From 93efb2b88c4dc2f39b5313e859f3f59c34ca0e32 Mon Sep 17 00:00:00 2001 From: Miguel Dias Costa Date: Fri, 7 Jul 2023 09:57:45 +0800 Subject: [PATCH 1/2] prepare release notes for EasyBuild v4.8.0 + bump version to 4.8.0 --- RELEASE_NOTES | 77 ++++++++++++++++++++++++++++++++++++++++++++++++++- setup.py | 2 +- 2 files changed, 77 insertions(+), 2 deletions(-) diff --git a/RELEASE_NOTES b/RELEASE_NOTES index 26d8721fa48..e26937b2606 100644 --- a/RELEASE_NOTES +++ b/RELEASE_NOTES @@ -3,10 +3,84 @@ 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 17,098 easyconfig files, for 3,085 different software packages, +The latest version of easybuild-easyconfig provides 17,511 easyconfig files, for 3,161 different software packages, incl. 39 different (compiler) toolchains. +v4.8.0 (7 Jul 2023) +-------------------- + +feature release + +- added easyconfigs for foss/2023a (#18264) and intel/2023a (#18275) common toolchains +- added example easyconfig files for 76 new software packages: + - 3d-dna (#9258), affinity (#18051), AIMAll (#13153), alleleIntegrator (#17923), AlphaPulldown (#17774), + ASCAT (#17923), ASF-SearchAPI (#18179), ATAT (#18213), AutoDockSuite (#9678), axel (#10961), BayesPrism (#17885), + BGC-Bayesian-genomic-clines (#18005), CalculiX-CrunchiX (#16805), CASA (#18055), cctbx-base (#17774), + Circuitscape (#16720), CppHeaderParser (#18272), CuCLARK (#9482), cuteSV (#18077), DALI (#18204), DaliLite (#17989), + DEICODE (#18181), dm-haiku (#18013), dominate (#18086), dx-toolkit (#18232), easel (#18156), ecFlow (#15719), + EDirect (#17479), FragPipe (#18161), GEM (#18120), gemelli (#18120), GLIMPSE (#18163), GRIDSS (#18170), + HOOMD-blue (#18224), KerasTuner (#18197), LayoutParser (#18220), LISFLOOD-FP (#18194), LuaRocks (#18073), + mannkendall (#18043), MOB-suite (#16798), molecularGSM (#13150), MONAI-Label (#18180), MView (#18198), + NanoStat (#18201), oxDNA (#18214), pastml (#15336), pbipa (#18229), Perl-bundle-CPAN (#17970), PheWeb (#10951), + plinkliftover (#18136), pmt (#18052), PyBioLib (#18124), Pychopper (#10344), pydicom-seg (#18180), pyMannKendall (#18044), + pypmt (#18045), python-mujoco (#18253), pytorch-CycleGAN-pix2pix (#18086), PyTorch-Image-Models (#18220), PyWBGT (#17980), + Safetensors (#18220), Sniffles (#18048), strace (#14381), Structure_threader (#18219), subset-bam (#18032), SVclone (#18084), + SVIM (#18071), Tapenade (#18109), TensorFlow-Graphics (#17465), timm (#17787), Trinotate (#18124), Ultralytics (#17894), + visdom (#18086), wrapt (#18125), xclip (#17055), xdotool (#17055) +- added additional easyconfigs for various supported software packages, including: + - 3d dna, ABINIT 9.2.1, ABINIT 9.2.1, Abseil 20230125.2, affinity 20230524, affinity 20230524, AGAT 1.1.0, AIMAll 19.10.12, alleleCount 4.2.1, alleleIntegrator 0.8.8, AlphaPulldown 0.30.4, AlphaPulldown 0.30.4, AMS 2023.101, Anaconda3 2023.03, ANSYS 2023R1.eb, ASCAT 3.1.2, ASF SearchAPI, ATAT 3.36, attr 2.5.1, AUGUSTUS 3.5.0, Autoconf 2.71, Autoconf 2.71, AutoDock GPU, AutoDockSuite 4.2.6, Automake 1.16.5, Automake 1.16.5, Autotools 20220317, Autotools 20220317, axel 2.17.9, axel 2.17.9, Bandage 0.9.0, barrnap 0.9, BayesPrism 2.0, BayesTraits 3.0.2, BBMap 39.01, BGC Bayesian, binutils 2.40, BioPerl 1.7.8, Bismark 0.24.1, Bison 3.8.2, BLAST+ 2.14.0, BLAT 3.7, BLIS 0.9.0, boto3 1.26.163, Bowtie2 2.5.1, build 0.10.0, BUSCO 5.4.7, CalculiX CrunchiX, canu 2.2, CASA 6.5.5, ccache 