add gpu version

easybuild/easyconfigs/h/HNOCA-tools/HNOCA-tools-0.1.1-foss-2023a-CUDA-12.1.1.eb

@@ -0,0 +1,55 @@
+easyblock = 'PythonBundle'
+
+name = 'HNOCA-tools'
+version = '0.1.1'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://github.com/devsystemslab/HNOCA-tools/'
+description = "Toolbox of the Human Neural Organoid Cell Atlas."
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+builddependencies = [('poetry', '1.5.1')]
+dependencies = [
+    ('CUDA', '12.1.1', '', SYSTEM),
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+    ('anndata', '0.10.5.post1'),
+    ('scanpy', '1.9.8'),
+    ('scvi-tools', '1.1.2', versionsuffix),
+    ('statsmodels', '0.14.1'),
+    ('matplotlib', '3.7.2'),
+    ('scArches', '0.6.1', versionsuffix),
+    ('numba', '0.58.1'),
+    ('scikit-learn', '1.3.1'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('cloudpickle', '3.1.0', {
+        'checksums': ['81a929b6e3c7335c863c771d673d105f02efdb89dfaba0c90495d1c64796601b'],
+    }),
+    ('joblib', '1.4.2', {
+        'checksums': ['2382c5816b2636fbd20a09e0f4e9dad4736765fdfb7dca582943b9c1366b3f0e'],
+    }),
+    ('decoupler', '1.6.0', {
+        'checksums': ['dde501f4d3e55a260f716e51b871bee403bc8aaa6b66799df0e42dee0787b98d'],
+    }),
+    ('hnoca', version, {
+        'preinstallopts': "sed -i 's/>=.*//g' requirements.txt && ",
+        'source_urls': ['https://github.com/devsystemslab/HNOCA-tools//archive/'],
+        'sources': [{'download_filename': 'v%(version)s.tar.gz', 'filename': '%(name)s-%(version)s.tar.gz'}],
+        'checksums': ['5a433a9e5f59c449bdfa35a831fbfada329793e7c22e8f40c120ad57e2b213c0'],
+    }),
+]
+
+sanity_check_commands = [
+    'python -c "import hnoca.snapseed"',
+    'python -c "from hnoca.snapseed.utils import read_yaml"',
+    'python -c "import hnoca.map"',
+    'python -c "import hnoca.stats"',
+]
+
+moduleclass = 'ai'