Merge pull request #17984 from boegel/eb472

prepare release notes for EasyBuild v4.7.2 + bump version to 4.7.2

RELEASE_NOTES

@@ -3,10 +3,102 @@ 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 16,628 easyconfig files, for 2,995 different software packages,
+The latest version of easybuild-easyconfig provides 17,098 easyconfig files, for 3,085 different software packages,
 incl. 39 different (compiler) toolchains.
 
 
+v4.7.2 (27 May 2023)
+--------------------
+
+update/bugfix release
+
+- added easyconfigs for intel/2023.03 (#17676)
+- added example easyconfig files for 89 new software packages:
+  - AGeNT (#17864), anndata (#17677), Annocript (#17910), avro-cpp (#17527), batchgenerators (#17833),
+    BoltzTraP2 (#17742), Braindecode (#17913), build (#17776), casacore (#15499), Casanovo (#17735, #17736),
+    CASPR (#17606), CellChat (#17856), CellOracle (#17507), CLIP (#17782), CodingQuarry (#17682), ColabFold (#17751),
+    CopyKAT (#17646), CPC2 (#17849), cppzmq (#17601), dask-labextension (#17882), DIALOGUE (#17696), DiCE-ML (#17591),
+    ESPResSo (#17709), Evcxr-REPL (#17831), EZC3D (#17832), funannotate (#17588), FunGAP (#17652), GATB-Core (#17635),
+    GenMap (#17746), GimmeMotifs (#17507), GLI (#17793), GOBNILP (#17639), h5netcdf (#17835), HD-BET (#17833),
+    HTSplotter (#17369, #17586), ipympl (#17613), IsoSeq (#17791), KrakenUniq (#17569), LIANA (#17928),
+    libWallModelledLES (#17480), LoRDEC (#17635), M3GNet (#17555), mandrake (#17394), mctc-lib (#16760), MOABB (#17913),
+    MRPRESSO (#17925), ont-guppy (#17477, #17828), OptaDOS (#17777), PALEOMIX (#17912), PGPLOT (#15496),
+    PICI-LIGGGHTS (#17710), pod5-file-format (#17776), powerlaw (#17647), pp-sketchlib (#17397),
+    py3Dmol (#17752), pytesseract (#17898), pytest-cpp (#17966), pytest-flakefinder (#17966), Python-bundle (#17626),
+    python-xxhash (#17844), PyTorch-bundle (#17540), qnorm (#17507), R-MXM (#17667), R-transport (#17642, #17968),
+    Raven (#15833), ReaxFF (#17780), ripunzip (#17959), RPostgreSQL (#17739), rustworkx (#17857), Scalene (#16472),
+    sceasy (#17677), SCIP (#17639), Simple-DFTD3 (#16760), SMAP (#17672), SoPlex (#17639), SoupX (#17851),
+    spektral (#15551), synthcity (#17623), sysbench (#17643), tantan (#17681), thirdorder (#17703), TOPAS (#17553),
+    Triplexator (#17866), tRNAscan-SE (#17680, #17800), turbinesFoam (#17917), unicore-uftp (#17665), vispr (#17606),
+    WCSLIB (#15497), ZIMPL (#17639)
+- added additional easyconfigs for various supported software packages, including:
+  - Abseil v20230125.2, AlphaFold v2.3.1 + v2.3.4, Arrow v11.0.0, arrow-R v11.0.0.3, astropy v5.2.2, awscli v2.11.21,
+    Bismark v0.24.0, biom-format v2.1.14, Blender v3.5.0, Blosc2 v2.8.0, Bottleneck v1.3.7, breseq v0.38.1,
+    bwa-meth v0.2.6, buildenv default for foss/2022b + CUDA 12.0.0, Cantera v2.6.0, CapnProto v0.10.3, CASTEP v22.11,
