Skip to content
Snippets Groups Projects
Normal view Permalink
karolina-changelog.md 349 KiB
Newer Older
easybuild's avatar
Mon, 04 Mar 2024 07:20:05 +0100 Changelog  
easybuild committed
9001 9002 9003 9004 9005 9006 9007 9008 9009 9010 9011 9012 9013 9014 9015 9016 9017 9018 9019 9020 9021 9022 9023 9024 9025 9026 9027 9028 9029 9030 9031 9032 9033 9034 9035 9036 9037 9038 9039 9040 9041 9042 9043 9044 9045 9046 9047 9048 9049 9050 9051 9052 9053 9054 9055 9056 9057 9058 9059 9060 9061 9062 9063 9064 9065 9066 9067 9068 9069 9070 9071 9072 9073 9074 9075 9076 9077 9078 9079 9080 9081 9082 9083 9084 9085 9086 9087 9088 9089 9090 9091 9092 9093 9094 9095 9096 9097 9098 9099 9100 9101 9102 9103 9104 9105 9106 9107 9108 9109 9110 9111 9112 9113 9114 9115 9116 9117 9118 9119 9120 9121 9122 9123 9124 9125 9126 9127 9128 9129 9130 9131 9132 9133 9134 9135 9136 9137 9138 9139 9140 9141 9142 9143 9144 9145 9146 9147 9148 9149 9150 9151 9152 9153 9154 9155 9156 9157 9158 9159 9160 9161 9162 9163 9164 9165 9166 9167 9168 9169 9170 9171 9172 9173 9174 9175 9176 9177 9178 9179 9180 9181 9182 9183 9184 9185 9186 9187 9188 9189 9190 9191 9192 9193 9194 9195 9196 9197 9198 9199 9200 9201 9202 9203 9204 9205 9206 9207 9208 9209 9210 9211 9212 9213 9214 9215 9216 9217 9218 9219 9220 9221 9222 9223 9224 9225 9226 9227 9228 9229 9230 9231 9232 9233 9234 9235 9236 9237 9238 9239 9240 9241 9242 9243 9244 9245 9246 9247 9248 9249 9250 9251 9252 9253 9254 9255 9256 9257 9258 9259 9260 9261 9262 9263 9264 9265 9266 9267 9268 9269 9270 9271 9272 9273 9274 9275 9276 9277 9278 9279 9280 9281 9282 9283 9284 9285 9286 9287 9288 9289 9290 9291 9292 9293 9294 9295 9296 9297 9298 9299 9300 9301 9302 9303 9304 9305 9306 9307 9308 9309 9310 9311 9312 9313 9314 9315 9316 9317 9318 9319 9320 9321 9322 9323 9324 9325 9326 9327 9328 9329 9330 9331 9332 9333 9334 9335 9336 9337 9338 9339 9340 9341 9342 9343 9344 9345 9346 9347 9348 9349 9350 9351 9352 9353 9354 9355 9356 9357 9358 9359 9360 
   * add PMIx/3.2.5,1
   * add PMIx/4.2.6,1
   * add PMIx/4.2.6-GCC-12.2.0,1
   * add PMIx/5.0.1,1
   * add PnetCDF/1.12.3-gompi-2022a,1
   * add poppler/22.12.0-GCC-11.3.0,1
   * add protobuf/23.0-GCCcore-12.2.0,1
   * add protobuf-python/4.23.0-GCCcore-12.2.0,1
   * add pytest-rerunfailures/12.0-GCCcore-12.2.0,1
   * add pytest-shard/0.1.2-GCCcore-12.2.0,1
   * remove PyTorch/1.10.0-fosscuda-2020b,1
   * add PyTorch/1.13.1-foss-2022b,1
   * add Qt6/6.5.3-GCCcore-12.2.0,1
   * remove ScaLAPACK/2.0.2-gompi-2018a-OpenBLAS-0.2.20,1
   * add ScaFaCoS/1.0.4-foss-2022a,1
   * remove scikit-learn/0.23.2-fosscuda-2020b,1
   * remove SciPy-bundle/2020.11-fosscuda-2020b,1
   * add spglib-python/2.0.0-foss-2022a,1
   * add SuperLU_DIST/8.1.2-foss-2022b,1
   * add SWIG/4.0.2-GCCcore-11.3.0,1
   * add tbb/2021.5.0-GCCcore-11.3.0,1
   * add TensorFlow/2.11.0-foss-2022a-CUDA-11.7.0,1
   * remove TensorFlow/2.4.1-fosscuda-2020b,1
   * remove TensorFlow/2.5.0-fosscuda-2020b,1
   * add texlive/20230313-GCC-11.3.0,1
   * remove Theano/1.1.2-fosscuda-2020b-PyMC,1
   * remove torchaudio/0.10.0-fosscuda-2020b-PyTorch-1.10.0,1
   * remove torchvision/0.11.3-fosscuda-2020b-PyTorch-1.10.0,1
   * add UCC/1.2.0-GCCcore-12.3.0,1
   * add UCX/1.14.1-GCCcore-11.3.0,1
   * add UCX-CUDA/1.14.1-GCCcore-11.3.0-CUDA-12.2.0,1
   * add VASP/6.4.2-intel-2022b,1
   * add VASP/6.4.2-intel-2022b-DFT-D4,1
   * add VisIt/2.13.3,1
   * remove VMD/1.9.4a51-fosscuda-2020b,1
   * add Voro++/0.4.6-GCCcore-11.3.0,1
   * add VTK/9.2.2-foss-2022a,1
   * add Wannier90/3.1.0-intel-2022b-serial,1
   * add xorg-macros/1.20.0-GCCcore-12.3.0,1
   * add Z3/4.12.2-GCCcore-12.2.0,1
   * add zlib/1.2.12-GCCcore-12.3.0,1

