diff --git a/easybuild/easyconfigs/m/MAGIC/MAGIC-3.0.0-foss-2023a.eb b/easybuild/easyconfigs/m/MAGIC/MAGIC-3.0.0-foss-2023a.eb new file mode 100644 index 00000000000..9e22b652a23 --- /dev/null +++ b/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' diff --git a/easybuild/easyconfigs/s/scFEA/scFEA-1.1-20221109-foss-2023a.eb b/easybuild/easyconfigs/s/scFEA/scFEA-1.1-20221109-foss-2023a.eb new file mode 100644 index 00000000000..3e1d6133015 --- /dev/null +++ b/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'