single-cell gene expression data built
jointly with anndata. It includes preprocessing, visualization, clustering, trajectory inference
and differential expression testing. The Python-based implementation efficiently deals with
datasets of more than one million cells.
"""

toolchain = {'name': 'foss', 'version': '2023a'}
toolchainopts = {'openmp': True}

dependencies = [
('Python', '3.11.3'),
('SciPy-bundle', '2023.07'),
('matplotlib', '3.7.2'),
('Seaborn', '0.13.2'),
('h5py', '3.9.0'),
('tqdm', '4.66.1'),
('scikit-learn', '1.3.1'),
('statsmodels', '0.14.1'),
('networkx', '3.1'),
('numba', '0.58.1'),
('umap-learn', '0.5.5'),
('hatchling', '1.18.0'),
('anndata', '0.10.5.post1'),
]

use_pip = True
sanity_pip_check = True

exts_list = [
('stdlib_list', '0.10.0', {
'checksums': ['6519c50d645513ed287657bfe856d527f277331540691ddeaf77b25459964a14'],
}),
('packaging', '23.2', {
'checksums': ['048fb0e9405036518eaaf48a55953c750c11e1a1b68e0dd1a9d62ed0c092cfc5'],
}),
('natsort', '8.4.0', {
'checksums': ['45312c4a0e5507593da193dedd04abb1469253b601ecaf63445ad80f0a1ea581'],
}),
('joblib', '1.3.2', {
'checksums': ['92f865e621e17784e7955080b6d042489e3b8e294949cc44c6eac304f59772b1'],
}),
('session-info', '1.0.0', {
'sources': ['session_info-%(version)s.tar.gz'],
'checksums': ['3cda5e03cca703f32ae2eadbd6bd80b6c21442cfb60e412c21cb8ad6d5cbb6b7'],
}),
('legacy_api_wrap', '1.4', {
'checksums': ['92dfa274cedb26d6e6f70fac85c856fbdcc05058066656d76a665fb4bf11b785'],
}),
(name, version, {
'checksums': ['2ab1790d2b82eadb0cf8d487f468beac7a8f6a3a8fd7112d1ae989f8c52a4353'],
}),
]

sanity_check_paths = {
'files': ['bin/%s' % x for x in ['natsort', 'scanpy']],
'dirs': ['lib/python%(pyshortver)s/site-packages/'],
}

sanity_check_commands = [
"natsort --help",
]

moduleclass = 'bio'