easybuild-easyconfigs/easybuild/easyconfigs/h/HH-suite/HH-suite-3.3.0-gompi-2023a.eb at develop · easybuilders/easybuild-easyconfigs · GitHub

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##
# This file is an EasyBuild recipy as per https://github.com/easybuilders/easybuild
#
# Copyright:: Copyright 2012-2014 Uni.Lu/LCSB, NTUA
# Authors::   Fotis Georgatos <fotis@cern.ch>
# License::   MIT/GPL
# $Id$
#
# This work implements a part of the HPCBIOS project and is a component of the policy:
# https://hpcbios.readthedocs.org/en/latest/HPCBIOS_2012-94.html
##
# Updated to use gompi-2020b toolchain:
# Contribution from the NIHR Biomedical Research Centre
# Guy's and St Thomas' NHS Foundation Trust and King's College London
# uploaded by J. Sassmannshausen

easyblock = 'CMakeMake'

name = 'HH-suite'
version = '3.3.0'

homepage = 'https://github.com/soedinglab/hh-suite'
description = """The HH-suite is an open-source software package
 for sensitive protein sequence searching based on the pairwise
 alignment of hidden Markov models (HMMs)."""

toolchain = {'name': 'gompi', 'version': '2023a'}

source_urls = ['https://github.com/soedinglab/hh-suite/archive/']
sources = ['v%(version)s.tar.gz']
checksums = ['dd67f7f3bf601e48c9c0bc4cf1fbe3b946f787a808bde765e9436a48d27b0964']

builddependencies = [
    ('CMake', '3.26.3'),
]

dependencies = [
    ('Perl', '5.36.1'),
    ('Python', '3.11.3'),
]

_binaries_help = [
    'cstranslate', 'cstranslate_mpi', 'hhalign', 'hhalign_mpi', 'hhalign_omp', 'hhconsensus',
    'hhfilter', 'hhmake'
]

_binaries_h = [
    'a3m_database_extract', 'a3m_database_filter', 'a3m_database_reduce', 'a3m_extract', 'a3m_reduce',
    'hhblits', 'hhblits_ca3m', 'hhblits_mpi', 'hhblits_omp', 'hhsearch', 'hhsearch_mpi', 'hhsearch_omp'
]

_binaries_version = ['ffindex_build', 'ffindex_from_fasta', 'ffindex_modify']

_binaries_v = ['ffindex_from_fasta_with_split']

_binaries_helpless = [
    'ffindex_apply', 'ffindex_apply_mpi', 'ffindex_get',
    'ffindex_order', 'ffindex_reduce', 'ffindex_unpack'
]

_scriptfiles = ['hhmakemodel.py', 'hh_reader.py', 'hhsuitedb.py', 'cif2fasta.py']

fix_perl_shebang_for = ['scripts/*pl']

sanity_check_paths = {
    'files': ['bin/%s' % x for x in _binaries_help] +
             ['bin/%s' % x for x in _binaries_h] +
             ['bin/%s' % x for x in _binaries_version] +
             ['bin/%s' % x for x in _binaries_v] +
             ['bin/%s' % x for x in _binaries_helpless] +
             ['scripts/%s' % y for y in _scriptfiles],
    'dirs': ['data', 'scripts']
}

sanity_check_commands = ['%s --help' % x for x in _binaries_help]
sanity_check_commands += ['%s -h' % x for x in _binaries_h]
sanity_check_commands += ['%s --version' % x for x in _binaries_version]
sanity_check_commands += ['%s -v' % x for x in _binaries_v]
sanity_check_commands += ['%s 2>&1 | grep USAGE' % x for x in _binaries_helpless]

modextrapaths = {
    'PATH': 'scripts',
    'PERL5LIB': 'scripts',
}

modextravars = {
    'HHLIB': '%(installdir)s',
}

moduleclass = 'bio'