4.6.3, cctbx base, cctbx base, CD HIT, Cellpose 2.2.2, Cellpose 2.2.2, CHERAB 1.4.0, CHERAB 1.4.0, Circuitscape 5.12.3, CLHEP 2.4.5.3, CLHEP 2.4.6.2, CmdStanR 0.5.2, CNVkit 0.9.10, corner 2.2.2, CppHeaderParser 2.7.4, CuCLARK 1.1, CUDA 12.1.1.eb, CUDA 12.2.0.eb, cuDNN 8.9.2.26, cutadapt 2.10, cutadapt 4.4, cuTENSOR 1.7.0.1, cuteSV 2.0.3, CVXOPT 1.3.1, DALI 2.1.2, DaliLite 4.1, Dalton 2020.1, datamash 1.8, deepTools 3.5.2, DEICODE 0.2.4, DendroPy 4.5.2, DIAMOND 2.1.8, dicom2nifti 2.3.0, DIRAC 23.0, DIRAC 23.0, dm haiku, DMTCP 3.0.0, dominate 2.8.0, dorado 0.3.0, dorado 0.3.1, dtcmp 1.1.4, duplex tools, dx toolkit, easel 0.48, EasyBuild 4.7.2.eb, ecFlow 5.7.0, EDirect 19.7.20230531, edlib 1.3.9, eggnog mapper, EIGENSOFT 7.2.1, elastix 5.0.0, ELPA 2021.11.001, Emacs 28.2, emcee 3.1.4, ETE 3.1.2, Exonerate 2.4.0, Extrae 4.0.4, FASTA 36.3.8i, fastp 0.20.1, fastp 0.23.4, FFTW 3.3.10, FFTW 3.3.10, FFTW.MPI 3.3.10, FLASH 2.2.00, flex 2.6.4, FlexiBLAS 3.3.1, FLUENT 2019R3.eb, fontconfig 2.14.2, foss 2023a.eb, FragPipe 20.0, FreeSurfer 7.4.0, FreeSurfer 7.4.0, FreeSurfer 7.4.0, freetype 2.13.0, GATE 9.2, GATK 4.4.0.0, GBprocesS 4.0.0.post1, GCC 11.4.0.eb, GCCcore 11.4.0.eb, GCTA 1.94.1, GDRCopy 2.3.1, Geant4 11.0.2, Geant4 11.1.2, Geant4 data, GEM 1.5.1, GEM 1.5.1, gemelli 0.0.9, GEMMA 0.98.5, gengetopt 2.23, GenomeTools 1.6.2, GetOrganelle 1.7.7.0, gfbf 2023a.eb, gffread 0.12.7, git 2.41.0, glew 2.2.0, GLIMPSE 2.0.0, GLIMPSE 2.0.0, GLIMPSE 2.0.0, GMAP GSNAP, GMAP GSNAP, GMP 6.2.1, gompi 2023a.eb, gperf 3.1, graphite2 1.3.14, GRIDSS 2.13.2, GROMACS 2019.4, GROMACS 2019.4, GROMACS 2019.4, GROMACS 2023.1, GROMACS 2023.1, GSL 2.7, Gurobi 10.0.1, HDF5 1.12.2, HDF5 1.12.2, help2man 1.49.3, hifiasm 0.19.5, Highway 1.0.4, HMMER 3.3.2, HOOMD blue, Horovod 0.25.0, HPL 2.3, HPL 2.3, hwloc 2.9.1, iimpi 2023a.eb, imagecodecs 2022.9.26, imkl FFTW, Infernal 1.1.4, intel 2023a.eb, InterProScan 5.62, intltool 0.51.0, IQ TREE, IQ TREE, ISA L, ITK 5.2.1, ITSTool 2.0.7, JAGS 4.3.2, jq 1.5, Julia 1.9.0, jxrlib 1.1, KerasTuner 1.3.5, kim api, LAMMPS 23Jun2022, LASTZ 1.02.00, LayoutParser 0.3.4, LayoutParser 0.3.4, LERC 4.0.0, libavif 0.11.1, libcircle 0.3, libde265 1.0.11, libevent 2.1.8, libfabric 1.18.0, libheif 1.16.2, libjxl 0.8.1, LibLZF 3.6, libpciaccess 0.17, libpspio 0.2.4, libpspio 0.2.4, libpspio 0.2.4, libSBML 5.19.0, libsodium 1.0.18, libtool 2.4.7, LISFLOOD FP, LISFLOOD FP, LMDB 0.9.29, LMfit 1.2.1, lpsolve 5.5.2.11, LSD2 2.4.1, LuaJIT 2.1.0, LuaRocks 3.9.2, lwgrp 1.0.5, lxml 4.9.2, M4 1.4.19, MAFFT 7.505, MAGeCK 0.5.9.5, mannkendall 1.1.1, MATLAB 2023a.eb, MaxQuant 2.4.2.0.eb, MCR R2022a.5.eb, MedPy 0.4.0, meshio 5.3.4, Meson 1.1.1, Mesquite 2.3.0, MetaEuk 6, minimap2 2.26, MITObim 1.9.1, MMseqs2 14, MOB suite, molecularGSM 20190826, MONAI Label, MONAI Label, MPFR 4.2.0, mpifileutils 0.11.1, MuJoCo 2.2.2, MultiQC 1.14, MUMmer 4.0.0rc1, MUSCLE 5.1.0, MUST 1.7.1, MView 1.67, NAMD 2.14, nanoget 1.18.1, nanomath 1.3.0, NanoStat 1.6.0, NanoStat 1.6.0, ncbi vdb, ncbi vdb, NCCL 2.18.3, NCO 5.0.6, ncurses 6.4.eb, netCDF 4.7.4, networkx 3.0, Nextflow 23.04.2.eb, ngspice 39, Ninja 1.11.1, nnU Net, ont fast5, OpenBLAS 0.3.23, OpenFOAM v2112, OpenMM 7.4.1, OpenMPI 4.1.5, OpenPGM 5.2.122, openpyxl 3.1.2, OSU Micro, oxDNA 3.5.2, pagmo 2.18.0, parasail 2.6.2, Paraver 4.11.1, ParaView 5.11.1, pastml 1.9.34, patchelf 0.18.0, pbipa 1.8.0, PEAR 0.9.11, Perl 5.36.1, Perl 5.36.1, Perl bundle, PheWeb 