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Merge pull request #15632 from easybuilders/4.5.x
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release EasyBuild v4.5.5
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SebastianAchilles authored Jun 7, 2022
2 parents 478fa1d + 79d8dc5 commit a2f5b4e
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82 changes: 81 additions & 1 deletion RELEASE_NOTES
Original file line number Diff line number Diff line change
Expand Up @@ -3,10 +3,90 @@ For more detailed information, please see the git log.

These release notes can also be consulted at https://docs.easybuild.io/en/latest/Release_notes.html.

The latest version of easybuild-easyconfig provides 14,449 easyconfig files, for 2,667 different software packages,
The latest version of easybuild-easyconfig provides 14,816 easyconfig files, for 2,711 different software packages,
incl. 36 different (compiler) toolchains.


v4.5.5 (June 8th 2022)
----------------------

update/bugfix release
- add candidates for 2022a common toolchains: foss/2022.05 (#15561), intel/2022.05 (#15485)
- added example easyconfig files for 35 new software packages:
- Albumentations (#15302), AMPtk (#15435), arosics (#15249), CellTypist (#15530), detectron2 (#15442),
EigenExa (#15234), Fastaq (#15332), FFTW.MPI (#15561), FreeBarcodes (#15350), gcloud (#15443),
GST-plugins-bad (#15446), gsutil (#15507), GTK4 (#15447), hector (#15397), i7z (#15236), libde265 (#15395),
libheif (#15395), ModelTest-NG (#15448), num2words (#15473), OGDF (#15407), panito (#15314),
parameterized (#15481), purge_dups (#15385), redis-py (#15475), ruamel.yaml (#15531), SCGid (#15065),
scPred (#15575), slow5tools (#15457), smooth-topk (#15506), SPOTPY (#15326), tmap (#14601), UCC (#14291),
Wayland (#11107), XGrafix (#15268), XPLOR-NIH (#15479)
- added additional easyconfigs for various supported software packages, including:
- ABAQUS 2022, Arb 2.22.1, ARGoS 3.0.0, Arriba 2.2.1, astropy 5.0.4, ATK 2.38.0, Autotools 20220317,
Bader 1.04, Bazel 4.2.2 + 5.1.1, BDBag 1.6.3, binutils 2.38, biom-format 2.1.12, BLIS 0.9.0, Boost 1.79.0,
breseq 0.36.1, bx-python 0.8.13, cairo 1.17.4, CellRanger-ARC 2.0.1, CMake 3.23.1, cryoDRGN 1.0.0,
CUDA 11.7.0, cuDNN 8.4.1.50, cURL 7.83.0, DBus 1.14.0, eggnog-mapper 2.1.7, elfutils 0.187,
EvidentialGene 2022.01.14, expat 2.4.8, FlexiBLAS 3.2.0, FLINT 2.8.4, fontconfig 2.14.0, freebayes 1.3.6,
freeglut 3.2.2, freetype 2.12.1, FriBidi 1.0.12, GCC 9.5.0 + 11.3.0 + GCC 12.1.0, Gdk-Pixbuf 2.42.8,
geopandas 0.10.2, git 2.36.0, GLib 2.72.1, GMAP-GSNAP 2021-21-17, Go 1.18.1, GObject-Introspection 1.72.0,
Graphene 1.10.8, GST-plugins-base 1.20.2, GStreamer 1.20.2, GTDB-Tk 2.0.0, GTK3 3.24.33, gzip 1.12,
HarfBuzz 4.2.1, help2man 1.49.2, hwloc 2.7.1, hypothesis 6.46.7, Hypre 2.24.0, ICU 71.1, IGV 2.12.3,
IMB 2021.3, inferCNV 1.10.1, InterProScan 5.52, IQ-TREE 2.2.1, jax 0.3.9, json-c 0.16, LAPACK 3.10.1,
libarchive 3.6.1, libdeflate 1.10, libdrm 2.4.110, libedit 20210910, libepoxy 1.5.10, libfabric 1.15.1,
libglvnd 1.4.0, libjpeg-turbo 2.1.3, libreadline 8.1.2, librsb 1.3.0.1, librsvg 2.52.8, libtool 2.4.7,
libunwind 1.6.2, libxml2 2.9.13, LLVM 14.0.3, LocARNA 1.9.2.3, MACS2 2.2.7.1, magma 2.6.2, Mako 1.2.0,
Mathematica 13.0.0, MCL 14.137, MCR R2022a.1, Mesa 22.0.3, Meson 0.62.1, MIRA 5.0rc2, Mmg 5.6.0, mold 1.2.1,
mosdepth 0.3.3, MrBayes 3.2.7a, MultiQC 1.12, MUMPS 5.5.0, muParser 2.3.3, ncurses 6.3, neptune-client 0.16.2,
Nextflow 22.04.0, Nim 1.6.6, NTPoly 2.7.1, OpenMPI 4.1.4, openpyxl 3.0.9, OpenSSL 1.1.1n, OpenStackClient 5.8.0,
OSU-Micro-Benchmarks 5.9, pagmo 2.18.0, Pango 1.50.7, parallel-fastq-dump 0.6.7, PCRE2 10.40, Perl 5.34.1,
Pillow 9.1.0, PLINK 2.00a3.1, PMIx 4.1.2, PyAMG 4.2.3, pybind11 2.9.2, PyCairo 1.21.0, pygmo 2.18.0,
