release EasyBuild 4.6.1 #16239
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release EasyBuild 4.6.1 #16239
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…ID0121
{bio}[foss/2021b] NGSpeciesID v0.1.2.1 w/ Python 3.9.6
…w.r.t. single vs double quotes)
…0a36
{bio}[GCC/11.3.0] PLINK v2.00a3.6
…t1915
{vis}[GCCcore/11.3.0] bwidget v1.9.15, Togl v2.0, XCrySDen v1.6.2
{chem}[foss/2022a] ASE v3.22.1, Flask v2.2.2, spglib-python v2.0.0 w/ Python 3.10.4
… suite aware that dumped easyconfig uses SYSTEM constant
{chem}[GCC/11.3.0] Libint 2.7.2 (lmax-6-cp2k variant)
…ols21
{chem}[foss/2021a] AmberTools v21 w/ Python 3.9.5
…oTool50
{cae}[foss/2019b] RheoTool v5.0
…colossalai018
{bio}[foss/2021a] OpenFold v1.0.0, colossalai v0.1.8, einops v0.4.1, OpenMM 7.5.1 (incl. AlphaFold patch) w/ Python 3.9.5 + CUDA 11.3.1
…asyconfigs into 20220805150718_new_pr_FastFold20220729
…asyconfigs into 20220806071403_new_pr_AlphaFold212
…ools-21_fix_DGESVD_workspace_query.patch, AmberTools-21_fix_incorrect_dvout_call.patch, AmberTools-21_fix_incorrect_mexit_calls.patch, AmberTools-21_fix_more_blas_argument_problems.patch, AmberTools-21_fix_multiple_definition.patch, AmberTools-21_fix_potential_use_before_init.patch, AmberTools-21_fix_rism_argument_mismatch.patch, AmberTools-21_fix_xray_fftpack_arg_mismatch.patch, AmberTools-22_fix_missing_error_check_on_test_run.patch, AmberTools-22_fix_test_missing_cuda_dir.patch
make check for toolchain value in dependency spec in easyconfigs test suite aware that dumped easyconfig uses SYSTEM constant
remove superflous -DCMAKE_BUILD_TYPE=Release, use of 'build_type = Release', or enabling separate_build_dir from easyconfigs using CMakeMake easyblock
…e-Bioconductor315
{bio,tools}[foss/2022a] R-bundle-Bioconductor v3.15, arrow-R v8.0.0
…h190 add and fix patches for PyTorch 1.9.0 on POWER
fix checksum for CUDA 11.4.1 aarch64 installer
…cators22
{tools}[GCCcore/11.3.0] indicators v2.2
{bio}[system/system] Chimera v1.16
consistently add maeparser + CoordgenLibs dependencies to OpenBabel v3.1.1 easyconfigs
…Flow271 exclude (flaky) fault_tolerance_test and fix non-x86 build for TensorFlow 2.7.1
Co-authored-by: Adam Huffman <verdurin@users.noreply.github.com>
remove incorrect comment for Boost dependency in OpenBabel 3.1.1 easyconfigs
{bio}[system/system] mgltools v1.5.7
…1702008
{cae}[system/system] STAR-CCM+ v17.02.008, STAR-CCM+ v17.04.008
…ck70101 add direct Pango dependency in recent ImageMagick easyconfigs
prepare release notes for EasyBuild v4.6.1 + bump version to 4.6.1
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Going in, thanks @boegel! |
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