1.1.20, pigz 2.7, pkg config, plinkliftover 0.3.0, PLUMED 2.5.4, PLUMED 2.5.4, PMIx 4.2.4, pmt 1.1.0, popscle 0.1, popt 1.16, POT 0.9.0, prodigal 2.6.3, PSI4 1.7, psutil 5.9.4, psycopg2 2.9.6, PyBioLib 1.1.988, PyCalib 20230531, Pychopper 2.3.1, pycocotools 2.0.6, pydicom seg, pyfaidx 0.7.2.1, pygmo 2.18.0, pyiron 0.3.0, pyMannKendall 1.4.3, PyOpenCL 2021.2.13, pypmt 1.1.0, PyQtGraph 0.13.3, Pysam 0.21.0, pySCENIC 0.12.1, pyspoa 0.0.9, pyspoa 0.0.9, Python 3.11.3, python isal, python mujoco, python parasail, PyTorch 1.13.1, pytorch CycleGAN, PyTorch Image, PyTorch Image, PyWBGT 1.0.0, PyWBGT 1.0.0, PyYAML 6.0, qcat 1.1.0, QuantumESPRESSO 6.6, rasterio 1.3.8, regionmask 0.10.0, RNA SeQC, ROOT 6.26.06, RSEM 1.3.3, Ruby 3.2.2, Rust 1.70.0, Safetensors 0.3.1, Safetensors 0.3.1, samblaster 0.1.26, ScaFaCoS 1.0.4, ScaLAPACK 2.2.0, scArches 0.5.6, segemehl 0.3.4, SEPP 4.5.1, seqtk 1.4, SimpleITK 2.1.0, Sniffles 2.0.7, SortMeRNA 2.1, SPAdes 3.15.4, spoa 4.0.7, spoa 4.0.7, SRA Toolkit, STAR 2.7.10b, stardist 0.8.3, statsmodels 0.14.0, strace 5.14, Structure_threader 1.3.10, subset bam, Subversion 1.14.2, SuiteSparse 5.13.0, SUNDIALS 6.2.0, SUNDIALS 6.2.0, SUNDIALS 6.5.1, SVclone 1.1.2, SVIM 2.0.0, Tapenade 3.16, TensorFlow 2.8.4, TensorFlow 2.9.1, TensorFlow 2.9.1, TensorFlow Graphics, tidymodels 1.1.0, timm 0.6.13, tmux 3.3a, tmux 3.3a, tmux 3.3a.eb, tokenizers 0.13.3, TopHat 2.1.2, TopHat 2.1.2, torchaudio 0.12.0, torchaudio 0.12.0, TransDecoder 5.5.0, Transformers 4.29.2, Transformers 4.30.2, Triangle 1.6, Trinity 2.15.1, Trinotate 4.0.1, UCC 1.2.0, UCC CUDA, UCX 1.14.1, UCX CUDA, Ultralytics 8.0.92, util linux, VASP 6.3.2, visdom 0.2.4, Voro++ 0.4.6, VTK 9.0.1, VTK 9.2.6, WhatsHap 1.7, wrapt 1.15.0, wrapt 1.15.0, X11 20230603, xarray 2023.4.2, xclip 0.13, xdotool 3.20211022.1, Xerces C++, Xerces C++, XlsxWriter 3.1.2, XML LibXML, xorg macros, yaml cpp, Yasm 1.3.0, ZeroMQ 4.3.4, zfp 1.0.0, zlib 1.2.13, zlib ng, Zopfli 1.0.3 +- minor enhancements, including: + - add CI check for -DCMAKE_BUILD_TYPE, should use build_type instead (#14008) + - enhance sanity check for recent LibTIFF easyconfigs (#17975) + - update JupyterLab v3.5.0 to set JUPYTERLAB_SETTINGS_DIR and JUPYTERLAB_WORKSPACES_DIR on module load (#17982) + - add RBesT extension to R 4.2.1 + 4.2.2 (+ missing epitools extension for R 4.2.2) (#18029) + - add svglite extension to R 4.2.1 + 4.2.2 (#18063) + - add FKSUM + haldensify extensions to R 4.2.2 (#18122) + - use custom easyblock for Rust 1.65.0 (#18174) and Rust 1.70.0 (#18167) + - update easyconfig for Nextflow 23.04.2 to use `install_cmds` (#18173) + - add Polychrome, shinycssloaders, princurve extensions to R 4.2.2 (#18195) + - add TrajectoryUtils + slingshot extensions to R-bundle-Bioconductor 3.16 (#18196) + - add extra packages to recent R easyconfigs (#18245) + - add extra packages to recent R-bundle-Bioconductor easyconfigs (#18246) +- various bug fixes, including: + - add patches to fix TensorFlow 2.7.1 on POWER (#16795) + - fix TensorFlow-2.8.4-foss-2021b.eb (#17058) + - stick to FFmpeg 4.4.2 as dependency for SoX 14.4.2 (#17998) + - add pkgconfig as build dependency for nodejs , required for finding ICU dependency (#18007) + - fix exec permissions for all binaries & scripts of L_RNA_scaffolder 20190530 (#18030) + - update SUNDIALS dependency for Cantera v2.6.0 to v6.5.1 + add missing dependencies (#18041) + - fix --sanity-check-only for MAGeCK v0.5.9.4 (#18047) + - enable building static libs and check for libexslt.