PyGObject 3.42.1, Python 3.10.4, R 4.2.0, RAxML-NG 1.1.0, R-bundle-Bioconductor 3.15, ReFrame 3.11.0,
RNA-Bloom 1.4.3, rnaQUAST 2.2.2, Rust 1.60.0, Sambamba 0.8.2, SAMtools 1.15.1, ScaLAPACK 2.2.0,
SciPy-bundle 2022.05, SeqKit 2.2.0, Shapely 1.8.1.post1, SpaceRanger 1.3.1, Spack 0.17.2, Spark 3.2.1,
SQLite 3.38.3, StringTie 2.2.1, SUMO 1.12.0, SuperLU 5.3.0, tbl2asn 20220427, Tcl 8.6.12, TCLAP 1.2.5,
tcsh 6.24.01, texlive 20220321, ToFu 1.5.0, UCX 1.12.1, util-linux 2.38, VEP 105, ViennaRNA 2.5.0,
vsc-mympirun 5.2.11, worker 1.6.13, X11 2022050, YAXT 0.9.2.1, Z3 4.8.16, Zip 3.0, zlib 1.2.12, zstd 1.5.2
- minor enhancements, including:
- use OpenSSL wrapper dependency for CMake 3.18.4 with system toolchain (#15227)
- also build BLIS backend for FlexiBLAS v3.0.4 with GCC/10.3.0 (#15347)
- add extensions to R v4.1.2 + v4.2.0 easyconfigs:
- Hmsc (#15393), MonteCarlo + RhpcBLASctl (#15438), chkptstanr (#15540), chkptstanr + MLmetrics + renv (#15573)
- add extensions to R-bundle-Bioconductor 3.14 easyconfig: DNABarcodes (#15405)
- use redist source_urls for cuDNN > 7.5 (#15411)
- add download_instructions to Java 1.8 > 200 (#15412)
- update Arrow to use EasyBuild-provided versions of some dependencies and enable all compression codecs (#15512)
- add csh -> tcsh symlink in recent tcsh easyconfigs (#15571)
- allow external tools to be located elsewhere for ETE (#15578)
- add additional sanity check commands for IQ-TREE v2.2.1 (#15596)
- various bug fixes, including:
- fix source URL for freetype 2.6.5 with foss/2016b (#14204)
- fix installation of easybuild-easyconfigs with setuptools>=61 by explicitly declaring there are no Python packages (#15206)
- use x.py to boostrap Rust so that build options are properly passed through (#15211)
- fix RepeatMasker-4.1.2-p1 easyconfig by moving the database configure command to postinstallcmds (#15280, #15615)
- add hwloc dependency to tbb v2021.4.0 (#15294)
- tweak find command used in preconfigopts in easyconfig for pkg-config v0.29.2 with system toolchain to avoid descending into other filesystems (#15313)
- remove pkg-config use from SeqLib configure patch (avoids problem due to faulty autoconf macro) (#15316)
- update source URL for isl in GCCcore easyconfigs (#15320)
- update source URLs for YAXT 0.9.x to fix download (#15323)
- define $HHLIB as path to HH-suite installation directory, required by Perl scripts (#15324)
- add missing parallel and tbl2asn dependencies for prokka 1.14.5 (#15360, #15381)
- add missing dependencies for libheif (libpng, libjpeg-turbo) (#15408)
- switch to configuring build of libheif with CMake so libde265 dependency is picked up (#15408)
- disable use of -ftree-vectorize for OpenFOAM v2112 with foss/2021b (#15495)
- add patch for OpenMPI 4.1.1 to support building using --with-cuda=internal (#15528, #15589)
- add patch to fix support for external PMIx v3.1 in OpenMPI v3.1.3 (#15566)
- also build shared library + fix $PYTHONPATH for gmsh 4.9.0 (#15579)
- add patch for GLib 2.68.2 to fix use of close_range (#15594)
- fix download of thrift 0.12.0 for Arrow 0.16.0 (#15597)
- add Bison and flex build dependencies to SCOTCH 6.1.x (#15618)
- add alternative checksums for class, nnet, spatial extensions in R v4.2.0 easyconfig (#15619)
- add missing dependencies + switch to non-static build for Arriba v2.1.0 (#15623)
- other changes:
- add R dependency to vcflib 1.0.3, and move from GCC/11.2.0 to foss/2021b toochain (#15216)
- update fallback version for OpenSSL 1.1 wrapper to v1.1.1o (#15592)
- install sklearn meta-package with scikit-learn v1.0.1 (#15613)
- switch from pkg-config to pkgconf as build dependency for OpenSSL wrapper easyconfigs (#15616, #15617)


