{bio}[foss/2021b] scanpy v1.8.2 w/ Python 3.9.6

easybuild/easyconfigs/s/scanpy/scanpy-1.8.2-foss-2021b.eb

@@ -0,0 +1,73 @@
+easyblock = 'PythonBundle'
+
+name = 'scanpy'
+version = '1.8.2'
+
+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': '2021b'}
+toolchainopts = {'openmp': True}
+
+dependencies = [
+    ('Python', '3.9.6'),
+    ('SciPy-bundle', '2021.10'),
+    ('h5py', '3.6.0'),
+    ('networkx', '2.6.3'),
+    ('numba', '0.54.1'),
+    ('PyTables', '3.6.1'),
+    ('statsmodels', '0.13.1'),
+    ('scikit-learn', '1.0.1'),
+    ('Seaborn', '0.11.2'),
+    ('tqdm', '4.62.3'),
+    ('leidenalg', '0.8.8'),
+]
+
+use_pip = True
+
+exts_list = [
+    ('natsort', '8.0.2', {
+        'checksums': ['feb87e0ce1dc1f8f3f21e18a85216c790e746d76a5ff6889563394605f504a2b'],
+    }),
+    # anndata 0.7.8 needs xlrd<2.0
+    ('xlrd', '1.2.0', {
+        'checksums': ['546eb36cee8db40c3eaa46c351e67ffee6eeb5fa2650b71bc4c758a29a1b29b2'],
+    }),
+    ('anndata', '0.7.8', {
+        'checksums': ['1efd7eb40839e0325bb066238280228a980d7dde6410793dbff2835f44a2d3ef'],
+    }),
+    ('pynndescent', '0.5.5', {
+        'checksums': ['7a7df8412b19cfb3596060faf5a8c5d0bf5b3bd504f8efd900fc4e3918c6f882'],
+    }),
+    ('umap-learn', '0.5.2', {
+        'modulename': 'umap',
+        'checksums': ['0ede8921c3ef0e1976cdc91b533b2bce82471c87dbb9fad447f617ca5b881d52'],
+    }),
+    ('stdlib-list', '0.8.0', {
+        'checksums': ['a1e503719720d71e2ed70ed809b385c60cd3fb555ba7ec046b96360d30b16d9f'],
+    }),
+    ('sinfo', '0.3.4', {
+        'checksums': ['81ea91c69a875de178e10bada9476d7300a1f712e1823dbd7714f43a10baba4d'],
+    }),
+    (name, version, {
+        'checksums': ['0c0baa6f08cec50b89b512cef3bfc7f612b215ce02c0fb49cc01c2acfbb2e9bb'],
+    }),
+]
+
+sanity_pip_check = True
+
+sanity_check_paths = {
+    'files': ['bin/%s' % x for x in ['natsort', 'scanpy']],
+    'dirs': ['lib/python%(pyshortver)s/site-packages/'],
+}
+
+sanity_check_commands = [
+    "natsort --help",
+    "scanpy --help",
+]
+
+moduleclass = 'bio'