* in libxslt (#18064) + - add -pthread flag for dorado (#18072) + - add missing patch files for Qt5 5.15.2 to fix build problems with glibc 2.34 (#18087) + - add missing pkgconf build dependency for XML-LibXML v2.0208 (#18159) + - update homepage for NWChem 7.x (#18184) + - update homepage for SUNDIALS 5.x and 6.x (#18186) + - add missing source_urls for SimpleITK (#18212) + - patch oxDNA/oxpy to use correct pip install prefix (#18214) + - patch files for QT5-5.17.7-GCCcore-12.20.0.eb for SIGSTKSZ in glibc 2.34 (#18230) + - fix incorrect version for GMAP-GSNAP 2021-12-17 (was 2021-21-17) (#18231) + - fix CUDA build of recent TensorFlow easyconfigs when using compiler symlinks (#18235) + - use patch to make ncbi-vdb 2.11.2 compatible with HDF5 1.12.2 (#18236) + - update source_urls for Velvet 1.2.10 (#18237) + - use upstream patch for symbol compatibility in XZ 5.2.5 (#18250) + - update source url for pkgconf (#18271) +- other changes: + - stop running easyconfig unit tests with Python 2.7 (#18006) + - fix toolchain for networkx-3.0 foss-2022b -> gfbf-2022b (#18061) + - remove unused PyTorch patch (#18062) + - allow multiply dependency variants of ncbi-vdb for SRA-TOolkit per easyconfigs generation, as long as versions match (#18098) + - use UCC 1.2.0 as dependency for OpenMPI 4.1.5 (component for foss/2023a toolchain) (#18127) + - use PMIx 4.2.4 as dependency for OpenMPI 4.1.5 (component for foss/2023a toolchain) (#18144) + - remove old UCC (1.1.0) from GCCcore 12.3.0 (#18145) + - bump OpenSSL 1.1 wrapper fallback to 1.1.1u (#18188) + - remove default `separate_build_dir = True` and `build_type = 'Release'` from double-conversion (#18222) + - remove default `separate_build_dir = True` and `CMAKE_BUILD_TYPE=Release` from MariaDB (#18223) + - remove incorrect '-Dgallium-drivers=swrast' configure option in ROOT easyconfigs (#18260) + - change base for intel/2023.03 to GCCcore/12.3.0 (#18263) + + v4.7.2 (27 May 2023) -------------------- @@ -99,6 +173,7 @@ update/bugfix release - bump versions in Java wrappers to latest builds that include ppc64le: Java/8.362, Java/11.0.8, Java/17.0.6 (#17775) - move Arb and polymake to gfbf/foss since FLINT is now at gfbf/foss (#17869) + v4.7.1 (March 20th 2023) ------------------------ diff --git a/setup.py b/setup.py index cf3a30f7d86..9a351bf2919 100644 --- a/setup.py +++ b/setup.py @@ -44,7 +44,7 @@ # recent setuptools versions will *TRANSFORM* something like 'X.Y.Zdev' into 'X.Y.Z.dev0', with a warning like # UserWarning: Normalizing '2.4.0dev' to '2.4.0.dev0' # This causes problems further up the dependency chain... -VERSION = '4.7.3.dev0' +VERSION = '4.8.0' MAJ_VER = VERSION.split('.')[0] MAJMIN_VER = '.'.join(VERSION.split('.')[0:2]) From 93fb7a21a6106b7072c2d749db1abf73fc212cae Mon Sep 17 00:00:00 2001 From: Kenneth Hoste Date: Fri, 7 Jul 2023 18:46:12 +0200 Subject: [PATCH 2/2] minor tweaks to release notes for EasyBuild v4.8.0 --- RELEASE_NOTES | 59 ++++++++++++++++++++++++++++++--------------------- 1 file changed, 35 insertions(+), 24 deletions(-) diff --git a/RELEASE_NOTES b/RELEASE_NOTES index e26937b2606..f3ce7640d11 100644 --- a/RELEASE_NOTES +++ b/RELEASE_NOTES @@ -22,30 +22,45 @@ feature release EDirect (#17479), FragPipe (#18161), GEM (#18120), gemelli (#18120), GLIMPSE (#18163), GRIDSS (#18170), HOOMD-blue (#18224), KerasTuner (#18197), LayoutParser (#18220), LISFLOOD-FP (#18194), LuaRocks (#18073), mannkendall (#18043), MOB-suite (#16798), molecularGSM (#13150), MONAI-Label (#18180), MView (#18198), - NanoStat (#18201), oxDNA (#18214), pastml (#15336), pbipa (#18229), Perl-bundle-CPAN (#17970), PheWeb (#10951), - plinkliftover (#18136), pmt (#18052), PyBioLib (#18124), Pychopper (#10344), pydicom-seg (#18180), pyMannKendall (#18044), - pypmt (#18045), python-mujoco (#18253), pytorch-CycleGAN-pix2pix (#18086), PyTorch-Image-Models (#18220), PyWBGT (#17980), - Safetensors (#18220), Sniffles (#18048), strace (#14381), Structure_threader (#18219), subset-bam (#18032), SVclone (#18084), - SVIM (#18071), Tapenade (#18109), TensorFlow-Graphics (#17465), timm (#17787), Trinotate (#18124), Ultralytics (#17894), - visdom (#18086), wrapt (#18125), xclip (#17055), xdotool (#17055) + NanoStat (#18201), oxDNA (#18175 + #18214), pastml (#15336), pbipa (#18229), Perl-bundle-CPAN (#17970), PheWeb (#10951), + plinkliftover (#18136), pmt (#18052), PyBioLib (#18124), Pychopper (#10344), pydicom-seg (#18180), + pyMannKendall (#18044), pypmt (#18045), python-mujoco (#18253), pytorch-CycleGAN-pix2pix (#18086), + PyTorch-Image-Models (#18220), PyWBGT (#17980), Safetensors (#18220), Sniffles (#18048), strace (#14381), + Structure_threader (#18219), subset-bam (#18032), SVclone (#18084), SVIM (#18071), Tapenade (#18109), + TensorFlow-Graphics (#17465), timm (#17787), Trinotate (#18124), Ultralytics (#17894), visdom (#18086), + wrapt (#18125), xclip (#17055), xdotool (#17055) - added additional easyconfigs for various supported software packages, including: - - 3d dna, ABINIT 9.2.1, ABINIT 9.2.1, Abseil 20230125.2, affinity 20230524, affinity 20230524, AGAT 1.1.0, AIMAll 19.10.12, alleleCount 4.2.1, alleleIntegrator 0.8.8, AlphaPulldown 0.30.4, AlphaPulldown 0.30.4, AMS 2023.101, Anaconda3 2023.03, ANSYS 2023R1.eb, ASCAT 3.1.2, ASF SearchAPI, ATAT 3.36, attr 2.5.1, AUGUSTUS 3.5.0, Autoconf 2.71, Autoconf 2.71, AutoDock GPU, AutoDockSuite 4.2.6, Automake 1.16.5, Automake 1.16.5, Autotools 20220317, Autotools 20220317, axel 2.17.9, axel 2.17.9, Bandage 0.9.0, barrnap 0.9, BayesPrism 2.0, BayesTraits 3.0.2, BBMap 39.01, BGC Bayesian, binutils 2.40, BioPerl 1.7.8, Bismark 0.24.1, Bison 3.8.2, BLAST+ 2.14.0, BLAT 3.7, BLIS 0.9.0, boto3 1.26.163, Bowtie2 2.5.1, build 0.10.0, BUSCO 5.4.7, CalculiX CrunchiX, canu 2.2, CASA 6.5.5, ccache 4.6.3, cctbx base, cctbx base, CD HIT, Cellpose 2.2.2, Cellpose 2.2.2, CHERAB 1.4.0, CHERAB 1.4.0, Circuitscape 5.12.3, CLHEP 2.4.5.3, CLHEP 2.4.6.2, CmdStanR 0.5.2, CNVkit 0.9.10, corner 2.2.2, CppHeaderParser 2.7.4, CuCLARK 1.1, CUDA 12.1.1.eb, CUDA 12.2.0.eb, cuDNN 8.9.2.26, cutadapt 2.10, cutadapt 4.4, cuTENSOR 1.7.0.1, cuteSV 2.0.3, CVXOPT 1.3.1, DALI 2.1.2, DaliLite 4.1, Dalton 2020.1, datamash 1.8, deepTools 3.5.2, DEICODE 0.2.4, DendroPy 4.5.2, DIAMOND 2.1.8, dicom2nifti 2.3.0, DIRAC 23.0, DIRAC 23.0, dm haiku, DMTCP 3.0.0, dominate 2.8.0, dorado 0.3.0, dorado 0.3.1, dtcmp 1.1.4, duplex tools, dx toolkit, easel 0.48, EasyBuild 4.7.2.eb, ecFlow 5.7.0, EDirect 19.7.20230531, edlib 1.3.9, eggnog mapper, EIGENSOFT 7.2.1, elastix 5.0.0, ELPA 2021.11.001, Emacs 28.2, emcee 3.1.4, ETE 3.1.2, Exonerate 2.4.0, Extrae 4.0.4, FASTA 36.3.8i, fastp 0.20.1, fastp 0.23.4, FFTW 3.3.10, FFTW 3.3.10, FFTW.MPI 3.3.10, FLASH 2.2.00, flex 2.6.4, FlexiBLAS 3.3.1, FLUENT 2019R3.eb, fontconfig 2.14.2, foss 2023a.eb, FragPipe 