v4.5.4 (March 31st 2022)
------------------------

Expand Down
39 changes: 39 additions & 0 deletions easybuild/easyconfigs/a/ABAQUS/ABAQUS-2022-hotfix-2214.eb
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name = 'ABAQUS'
version = '2022'
local_hotfix = '2214'
versionsuffix = '-hotfix-%s' % local_hotfix

homepage = 'https://www.simulia.com/products/abaqus_fea.html'
description = """Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit
dynamics FEA."""

toolchain = SYSTEM

sources = [
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.1-5.tar',
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.2-5.tar',
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.3-5.tar',
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.4-5.tar',
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.5-5.tar',
# hotfixes
'%%(version)s.FP.CFA.%s.Part_SIMULIA_EstPrd.Linux64.tar' % local_hotfix,
'%%(version)s.FP.CFA.%s.Part_SIMULIA_FlexNet.Linux64.tar' % local_hotfix,
'%%(version)s.FP.CFA.%s.Part_SIMULIA_Readme.AllOS.tar' % local_hotfix,
]
checksums = [
'9025c9bc2d0345c13d96e88c1c422b1979a14bf7ba281bd32dfe093c1446945d', # 2022.AM_SIM_Abaqus_Extend.AllOS.1-5.tar
'14c23b3fdfddb723d84a02eb27edc25162e1d27e8fdce053193f72d28ff0a12c', # 2022.AM_SIM_Abaqus_Extend.AllOS.2-5.tar
'561d54d688ea2f2dcf329701e20502642aecf5526eb56db3a586cbcadfbf20fb', # 2022.AM_SIM_Abaqus_Extend.AllOS.3-5.tar
'c085066ae2df68c9c61ea345808042ddb205c642d649f1ec3b7db4aaffb3d544', # 2022.AM_SIM_Abaqus_Extend.AllOS.4-5.tar
'bfbc2c1a402881308f68f054e1e376fe153053b4287018ddbc80e76710f6969f', # 2022.AM_SIM_Abaqus_Extend.AllOS.5-5.tar
# 2022.FP.CFA.2214.Part_SIMULIA_EstPrd.Linux64.tar
'da954ac2e24e8e19a527a67d9436ecec4d67cb655cd84b302a15db2b082918c3',
# 2022.FP.CFA.2214.Part_SIMULIA_FlexNet.Linux64.tar
'2d135459211754c7004c8142da7aae5ee2b94d578ef5bb9472de7532a9db0614',
# 2022.FP.CFA.2214.Part_SIMULIA_Readme.AllOS.tar
'88b5c0b182e2dc3e09c14f89be338993cf7edcfeb2f388f405022c63f5512029',
]

