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{bio}[foss/2021b] pangolin v3.1.16 w/ Python 3.9.6 + pangoLEARN v2021-10-18 and v2021-11-25 #14310

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@@ -0,0 +1,84 @@
# Contribution from the NIHR Biomedical Research Centre
# Guy's and St Thomas' NHS Foundation Trust and King's College London
# Based on a EC provided by Paul Jähne
# uploaded by J. Sassmannshausen
# using the pangoLEARN extension to distinguish between different versions

easyblock = 'PythonBundle'

name = 'pangolin'
version = '3.1.16'
local_pLEARN_version = '2021-10-18'
versionsuffix = '-pangoLEARN-%s' % local_pLEARN_version

homepage = 'https://cov-lineages.org/pangolin.html'
description = """Software package for assigning SARS-CoV-2 genome sequences to global lineages.
This module also contains the faToVcf tool"""

toolchain = {'name': 'foss', 'version': '2021b'}

dependencies = [
('Biopython', '1.79'),
('gofasta', '0.0.5', '', True),
('minimap2', '2.22'),
('Pysam', '0.17.0'),
('Python', '3.9.6'),
('SciPy-bundle', '2021.10'),
('snakemake', '6.10.0'),
('UShER', '0.5.0'),
('scikit-learn', '1.0.1'),
('Kent_tools', '422'),
]

use_pip = True
sanity_pip_check = True

github_account = 'cov-lineages'
exts_default_options = {
'source_urls': [GITHUB_SOURCE],
'sources': [{
'download_filename': 'v%(version)s.tar.gz',
'filename': SOURCE_TAR_GZ,
}],
}

exts_list = [
(name, version, {
'checksums': ['f247caf5ee4252a3edbbf9e60f23374438aaad1879d8dfbf6fb7a64bde8bf3fc'],
}),
('pangoLEARN', local_pLEARN_version, {
'modulename': 'pangoLEARN',
'sources': [{
'download_filename': '%(version)s.tar.gz',
'filename': SOURCE_TAR_GZ,
}],
'checksums': ['5a0a5e00d92c769686b98947fe40e6a89a366beedd086babe6873f2c1b62947d'],
}),
('scorpio', '0.3.14', {
'checksums': ['31108c9e8399691b3167b14689fbedebd7a410b0879c362a12d807cb077ac57a'],
}),
('constellations', '0.0.21', {
'checksums': ['83c3d61e83b81b59b03d7da176a50c6beac05efdb080978856c9eeb32cd05eca'],
}),
('pango-designation', '1.2.93', {
'checksums': ['9fd2159d8681e1674e9c812693ef391fb389cf4f7e74c467ba7882e7cb2d6bce'],
}),
]

local_binaries = [
'constellations', 'extract_definitions.py', 'pango_designation', 'pangoLEARN',
'pangolearn.smk', 'pangolin', 'scorpio', 'type_constellations.py'
]

sanity_check_paths = {
'files': ['bin/%s' % x for x in local_binaries],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}

sanity_check_commands = [
'pangolin -v',
'pangolin -pv',
'scorpio -v',
]

moduleclass = 'bio'
@@ -0,0 +1,85 @@
# Contribution from the NIHR Biomedical Research Centre
# Guy's and St Thomas' NHS Foundation Trust and King's College London
# Based on a EC provided by Paul Jähne
# uploaded by J. Sassmannshausen
# using the pangoLEARN extension to distinguish between different versions

easyblock = 'PythonBundle'

name = 'pangolin'
version = '3.1.16'
local_pLEARN_version = '2021-11-25'
versionsuffix = '-pangoLEARN-%s' % local_pLEARN_version

homepage = 'https://cov-lineages.org/pangolin.html'
description = """Software package for assigning SARS-CoV-2 genome sequences to global lineages.
This module also contains the faToVcf tool"""

toolchain = {'name': 'foss', 'version': '2021b'}

dependencies = [
('Biopython', '1.79'),
('gofasta', '0.0.5', '', True),
('minimap2', '2.22'),
('Pysam', '0.17.0'),
('Python', '3.9.6'),
('SciPy-bundle', '2021.10'),
('snakemake', '6.10.0'),
('UShER', '0.5.0'),
('scikit-learn', '1.0.1'),
('Kent_tools', '422'),
]

use_pip = True
sanity_pip_check = True

github_account = 'cov-lineages'
exts_default_options = {
'source_urls': [GITHUB_SOURCE],
'sources': [{
'download_filename': 'v%(version)s.tar.gz',
'filename': SOURCE_TAR_GZ,
}],
}


exts_list = [
(name, version, {
'checksums': ['f247caf5ee4252a3edbbf9e60f23374438aaad1879d8dfbf6fb7a64bde8bf3fc'],
}),
('pangoLEARN', local_pLEARN_version, {
'modulename': 'pangoLEARN',
'sources': [{
'download_filename': '%(version)s.tar.gz',
'filename': SOURCE_TAR_GZ,
}],
'checksums': ['a803da5a30f83d88ad50ac1c6696f5157ff3406d93aa907c8fa176e3ac30b09d'],
}),
('scorpio', '0.3.14', {
'checksums': ['31108c9e8399691b3167b14689fbedebd7a410b0879c362a12d807cb077ac57a'],
}),
('constellations', '0.0.25', {
'checksums': ['3fb91ed26803d8e73c18153f6e096c4639d1a96beb3fac3c6b5eaf8656ce050f'],
}),
('pango-designation', '1.2.103', {
'checksums': ['d9ce36f618d5024d5a687581d6656585dbd52169b4e8f36fc6daca17f0d65c06'],
}),
]

local_binaries = [
'constellations', 'extract_definitions.py', 'pango_designation', 'pangoLEARN',
'pangolearn.smk', 'pangolin', 'scorpio', 'type_constellations.py'
]

sanity_check_paths = {
'files': ['bin/%s' % x for x in local_binaries],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}

sanity_check_commands = [
'pangolin -v',
'pangolin -pv',
'scorpio -v',
]

moduleclass = 'bio'