## Wed Sep 13 13:15:03 2023 

   * add arpack-ng/3.8.0-intel-2022a,1
   * add pkg-config/0.29.2-GCCcore-11.3.0,1

## Wed Sep 13 13:00:03 2023 

   * add DFTB+/23.1-intel-2022a,1
   * add dftd3-lib/0.9.2-GCC-11.3.0,1

## Wed Sep 13 12:30:03 2023 

   * add ELSI/2.9.1-intel-2022a,1
   * add tblite/0.3.0-intel-2022a,1

## Wed Sep 13 10:45:03 2023 

   * add ELPA/2022.05.001-intel-2022a,1

## Wed Sep 13 10:00:03 2023 

   * add dftd3-lib/0.9.2-GCC-12.2.0,1

## Wed Sep 13 09:15:03 2023 

   * add tblite/0.3.0-intel-2022b,1

## Wed Sep 13 09:00:03 2023 

   * add OVITO/3.9.2-GCCcore-12.2.0-pro,1

## Wed Sep 13 08:30:03 2023 

   * add CMake/3.26.3-GCCcore-12.3.0,1
   * add double-conversion/3.3.0-GCCcore-12.3.0,1
   * add libarchive/3.6.2-GCCcore-12.3.0,1
   * add libpng/1.6.39-GCCcore-12.3.0,1
   * add Meson/1.1.1-GCCcore-12.3.0,1
   * add PCRE2/10.42-GCCcore-12.3.0,1
   * add Python/2.7.18-GCCcore-12.3.0,1
   * add re2c/3.1-GCCcore-12.3.0,1

## Wed Sep 13 08:15:03 2023 

   * add gperf/3.1-GCCcore-12.3.0,1
   * add Ninja/1.11.1-GCCcore-12.3.0,1

## Tue Sep 12 09:00:02 2023 

   * add cURL/8.0.1-GCCcore-12.3.0,1
   * add expat/2.5.0-GCCcore-12.3.0,1
   * add git/2.41.0-GCCcore-12.3.0-nodocs,1