20.0, FreeSurfer 7.4.0, FreeSurfer 7.4.0, FreeSurfer 7.4.0, freetype 2.13.0, GATE 9.2, GATK 4.4.0.0, GBprocesS 4.0.0.post1, GCC 11.4.0.eb, GCCcore 11.4.0.eb, GCTA 1.94.1, GDRCopy 2.3.1, Geant4 11.0.2, Geant4 11.1.2, Geant4 data, GEM 1.5.1, GEM 1.5.1, gemelli 0.0.9, GEMMA 0.98.5, gengetopt 2.23, GenomeTools 1.6.2, GetOrganelle 1.7.7.0, gfbf 2023a.eb, gffread 0.12.7, git 2.41.0, glew 2.2.0, GLIMPSE 2.0.0, GLIMPSE 2.0.0, GLIMPSE 2.0.0, GMAP GSNAP, GMAP GSNAP, GMP 6.2.1, gompi 2023a.eb, gperf 3.1, graphite2 1.3.14, GRIDSS 2.13.2, GROMACS 2019.4, GROMACS 2019.4, GROMACS 2019.4, GROMACS 2023.1, GROMACS 2023.1, GSL 2.7, Gurobi 10.0.1, HDF5 1.12.2, HDF5 1.12.2, help2man 1.49.3, hifiasm 0.19.5, Highway 1.0.4, HMMER 3.3.2, HOOMD blue, Horovod 0.25.0, HPL 2.3, HPL 2.3, hwloc 2.9.1, iimpi 2023a.eb, imagecodecs 2022.9.26, imkl FFTW, Infernal 1.1.4, intel 2023a.eb, InterProScan 5.62, intltool 0.51.0, IQ TREE, IQ TREE, ISA L, ITK 5.2.1, ITSTool 2.0.7, JAGS 4.3.2, jq 1.5, Julia 1.9.0, jxrlib 1.1, KerasTuner 1.3.5, kim api, LAMMPS 23Jun2022, LASTZ 1.02.00, LayoutParser 0.3.4, LayoutParser 0.3.4, LERC 4.0.0, libavif 0.11.1, libcircle 0.3, libde265 1.0.11, libevent 2.1.8, libfabric 1.18.0, libheif 1.16.2, libjxl 0.8.1, LibLZF 3.6, libpciaccess 0.17, libpspio 0.2.4, libpspio 0.2.4, libpspio 0.2.4, libSBML 5.19.0, libsodium 1.0.18, libtool 2.4.7, LISFLOOD FP, LISFLOOD FP, LMDB 0.9.29, LMfit 1.2.1, lpsolve 5.5.2.11, LSD2 2.4.1, LuaJIT 2.1.0, LuaRocks 3.9.2, lwgrp 1.0.5, lxml 4.9.2, M4 1.4.19, MAFFT 7.505, MAGeCK 0.5.9.5, mannkendall 1.1.1, MATLAB 2023a.eb, MaxQuant 2.4.2.0.eb, MCR R2022a.5.eb, MedPy 0.4.0, meshio 5.3.4, Meson 1.1.1, Mesquite 2.3.0, MetaEuk 6, minimap2 2.26, MITObim 1.9.1, MMseqs2 14, MOB suite, molecularGSM 20190826, MONAI Label, MONAI Label, MPFR 4.2.0, mpifileutils 0.11.1, MuJoCo 2.2.2, MultiQC 1.14, MUMmer 4.0.0rc1, MUSCLE 5.1.0, MUST 1.7.1, MView 1.67, NAMD 2.14, nanoget 1.18.1, nanomath 1.3.0, NanoStat 1.6.0, NanoStat 1.6.0, ncbi vdb, ncbi vdb, NCCL 2.18.3, NCO 5.0.6, ncurses 6.4.eb, netCDF 4.7.4, networkx 3.0, Nextflow 23.04.2.eb, ngspice 39, Ninja 1.11.1, nnU Net, ont fast5, OpenBLAS 0.3.23, OpenFOAM v2112, OpenMM 7.4.1, OpenMPI 4.1.5, OpenPGM 5.2.122, openpyxl 3.1.2, OSU Micro, oxDNA 3.5.2, pagmo 2.18.0, parasail 2.6.2, Paraver 4.11.1, ParaView 5.11.1, pastml 1.9.34, patchelf 0.18.0, pbipa 1.8.0, PEAR 0.9.11, Perl 5.36.1, Perl 5.36.1, Perl bundle, PheWeb 1.1.20, pigz 2.7, pkg config, plinkliftover 0.3.0, PLUMED 2.5.4, PLUMED 2.5.4, PMIx 4.2.4, pmt 1.1.0, popscle 0.1, popt 1.16, POT 0.9.0, prodigal 2.6.3, PSI4 1.7, psutil 5.9.4, psycopg2 2.9.6, PyBioLib 1.1.988, PyCalib 20230531, Pychopper 2.3.1, pycocotools 2.0.6, pydicom seg, pyfaidx 0.7.2.1, pygmo 2.18.0, pyiron 0.3.0, pyMannKendall 1.4.3, PyOpenCL 2021.2.13, pypmt 1.1.0, PyQtGraph 0.13.3, Pysam 0.21.0, pySCENIC 0.12.1, pyspoa 0.0.9, pyspoa 0.0.9, Python 3.11.3, python isal, python mujoco, python parasail, PyTorch 1.13.1, pytorch CycleGAN, PyTorch Image, PyTorch Image, PyWBGT 1.0.0, PyWBGT 1.0.0, PyYAML 6.0, qcat 1.1.0, QuantumESPRESSO 6.6, rasterio 1.3.8, regionmask 0.10.0, RNA SeQC, ROOT 6.26.06, RSEM 1.3.3, Ruby 3.2.2, Rust 1.70.0, Safetensors 0.3.1, Safetensors 0.3.1, samblaster 0.1.26, ScaFaCoS 1.0.4, ScaLAPACK 2.2.0, scArches 0.5.6, segemehl 0.3.4, SEPP 4.5.1, seqtk 1.4, SimpleITK 2.1.0, Sniffles 2.0.7, SortMeRNA 2.1, SPAdes 3.15.4, spoa 4.0.7, spoa 4.0.7, SRA Toolkit, STAR 2.7.10b, stardist 