Merge pull request easybuilders#20777 from boegel/20240608145100_new_…

…pr_scFEA1120221109

{bio}[foss/2023a] scFEA v1.1-20221109, MAGIC v3.0.0

easybuild/easyconfigs/m/MAGIC/MAGIC-3.0.0-foss-2023a.eb

@@ -0,0 +1,48 @@
+easyblock = 'PythonBundle'
+
+name = 'MAGIC'
+version = '3.0.0'
+
+homepage = 'https://krishnaswamylab.org/projects/magic'
+description = """Markov Affinity-based Graph Imputation of Cells (MAGIC) is an algorithm for denoising high-dimensional
+ data most commonly applied to single-cell RNA sequencing data."""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+    ('matplotlib', '3.7.2'),
+    ('scikit-learn', '1.3.1'),
+]
+
+use_pip = True
+
+exts_list = [
+    ('wrapt', '1.16.0', {
+        'checksums': ['5f370f952971e7d17c7d1ead40e49f32345a7f7a5373571ef44d800d06b1899d'],
+    }),
+    ('Deprecated', '1.2.14', {
+        'checksums': ['e5323eb936458dccc2582dc6f9c322c852a775a27065ff2b0c4970b9d53d01b3'],
+    }),
+    ('PyGSP', '0.5.1', {
+        'checksums': ['4874ad88793d622d4f578b40c6617a99b1f02bc6c6c4077f0e48cd71c7275800'],
+    }),
+    ('graphtools', '1.5.3', {
+        'checksums': ['b35ae2974d24c507fe01b110d10b1d8c949e20bc49ff9d7d04f94849f9795907'],
+    }),
+    ('scprep', '1.2.3', {
+        'checksums': ['cc4ba4cedbba256935298f2ba6a973b4e74ea8cb9ad2632b693b6d4e6ab77c3f'],
+    }),
+    ('tasklogger', '1.2.0', {
+        'checksums': ['b0a390dbe1d4c6f7465e58ee457b5bb381657b5ede3a85bcf45199cb56ac01a4'],
+    }),
+    ('magic-impute', version, {
+        'modulename': 'magic',
+        'checksums': ['0c3f6d17baf586c412c174709a19164f04e693fd1933a8c0399ae5c5bf1cfd7a'],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'bio'

easybuild/easyconfigs/s/scFEA/scFEA-1.1-20221109-foss-2023a.eb

@@ -0,0 +1,32 @@
+easyblock = 'Tarball'
+
+name = 'scFEA'
+local_commit = '4c1fb76'
+version = '1.1-20221109'
+
+homepage = 'https://github.com/changwn/scFEA'
+description = """scFEA: A graph neural network model to estimate cell-wise metabolic using single cell RNA-seq data"""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+source_urls = ['https://github.com/changwn/scFEA/archive']
+sources = [{'download_filename': '%s.tar.gz' % local_commit, 'filename': SOURCE_TAR_GZ}]
+checksums = ['79774974964fed427dd67ba1d51c202a5ff90418fd84f74ebd9b478113ff50f6']
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+    ('matplotlib', '3.7.2'),
+    ('tqdm', '4.66.1'),
+    ('PyTorch', '2.1.2'),
+    ('MAGIC', '3.0.0'),
+]
+
+sanity_check_paths = {
+    'files': ['src/scFEA.py'],
+    'dirs': [],
+}
+
+sanity_check_commands = ["python %(installdir)s/src/scFEA.py --help"]
+
+moduleclass = 'bio'