adding easyconfigs: CellRank-2.0.2-foss-2023a.eb

easybuild/easyconfigs/c/CellRank/CellRank-2.0.2-foss-2023a.eb

@@ -0,0 +1,77 @@
+easyblock = 'PythonBundle'
+
+name = 'CellRank'
+version = '2.0.2'
+
+homepage = 'https://cellrank.readthedocs.io/en/stable/'
+description = """CellRank is a toolkit to uncover cellular dynamics based on
+ Markov state modeling of single-cell data.  It contains two main modules:
+kernels compute cell-cell transition probabilities and estimators generate
+hypothesis based on these. """
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+builddependencies = [('poetry', '1.5.1')]
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+    ('anndata', '0.10.5.post1'),
+    ('matplotlib', '3.7.2'),
+    ('networkx', '3.1'),
+    ('numba', '0.58.1'),
+    ('scanpy', '1.9.8'),
+    ('scikit-learn', '1.3.1'),
+    ('scVelo', '0.3.1'),
+    ('Seaborn', '0.13.2'),
+    ('wrapt', '1.15.0'),
+    ('PyTorch', '2.1.2'),
+    ('wandb', '0.16.1'),
+    ('PyTorch-Lightning', '2.2.1'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('loguru', '0.7.2', {
+        'checksums': ['e671a53522515f34fd406340ee968cb9ecafbc4b36c679da03c18fd8d0bd51ac'],
+    }),
+    ('nam', '0.0.3', {
+        'checksums': ['48400d12b5f29fdd1671aebdf78d7f41bcac4f5c8ab7ed48770ee0c4fbc0673b'],
+    }),
+    ('python-utils', '3.8.2', {
+        'checksums': ['c5d161e4ca58ce3f8c540f035e018850b261a41e7cb98f6ccf8e1deb7174a1f1'],
+    }),
+    ('progressbar2', '4.4.1', {
+        'modulename': 'progressbar',
+        'checksums': ['97d323ba03ad3d017a4d047fd0b2d3e733c5a360c07f87d269f96641c3de729f'],
+    }),
+    ('dunamai', '1.19.2', {
+        'checksums': ['3be4049890763e19b8df1d52960dbea60b3e263eb0c96144a677ae0633734d2e'],
+    }),
+    ('poetry_dynamic_versioning', '1.2.0', {
+        'checksums': ['1a7bbdba2530499e73dfc6ac0af19de29020ab4aaa3e507573877114e6b71ed6'],
+    }),
+    ('pygpcca', '1.0.4', {
+        'preinstallopts': "sed -i 's/jinja2==3.0.3/jinja2>=3.0.3/' requirements.txt && ",
+        'checksums': ['5e3b49279abc62d25133811daeee050715f995ff02042c46e2a2034331d090d1'],
+    }),
+    ('pygam', '0.9.1', {
+        'checksums': ['a321a017bf485ed93fc6233e02621f8e7eab3d4f8971371c9ae9e079c55be01d'],
+    }),
+    ('joblib', '1.3.2', {
+        'checksums': ['92f865e621e17784e7955080b6d042489e3b8e294949cc44c6eac304f59772b1'],
+    }),
+    ('docrep', '0.3.2', {
+        'checksums': ['ed8a17e201abd829ef8da78a0b6f4d51fb99a4cbd0554adbed3309297f964314'],
+    }),
+    (name, version, {
+        'modulename': 'cellrank',
+        'preinstallopts': "sed -i 's/matplotlib>=3.5.0,<3.7.2/matplotlib>=3.5.0/' pyproject.toml && ",
+        'source_tmpl': '%(namelower)s-%(version)s.tar.gz',
+        'checksums': ['47c1d2e953ac91f572937d816142b4ac5f0c876174c60f857562de76a9f8aa61'],
+    }),
+]
+
+moduleclass = 'bio'