adding easyconfigs: HH-suite-3.3.0-gompi-2023a.eb

easybuild/easyconfigs/h/HH-suite/HH-suite-3.3.0-gompi-2023a.eb

@@ -0,0 +1,90 @@
+##
+# 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'