+    Clang v15.0.5, CLHEP v2.4.6.4, CMake v3.26.3, CMSeq v1.0.4, coverage v7.2.3, CP2K v9.1 + v2022.1, CPLEX v22.1.1,
+    CREST v2.11.2, cURL v8.0.1, CuPy v11.4.0, DBus v1.15.4, DBG2OLC v20200724, dlb v3.3.1, double-conversion v3.3.0,
+    Doxygen v1.9.7, expat v2.5.0, FASTA v36.3.8i, FHI-aims v221103, fio v3.34, Fiona v1.9.2, Flask v2.2.3, fmt v10.0.0,
+    freeglut v3.4.0, FUSE v3.14.1, GapFiller v2.1.2, GCC 12.3.0 + 13.1.0, GDCM v3.0.21, GitPython v3.1.31, Go v1.20.4,
+    googletest v1.13.0, gpustat v1.1, Guile v3.0.9, Gurobi v10.0.1, Harminv v1.4.2, Highway v1.0.4, IgBlast v1.21.0,
+    Imath v3.1.7, infercnvpy v0.4.2, IQ-TREE v2.2.2.3, jax v0.3.25, jupyterlmod v4.0.3, Kalign v3.3.5,
+    L_RNA_scaffolder v20190530, libaio v0.3.113, libarchive v3.6.2, libctl v4.5.1, libdeflate v1.8, libgcrypt v1.10.1,
+    libGridXC v1.1.0, libjpeg-turbo v2.1.5.1, libmaus2 v2.0.499, libopus v1.4, libpng v1.6.39, libPSML v1.1.12,
+    libRmath v4.2.1, libsigc++ v3.4.0, LibTIFF v4.5.0, libunistring v1.1, libxc v6.1.0, libxml2 v2.11.4,
+    libxslt v1.1.38, lifelines v0.27.4, lxml v4.9.2, make v4.4.1, MariaDB v10.11.2, Meep v1.26.0, MetaPhlAn v4.0.6,
+    mold v1.11.0, MPB v1.11.1, muParser v2.3.4, NAG v7.1, NAGfor v7.1, nano v7.2, NASM v2.16.01, ncurses v6.4,
+    netcdf4-python v1.6.3, networkx v2.8.8, NSS v3.89.1, numexpr v2.8.4, nvtop v3.0.1, OpenEXR v3.1.7, OpenMM v8.0.0,
+    Pandoc v3.1.2, ParaView v5.11.0, PCRE2 v10.42, PhyloPhlAn v3.0.3, phyx v1.3, picard v3.0.0, Pint v0.20.1,
+    pkgconf v1.9.5, PostgreSQL v15.2, PROJ v9.2.0, Proteinortho v6.2.3, protobuf v23.0, protobuf-python v4.23.0,
+    pydantic v1.10.4, pyFFTW v0.13.1, PyGEOS v0.14, Pyomo v6.5.0, pyparsing v3.0.9, pyperf v2.6.0, pyproj v3.5.0,
+    pytest v7.2.2, PYTHIA v8.309, Qtconsole v5.4.0, R-bundle-Bioconductor v3.16, R-tesseract v5.1.0, RE2 v2023-03-01,
+    ReFrame v4.2.0, RepeatMasker v4.1.5, RevBayes v1.2.1, rgdal v1.6-6, rioxarray v0.14.0, rocm-smi v5.4.4,
+    ROOT v6.26.10, Rtree v1.0.1, scib v1.1.3, scikit-build v0.17.2, Seaborn v0.12.2, SHAP v0.41.0, Shapely v2.0.1,
+    ShengBTE v1.5.0, SLiM v4.0.1, snappy v1.1.10, spdlog v1.11.0, spglib v2.0.2, spglib-python v2.0.2, SQLite v3.42.0,
+    Subread v2.0.4, Tcl v8.6.13, tcsh v6.24.05, torchtext v0.14.1, trimesh v3.21.5, UCC-CUDA v1.1.0, utf8proc v2.8.0,
+    Vim v9.0.1434, vsc-mympirun v5.3.1, WRF v4.4.1, xmlf90 v1.5.6, xxHash v0.8.1, XZ v5.4.2, zsh v5.9, zstd v1.5.5
+- minor enhancements, including:
+  - add local::lib extension to Perl 5.34.0 (#17679)
+  - install shared libraries for tesseract (#17721)
+  - add additional extensions to recent R easyconfigs: word2vec, tau, quanteda, ... (#17738)
+  - add extensions to R-bundle-Bioconductor 3.15: deepSNV (#17852)
+  - add extensions to R 4.2.x: dlm (#17640), PMA + unikn + ppcor (#17695), tvem (#17729), epitools (#17852)