dependencies = [('Java', '11')]

moduleclass = 'cae'
27 changes: 27 additions & 0 deletions easybuild/easyconfigs/a/ABAQUS/ABAQUS-2022.eb
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@@ -0,0 +1,27 @@
name = 'ABAQUS'
version = '2022'

homepage = 'https://www.simulia.com/products/abaqus_fea.html'
description = """Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit
dynamics FEA."""

toolchain = SYSTEM

sources = [
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.1-5.tar',
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.2-5.tar',
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.3-5.tar',
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.4-5.tar',
'%(version)s.AM_SIM_Abaqus_Extend.AllOS.5-5.tar',
]
checksums = [
'9025c9bc2d0345c13d96e88c1c422b1979a14bf7ba281bd32dfe093c1446945d', # 2022.AM_SIM_Abaqus_Extend.AllOS.1-5.tar
'14c23b3fdfddb723d84a02eb27edc25162e1d27e8fdce053193f72d28ff0a12c', # 2022.AM_SIM_Abaqus_Extend.AllOS.2-5.tar
'561d54d688ea2f2dcf329701e20502642aecf5526eb56db3a586cbcadfbf20fb', # 2022.AM_SIM_Abaqus_Extend.AllOS.3-5.tar
'c085066ae2df68c9c61ea345808042ddb205c642d649f1ec3b7db4aaffb3d544', # 2022.AM_SIM_Abaqus_Extend.AllOS.4-5.tar
'bfbc2c1a402881308f68f054e1e376fe153053b4287018ddbc80e76710f6969f', # 2022.AM_SIM_Abaqus_Extend.AllOS.5-5.tar
]

dependencies = [('Java', '11')]

moduleclass = 'cae'
34 changes: 34 additions & 0 deletions easybuild/easyconfigs/a/AMD-uProf/AMD-uProf-3.5.671.eb
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@@ -0,0 +1,34 @@
##
# Author: Robert Mijakovic <robert.mijakovic@lxp.lu>
##
easyblock = 'Binary'

name = 'AMD-uProf'
version = '3.5.671'

homepage = 'https://developer.amd.com/amd-uprof/'
description = """AMD uProf is a performance analysis tool for applications running on Windows, Linux & FreeBSD
operating systems. It allows developers to better understand the runtime performance of their application and
to identify ways to improve its performance."""

toolchain = SYSTEM

source_urls = ['https://developer.amd.com/wordpress/media/files/']
sources = ['AMDuProf_Linux_x64_%(version)s.tar.bz2']
checksums = ['a73066305228658a14af5ecd6cf45a1aa47ae94f7e9d14db31f43013d3ef1a43']

extract_sources = True

sanity_check_paths = {
'files': ['include/AMDTPowerProfileApi.h', 'lib/x64/libAMDProfileController.a',
'bin/libAMDThreadProfileAPI.%s' % SHLIB_EXT, 'bin/AMDuProf'],
'dirs': ['Examples']
}

sanity_check_commands = ['AMDuProfCLI info --system']

modextrapaths = {
'LD_LIBRARY_PATH': 'bin'
}

moduleclass = 'perf'
55 changes: 55 additions & 0 deletions easybuild/easyconfigs/a/AMPtk/AMPtk-1.5.4-foss-2021b.eb
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@@ -0,0 +1,55 @@
easyblock = 'PythonBundle'

name = 'AMPtk'
version = '1.5.4'

homepage = 'https://amptk.readthedocs.io'
description = """AMPtk is a series of scripts to process NGS amplicon data using USEARCH and VSEARCH, it can also be
used to process any NGS amplicon data and includes databases setup for analysis of fungal ITS, fungal LSU, bacterial
16S, and insect COI amplicons."""

