From c3c46fd0cb4ae8533dc825fdb7850c23f52f4ad8 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Thu, 16 Jan 2025 14:23:51 +0100 Subject: [PATCH 1/3] adding easyconfigs: vRhyme-1.1.0-foss-2023a.eb --- .../v/vRhyme/vRhyme-1.1.0-foss-2023a.eb | 47 +++++++++++++++++++ 1 file changed, 47 insertions(+) create mode 100644 easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb diff --git a/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb b/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb new file mode 100644 index 00000000000..25e163336ce --- /dev/null +++ b/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb @@ -0,0 +1,47 @@ +easyblock = 'PythonBundle' + +name = 'vRhyme' +version = '1.1.0' + +homepage = 'https://github.com/AnantharamanLab/vRhyme' +description = """vRhyme is a multi-functional tool for binning virus genomes from metagenomes. +vRhyme functions by utilizing coverage variance comparisons and supervised machine learning classification +of sequence features to construct viral metagenome-assembled genomes (vMAGs).""" + +toolchain = {'name': 'foss', 'version': '2023a'} + +dependencies = [ + ('Python', '3.11.3'), + ('SciPy-bundle', '2023.07'), + ('scikit-learn', '1.3.1'), + ('numba', '0.58.1'), + ('Pysam', '0.22.0'), + ('networkx', '3.1'), + ('MMseqs2', '15-6f452'), + ('SAMtools', '1.18'), + ('prodigal', '2.6.3'), + ('Mash', '2.3'), + ('MUMmer', '4.0.0rc1'), + ('Bowtie2', '2.5.1'), + ('BWA', '0.7.18'), +] + +use_pip = True +sanity_pip_check = True + +exts_list = [ + (name, version, { + 'modulename': 'vRhyme', + 'preinstallopts': "gunzip vRhyme/models/vRhyme_machine_model_ET.sav.gz && ", + 'source_tmpl': 'v%(version)s.tar.gz', + 'source_urls': ['https://github.com/AnantharamanLab/vRhyme/archive'], + 'checksums': ['ffc8b7b7f976d251e5f42d41ef88f8a9bc3d3b6044fc443f31625a5feff83985'], + }), +] + +sanity_check_commands = [ + 'vRhyme --help', + '! test_vRhyme.py | grep "Not Found"', +] + +moduleclass = 'bio' From ea0ef5d5368f0283d2d0287cd4566d63ade8f17b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Thu, 16 Jan 2025 15:33:47 +0100 Subject: [PATCH 2/3] Use correct version of MMseqs2 --- easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb b/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb index 25e163336ce..9ab60f3e81e 100644 --- a/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb +++ b/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb @@ -17,7 +17,7 @@ dependencies = [ ('numba', '0.58.1'), ('Pysam', '0.22.0'), ('networkx', '3.1'), - ('MMseqs2', '15-6f452'), + ('MMseqs2', '14-7e284'), ('SAMtools', '1.18'), ('prodigal', '2.6.3'), ('Mash', '2.3'), From 8601e2b9cbb172d0aa0292c9500852993883f849 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Thu, 16 Jan 2025 16:03:18 +0100 Subject: [PATCH 3/3] stick to BWA 0.7.17 --- easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb b/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb index 9ab60f3e81e..09fddc1862c 100644 --- a/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb +++ b/easybuild/easyconfigs/v/vRhyme/vRhyme-1.1.0-foss-2023a.eb @@ -23,7 +23,7 @@ dependencies = [ ('Mash', '2.3'), ('MUMmer', '4.0.0rc1'), ('Bowtie2', '2.5.1'), - ('BWA', '0.7.18'), + ('BWA', '0.7.17'), ] use_pip = True