0.8.3, statsmodels 0.14.0, strace 5.14, Structure_threader 1.3.10, subset bam, Subversion 1.14.2, SuiteSparse 5.13.0, SUNDIALS 6.2.0, SUNDIALS 6.2.0, SUNDIALS 6.5.1, SVclone 1.1.2, SVIM 2.0.0, Tapenade 3.16, TensorFlow 2.8.4, TensorFlow 2.9.1, TensorFlow 2.9.1, TensorFlow Graphics, tidymodels 1.1.0, timm 0.6.13, tmux 3.3a, tmux 3.3a, tmux 3.3a.eb, tokenizers 0.13.3, TopHat 2.1.2, TopHat 2.1.2, torchaudio 0.12.0, torchaudio 0.12.0, TransDecoder 5.5.0, Transformers 4.29.2, Transformers 4.30.2, Triangle 1.6, Trinity 2.15.1, Trinotate 4.0.1, UCC 1.2.0, UCC CUDA, UCX 1.14.1, UCX CUDA, Ultralytics 8.0.92, util linux, VASP 6.3.2, visdom 0.2.4, Voro++ 0.4.6, VTK 9.0.1, VTK 9.2.6, WhatsHap 1.7, wrapt 1.15.0, wrapt 1.15.0, X11 20230603, xarray 2023.4.2, xclip 0.13, xdotool 3.20211022.1, Xerces C++, Xerces C++, XlsxWriter 3.1.2, XML LibXML, xorg macros, yaml cpp, Yasm 1.3.0, ZeroMQ 4.3.4, zfp 1.0.0, zlib 1.2.13, zlib ng, Zopfli 1.0.3 + - AGAT 1.1.0, alleleCount 4.2.1, AMS 2023.101, ANSYS 2023R1, BayesTraits 3.0.2, Bismark 0.24.1, BLAST+ 2.14.0, + boto3 1.26.163, Bowtie2 2.5.1, BUSCO 5.4.7, Cellpose 2.2.2, CHERAB 1.4.0, CmdStanR 0.5.2, CNVkit 0.9.10, + corner 2.2.2, CUDA 12.1.1 + 12.2.0, cuDNN 8.9.2.26, cutadapt 4.4, cuTENSOR 1.7.0.1, CVXOPT 1.3.1, Dalton 2020.1, + datamash 1.8, deepTools 3.5.2, DIAMOND 2.1.8, DMTCP 3.0.0, dorado 0.3.0 + 0.3.1, dtcmp 1.1.4, duplex-tools 0.3.3, + elastix 5.0.0, Emacs 28.2, emcee 3.1.4, Extrae 4.0.4, fastp 0.23.4, FlexiBLAS 3.3.1, fontconfig 2.14.2, + FreeSurfer 7.4.0, freetype 2.13.0, GATK 4.4.0.0, GBprocesS 4.0.0.post1, GCC 11.4.0, GCTA 1.94.1, GDRCopy 2.3.1, + Geant4 11.1.2, Geant4-data 11.1, GetOrganelle 1.7.7.0, git 2.41.0, GMAP-GSNAP 2023-04-20, GROMACS 2023.1, + hifiasm 0.19.5, Horovod 0.25.0, hwloc 2.9.1, InterProScan 5.62, IQ-TREE 2.2.2.3, ITSTool 2.0.7, JAGS 4.3.2, + Julia 1.9.0, libfabric 1.18.0, libheif 1.16.2, libjxl 0.8.1, LibLZF 3.6, LMfit 1.2.1, LSD2 2.4.1, LuaJIT 2.1.0, + lwgrp 1.0.5, MAGeCK 0.5.9.5, MATLAB 2023a, MaxQuant 2.4.2.0.eb, MCR R2022a.5, meshio 5.3.4, Meson 1.1.1, + minimap2 2.26, MMseqs2 14-7e284, mpifileutils 0.11.1, MuJoCo 2.2.2, nanomath 1.3.0, ncbi-vdb 3.0.5, NCCL 2.18.3, + Nextflow 23.04.2, ngspice 39, ont-fast5-api 4.1.1, OpenBLAS 0.3.23, OpenMPI 4.1.5, openpyxl 3.1.2, + OSU-Micro-Benchmarks 7.1-1, parasail 2.6.2, Paraver 4.11.1, ParaView 5.11.1, patchelf 0.18.0, Perl 5.36.1, + PMIx 4.2.4, POT 0.9.0, PSI4 1.7, psutil 5.9.4, psycopg2 2.9.6, PyCalib 20230531, pycocotools 2.0.6, + pyfaidx 0.7.2.1, pyiron 0.3.0, PyQtGraph 0.13.3, Pysam 0.21.0, pySCENIC 0.12.1, pyspoa 0.0.9, Python 3.11.3, + python-parasail 1.3.4, PyTorch 1.13.1, rasterio 1.3.8, regionmask 0.10.0, Ruby 3.2.2, Rust 1.70.0, ScaFaCoS 1.0.4, + seqtk 1.4, SRA-Toolkit 3.0.5, statsmodels 0.14.0, strace 5.14, Subversion 1.14.2, SUNDIALS 6.5.1, tidymodels 1.1.0, + tokenizers 0.13.3, torchaudio 0.12.0, TransDecoder 5.5.0, Transformers 4.29.2 + 4.30.2, UCC 1.2.0, UCC-CUDA 1.2.0, + UCX 1.14.1, UCX-CUDA 1.14.1, util-linux 2.39, VASP 6.3.2, VTK 9.2.6, WhatsHap 1.7, X11 20230603, xarray 2023.4.2, + XlsxWriter 3.1.2, XML-LibXML 2.0208, xorg-macros 1.20.0, zlib-ng 2.0.7 - minor enhancements, including: - add CI check for -DCMAKE_BUILD_TYPE, should use build_type instead (#14008) - enhance sanity check for recent LibTIFF easyconfigs (#17975) - - update JupyterLab v3.5.0 to set JUPYTERLAB_SETTINGS_DIR and JUPYTERLAB_WORKSPACES_DIR on module load (#17982) - - add RBesT