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

dependencies = [
('Python', '3.9.6'),
('SciPy-bundle', '2021.10'),
('matplotlib', '3.4.3'),
('h5py', '3.6.0'),
('biom-format', '2.1.12'),
('Seaborn', '0.11.2'),
('Biopython', '1.79'),
('edlib', '1.3.9'),
]

use_pip = True

exts_list = [
('distro', '1.7.0', {
'checksums': ['151aeccf60c216402932b52e40ee477a939f8d58898927378a02abbe852c1c39'],
}),
('natsort', '8.1.0', {
'checksums': ['c7c1f3f27c375719a4dfcab353909fe39f26c2032a062a8c80cc844eaaca0445'],
}),
('pyfastx', '0.8.4', {
'checksums': ['20cee9faff140f973c59fbe98121eac2d67acf3eb7fef5fdf69a8b4942b4468c'],
}),
('amptk', version, {
'checksums': ['f6ddedccb56f39624bd825c504f15823c4ff1d5d0539ebe746405696c77ce69d'],
}),
]

fix_python_shebang_for = ['bin/amptk', 'bin/*.py']

sanity_pip_check = True

sanity_check_paths = {
'files': ['bin/amptk', 'bin/amptk_synthetic_mock.py'],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}

sanity_check_commands = [
"amptk | grep '^Usage:'",
"amptk_synthetic_mock.py --help",
]

moduleclass = 'bio'
40 changes: 40 additions & 0 deletions easybuild/easyconfigs/a/ARGoS/ARGoS-3.0.0-beta59-GCC-11.2.0.eb
Original file line number Diff line number Diff line change
@@ -0,0 +1,40 @@
easyblock = 'CMakeMake'

name = 'ARGoS'
version = '3.0.0-beta59'

homepage = 'http://www.argos-sim.info'
description = """A parallel, multi-engine simulator for heterogeneous swarm robotics"""

toolchain = {'name': 'GCC', 'version': '11.2.0'}

source_urls = ['https://github.com/ilpincy/argos3/archive']
sources = ['%(version)s.tar.gz']
checksums = ['99007ef5eb10bbe4b8f88dcf0600c62c4cc0a5844e85ec0a3c3499b4637ee8b5']

builddependencies = [('CMake', '3.21.1')]

dependencies = [
('Lua', '5.4.3'),
('FreeImage', '3.18.0'),
('Qt5', '5.15.2'),
('freeglut', '3.2.1'),
('motif', '2.3.8'),
]

start_dir = 'src'

# documentation requires Doxygen, Graphviz, asciidoc
configopts = '-DARGOS_DOCUMENTATION=OFF -DARGOS_INSTALL_LDSOCONF=OFF -DARGOS_BUILD_NATIVE=ON'

sanity_check_paths = {
'files': ['include/argos3/core/config.h', 'lib/argos3/libargos3core_simulator.%s' % SHLIB_EXT],
'dirs': ['share/argos3']
}

sanity_check_commands = ["argos3 --help", "argos3 --version"]