+- various bug fixes, including:
+  - add patch for UCC 1.1.0 for multiple component paths (#17255)
+  - fix configure step for ELSI 2.5.0+ (#17288)
+  - switch bamtofastq to Cargo easyblock (#17595)
+  - add missing OpenJPEG dependency for recent GDAL versions (#17599)
+  - fix CodAn bin/* executable permissions for all users #(#17607)
+  - upgrade traitlets, ipywidgets, and widgetsnbextension + downgrade jupyterlab_widgets extensions in IPython v8.5.0 to fix known issues (#17612)
+  - add patch for GPAW-22.8.0 with 2022a toolchain to make test tolerance a bit less strict (#17618)
+  - add alternative checksum for MONAI 1.0.1 (#17628)
+  - fix paths to Perl modules in MAKER v3.01.04 (#17629)
+  - add missing dependencies and add patch for fix incorrect ids for BRAKER v2.1.6 (#17631)
+  - explicitely disable mpi/python in Boost (intel-compilers/2021.4.0) (#17638)
+  - remove LLVM build dependency from TensorFlow easyconfigs (#17641)
+  - update easyconfig for Longshot 0.4.5 to use Cargo easyblock (#17666)
+  - fix homepage in ELPA easyconfigs (due to switch to new domain) (#17697)
+  - add patch for scipy 1.10.1 extension in SciPy-bundle 2023.02 to fix broken test (#17713)
+  - use CUDA variant of OpenMM 7.5.1 as dependency for AlphaFold 2.3.0 (#17717)
+  - exclude flaky test_optim for PyTorch 1.12.1 + make excluded tests for PyTorch 1.12.1 consistent (#17726, #17730, #17731, #17737)
+  - add missing PCRE dependency for InterProScan 5.55-88.0 (#17762)
+  - fix building Python bindings of DGL, requires static libs (#17764)
+  - only use QEF gitlab source url for QuantumESPRESSO itself (#17766)
+  - add egg file to OpenCV 4.6.0 python package for pip + pkgconfig file (#17779)
+  - fix broken source URL for AOCC 4.0.0 (#17794)
+  - specify source_urls inside exts_default_options in Seurat easyconfigs to ensure correct name expansion for the archived packages (#17830)
+  - add Doxygen build dependency to X11 (#17842)
+  - FLINT needs BLAS so move it up from GCC level (#17868)
+  - fix broken tarball links for ispc 1.6, 1.10, and 1.12 easyconfigs (#17875)
+  - add dependency on PycURL to JupyterHub-3.0.0-GCCcore-11.3.0.eb (#17887)
+  - add historical repo paths to install cmd for old versions of texlive (#17893)
+  - add missing FastTreeMP binary for FastTree (#17897)
+  - add checksum for arm64 source tarball for Go 1.18.3 (#17903)
+  - add patch to fix test_quantization in PyTorch 1.12.1 (#17908)
+  - add make 4.3 as build dependency for recent OpenBLAS versions (#17924)
+- other changes:
+  - 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)
 ------------------------
 

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 = '4.7.2.dev0'
+VERSION = '4.7.2'
 
 MAJ_VER = VERSION.split('.')[0]
 MAJMIN_VER = '.'.join(VERSION.split('.')[0:2])