diff --git a/easybuild/easyconfigs/g/Gubbins/Gubbins-3.4.3-foss-2024a.eb b/easybuild/easyconfigs/g/Gubbins/Gubbins-3.4.3-foss-2024a.eb new file mode 100644 index 00000000000..5281ee9e90f --- /dev/null +++ b/easybuild/easyconfigs/g/Gubbins/Gubbins-3.4.3-foss-2024a.eb @@ -0,0 +1,63 @@ +# This easyconfig was created by the BEAR Software team at the University of Birmingham. +easyblock = 'ConfigureMake' + +name = 'Gubbins' +version = '3.4.3' + +homepage = "https://nickjcroucher.github.io/gubbins/" +description = """Gubbins (Genealogies Unbiased By recomBinations In Nucleotide Sequences) is an algorithm that + iteratively identifies loci containing elevated densities of base substitutions, which are marked as recombinations, + while concurrently constructing a phylogeny based on the putative point mutations outside of these regions. + Simulations demonstrate the algorithm generates highly accurate reconstructions under realistic models of short-term + bacterial evolution, and can be run in only a few hours on alignments of hundreds of bacterial genome sequences.""" + +toolchain = {'name': 'foss', 'version': '2024a'} + +source_urls = ['https://github.com/nickjcroucher/gubbins/archive/refs/tags/'] +sources = ['v%(version)s.tar.gz'] +checksums = ['84489fa0ac83937ee22cd338c3633f74cb4fe6525b4700290a7f69e1eaec16e7'] + +builddependencies = [ + ('Autotools', '20231222'), + ('Autoconf-archive', '2024.10.16'), + ('pkgconf', '2.2.0'), + ('Check', '0.15.2'), + ('subunit', '1.4.5'), +] + +dependencies = [ + ('Python', '3.12.3'), + ('Biopython', '1.84'), + ('DendroPy', '5.0.1'), + ('numba', '0.60.0'), + ('SciPy-bundle', '2024.05'), + ('FastTree', '2.2'), + ('IQ-TREE', '2.4.0'), + ('rapidNJ', '2.3.3'), + ('RAxML', '8.2.13'), + ('RAxML-NG', '1.2.2'), + ('SKA2', '0.3.7'), + ('dill', '0.3.9'), + ('multiprocess', '0.70.17'), +] + +preconfigopts = "autoreconf -i && " +# runtest = 'check' # runs the Python tests and this causes package to be installed into the Python install +postinstallcmds = [ + """sed -i 's/self.executable = "iqtree"/self.executable = "iqtree2"/' python/gubbins/treebuilders.py""", + "cd python && python -s -m pip install --prefix %(installdir)s --no-build-isolation . " +] + +sanity_check_paths = { + 'files': ['bin/gubbins', 'lib/libgubbins.%s' % SHLIB_EXT], + 'dirs': [], +} + +sanity_check_commands = [ + "gubbins --help", + "run_gubbins.py --version", + 'python -s -c "import gubbins"', + 'PIP_DISABLE_PIP_VERSION_CHECK=true python -s -m pip check', +] + +moduleclass = 'bio' diff --git a/easybuild/easyconfigs/r/rapidNJ/rapidNJ-2.3.3-GCCcore-13.3.0.eb b/easybuild/easyconfigs/r/rapidNJ/rapidNJ-2.3.3-GCCcore-13.3.0.eb new file mode 100644 index 00000000000..5e74cb2c1f9 --- /dev/null +++ b/easybuild/easyconfigs/r/rapidNJ/rapidNJ-2.3.3-GCCcore-13.3.0.eb @@ -0,0 +1,41 @@ +# This seems to be actively maintained version of the code by the looks of it. +# See issue #5 +# https://github.com/somme89/rapidNJ/issues/5 +# why -march=native will not be used +# Author: J. Sassmannshausen (Imperial College London/UK) + +easyblock = 'MakeCp' + +name = 'rapidNJ' +version = '2.3.3' + +homepage = 'https://github.com/somme89/rapidNJ' +description = """RapidNJ is an algorithmic engineered implementation of canonical +neighbour-joining. It uses an efficient search heuristic to speed-up the core +computations of the neighbour-joining method that enables RapidNJ to +outperform other state-of-the-art neighbour-joining implementations.""" + +citing = """Rapid Neighbour Joining. Martin Simonsen, Thomas Mailund and Christian N. S. Pedersen. +In: Proceedings of the 8th Workshop in Algorithms in Bioinformatics (WABI), LNBI 5251, 113-122, +Springer Verlag, October 2008. +doi: 10.1007/978-3-540-87361-7_10""" + +toolchain = {'name': 'GCCcore', 'version': '13.3.0'} + +source_urls = ['https://github.com/somme89/rapidNJ/archive/'] +sources = [{'filename': 'v%(version)s.tar.gz', 'download_filename': 'latest.tar.gz'}] +checksums = ['662f864cc3e5bc68aea23129f02e0062cac9ebd37e414b54c5c5e616ff4f245d'] + +builddependencies = [('binutils', '2.42')] + +files_to_copy = [(['bin/rapidnj'], 'bin')] + +# That is returning 1 instead of 0, so disabled for now +# sanity_check_commands = ['rapidnj --help'] + +sanity_check_paths = { + 'files': ['bin/rapidnj'], + 'dirs': [], +} + +moduleclass = 'bio' diff --git a/easybuild/easyconfigs/s/SKA2/SKA2-0.3.7-GCCcore-13.3.0.eb b/easybuild/easyconfigs/s/SKA2/SKA2-0.3.7-GCCcore-13.3.0.eb new file mode 100644 index 00000000000..8058435a61d --- /dev/null +++ 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