# ARGoS libaries reside in the argos3 subdirectory
modextrapaths = {'LD_LIBRARY_PATH': 'lib/argos3'}

moduleclass = 'phys'
39 changes: 39 additions & 0 deletions easybuild/easyconfigs/a/ATK/ATK-2.38.0-GCCcore-11.3.0.eb
Original file line number Diff line number Diff line change
@@ -0,0 +1,39 @@
easyblock = 'MesonNinja'

name = 'ATK'
version = '2.38.0'

homepage = 'https://developer.gnome.org/atk/'
description = """
ATK provides the set of accessibility interfaces that are implemented by other
toolkits and applications. Using the ATK interfaces, accessibility tools have
full access to view and control running applications.
"""

toolchain = {'name': 'GCCcore', 'version': '11.3.0'}

source_urls = [FTPGNOME_SOURCE]
sources = [SOURCELOWER_TAR_XZ]
checksums = ['ac4de2a4ef4bd5665052952fe169657e65e895c5057dffb3c2a810f6191a0c36']

builddependencies = [
('binutils', '2.38'),
('Meson', '0.62.1'),
('Ninja', '1.10.2'),
('pkgconf', '1.8.0'),
('GObject-Introspection', '1.72.0'),
]

dependencies = [
('GLib', '2.72.1'),
]

configopts = "--buildtype=release --default-library=both "
configopts += "-Dintrospection=true "

sanity_check_paths = {
'files': ['lib/libatk-1.0.%s' % SHLIB_EXT],
'dirs': [],
}

moduleclass = 'vis'
Original file line number Diff line number Diff line change
@@ -0,0 +1,36 @@
easyblock = 'PythonBundle'

name = 'Albumentations'
version = '1.1.0'

homepage = 'https://albumentations.ai'
description = "Albumentations is a Python library for fast and flexible image augmentations"

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

dependencies = [
('Python', '3.9.6'),
('SciPy-bundle', '2021.10'),
('PyYAML', '5.4.1'),
('scikit-image', '0.19.1'),
('scikit-learn', '1.0.1'),
('OpenCV', '4.5.5', '-contrib'),
('imgaug', '0.4.0'),
]

preinstallopts = "sed -i 's|CHOOSE_INSTALL_REQUIRES),|[]),|g' setup.py && "

use_pip = True

exts_list = [
('qudida', '0.0.4', {
'checksums': ['db198e2887ab0c9aa0023e565afbff41dfb76b361f85fd5e13f780d75ba18cc8'],
}),
('albumentations', version, {
'checksums': ['60b067b3093908bcc52adb2aa5d44f57ebdbb8ab57a47b0b42f3dc1d3b1ce824'],
}),
]

sanity_pip_check = True

moduleclass = 'vis'
29 changes: 29 additions & 0 deletions easybuild/easyconfigs/a/Anaconda3/Anaconda3-2022.05.eb
Original file line number Diff line number Diff line change
@@ -0,0 +1,29 @@
# author: Jillian Rowe <jillian.e.rowe@gmail.com>
# config upgrade to v5.1.0 by Adam Huffman <adam.huffman@bdi.ox.ac.uk>
# config upgrade to v5.0.1, v5.3.0, 2018.12, 2019.07,
# 2019.10, 2020.2, 2020.11, 2022.05 by J. Hein <joachim.hein@lunarc.lu.se>
# config upgrade to 2019.03 by Davide Vanzo <davide.vanzo@vanderbilt.edu>
easyblock = 'EB_Anaconda'

name = 'Anaconda3'
version = '2022.05'

homepage = 'https://www.anaconda.com'
description = """Built to complement the rich, open source Python community,
the Anaconda platform provides an enterprise-ready data analytics platform
that empowers companies to adopt a modern open data science analytics architecture.
"""

toolchain = SYSTEM

source_urls = ['https://repo.anaconda.com/archive/']
sources = ['%(name)s-%(version)s-Linux-%(arch)s.sh']

checksums = [
{
'%(name)s-%(version)s-Linux-x86_64.sh': 'a7c0afe862f6ea19a596801fc138bde0463abcbce1b753e8d5c474b506a2db2d',
'%(name)s-%(version)s-Linux-ppc64le.sh': 'a50bf5bd26b5c5a2c24028c1aff6da2fa4d4586ca43ae3acdf7ffb9b50d7f282',
}
]

moduleclass = 'lang'
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