extension to R 4.2.1 + 4.2.2 (+ missing epitools extension for R 4.2.2) (#18029) - - add svglite extension to R 4.2.1 + 4.2.2 (#18063) - - add FKSUM + haldensify extensions to R 4.2.2 (#18122) + - update JupyterLab v3.5.0 to set `$JUPYTERLAB_SETTINGS_DIR` and `$JUPYTERLAB_WORKSPACES_DIR` on loading of module (#17982) - use custom easyblock for Rust 1.65.0 (#18174) and Rust 1.70.0 (#18167) - update easyconfig for Nextflow 23.04.2 to use `install_cmds` (#18173) - - add Polychrome, shinycssloaders, princurve extensions to R 4.2.2 (#18195) - - add TrajectoryUtils + slingshot extensions to R-bundle-Bioconductor 3.16 (#18196) - - add extra packages to recent R easyconfigs (#18245) - - add extra packages to recent R-bundle-Bioconductor easyconfigs (#18246) + - add extra packages to recent R easyconfigs (#18029, #18063, #18122, #18195, #18245) + - add extra packages to recent R-bundle-Bioconductor easyconfigs (#18196, #18246) - various bug fixes, including: - add patches to fix TensorFlow 2.7.1 on POWER (#16795) - - fix TensorFlow-2.8.4-foss-2021b.eb (#17058) + - fix patches + extensions in easyconfig for TensorFlow 2.8.4 w/ foss/2021b (#17058) - stick to FFmpeg 4.4.2 as dependency for SoX 14.4.2 (#17998) - add pkgconfig as build dependency for nodejs , required for finding ICU dependency (#18007) - fix exec permissions for all binaries & scripts of L_RNA_scaffolder 20190530 (#18030) @@ -58,8 +73,7 @@ feature release - update homepage for NWChem 7.x (#18184) - update homepage for SUNDIALS 5.x and 6.x (#18186) - add missing source_urls for SimpleITK (#18212) - - patch oxDNA/oxpy to use correct pip install prefix (#18214) - - patch files for QT5-5.17.7-GCCcore-12.20.0.eb for SIGSTKSZ in glibc 2.34 (#18230) + - use patch files for Qt5 v5.17.7 to fix compatiblity with glibc 2.34 (#18230) - fix incorrect version for GMAP-GSNAP 2021-12-17 (was 2021-21-17) (#18231) - fix CUDA build of recent TensorFlow easyconfigs when using compiler symlinks (#18235) - use patch to make ncbi-vdb 2.11.2 compatible with HDF5 1.12.2 (#18236) @@ -68,17 +82,14 @@ feature release - update source url for pkgconf (#18271) - other changes: - stop running easyconfig unit tests with Python 2.7 (#18006) - - fix toolchain for networkx-3.0 foss-2022b -> gfbf-2022b (#18061) + - fix toolchain for networkx-3.0 (foss/2022b -> gfbf/2022b) (#18061) - remove unused PyTorch patch (#18062) - - allow multiply dependency variants of ncbi-vdb for SRA-TOolkit per easyconfigs generation, as long as versions match (#18098) - - use UCC 1.2.0 as dependency for OpenMPI 4.1.5 (component for foss/2023a toolchain) (#18127) - - use PMIx 4.2.4 as dependency for OpenMPI 4.1.5 (component for foss/2023a toolchain) (#18144) - - remove old UCC (1.1.0) from GCCcore 12.3.0 (#18145) + - allow multiple dependency variants of ncbi-vdb for SRA-TOolkit per easyconfigs generation, as long as versions match (#18098) - bump OpenSSL 1.1 wrapper fallback to 1.1.1u (#18188) - remove default `separate_build_dir = True` and `build_type = 'Release'` from double-conversion (#18222) - remove default `separate_build_dir = True` and `CMAKE_BUILD_TYPE=Release` from MariaDB (#18223) - remove incorrect '-Dgallium-drivers=swrast' configure option in ROOT easyconfigs (#18260) - - change base for intel/2023.03 to GCCcore/12.3.0 (#18263) + - change base compiler for intel/2023.03 to GCCcore/12.3.0 (required to use it as intel/2023a) (#18263) v4.7.2 (27 May 2023)