## Tue Sep 12 08:45:03 2023 

   * add EasyBuild/4.8.1,1

## Fri Sep 8 11:00:03 2023 

   * add parallel/20230722-GCCcore-12.2.0,1

## Thu Sep 7 19:45:03 2023 

   * add ANSYS/2023R1-alamerini,1

## Thu Sep 7 12:00:03 2023 

   * add ANSYS/2023R1-intel-2022a-alamerini,1

## Mon Sep 4 15:00:02 2023 

   * add MUMPS/5.6.1-foss-2022b-metis,1

## Mon Sep 4 14:45:09 2023 

   * add ParMETIS/4.0.3-gompi-2022b,1

## Mon Sep 4 14:30:03 2023 

   * add SuiteSparse/5.13.0-foss-2022b-METIS-5.1.0,1

## Mon Sep 4 14:00:03 2023 

   * add HDF5/1.10.3-foss-2022b,1
   * add MEDCoupling/9.10.0-foss-2022b,1
   * add medfile/4.1.1-foss-2022b,1
   * add SALOME_CONFIGURATION/9.10.0,1
   * add SWIG/4.1.1-GCCcore-12.2.0,1

## Mon Sep 4 12:45:03 2023 

   * add GCC/12.3.0,1
   * add gettext/0.21.1-GCCcore-12.3.0,1
   * add gzip/1.12-GCCcore-12.3.0,1
   * add ICU/73.2-GCCcore-12.3.0,1
   * add libxml2/2.11.4-GCCcore-12.3.0,1
   * add lz4/1.9.4-GCCcore-12.3.0,1
   * add Python/3.11.3-GCCcore-12.3.0,1
   * add Python/3.11.3-GCCcore-12.3.0-test,1
   * add Python/3.8.6-GCCcore-10.2.0-alpha,1
   * add SQLite/3.33.0-GCCcore-9.3.0,1
   * add zstd/1.5.5-GCCcore-12.3.0,1

## Mon Sep 4 10:00:02 2023 

   * add libffi/3.4.4-GCCcore-12.3.0,1
   * add SQLite/3.42.0-GCCcore-12.3.0,1
   * add Tcl/8.6.13-GCCcore-12.3.0,1

## Mon Sep 4 09:45:03 2023 

   * add AlphaPulldown/0.30.7-fosscuda-2020b,1
   * add bzip2/1.0.8-GCCcore-12.3.0,1
   * add libreadline/8.2-GCCcore-12.3.0,1
   * add ncurses/6.4-GCCcore-12.3.0,1
   * add UnZip/6.0-GCCcore-12.3.0,1
   * add XZ/5.4.2-GCCcore-12.3.0,1

## Mon Sep 4 09:30:03 2023 

   * remove AlphaPulldown/0.30.7-fosscuda-2020b,1

## Fri Sep 1 16:45:03 2023 

   * add ORCA/5.0.3-foss-2022a,1

## Fri Sep 1 16:15:03 2023 

   * add ORCA/5.0.3-foss-2022b,1

## Tue Aug 29 09:30:03 2023 

   * add PSI4/1.8.1-foss-2022b,1

## Tue Aug 29 08:45:03 2023 

   * add networkx/3.1-foss-2022b,1
   * add psutil/5.9.5-GCCcore-12.2.0,1

## Mon Aug 28 11:45:03 2023 

   * add libxc/6.1.0-GCC-12.2.0,1

## Mon Aug 28 11:15:03 2023 

   * add pytest/7.2.2-GCCcore-12.2.0,1

## Mon Aug 28 09:15:03 2023 

   * add CheMPS2/1.8.12-foss-2022b,1

## Mon Aug 28 08:45:03 2023 

   * add xtb/6.5.1-foss-2022a,1

## Wed Aug 23 11:15:02 2023 

   * add imkl-FFTW/2023.1.0-iimpi-2023a,1
   * add intel/2023a,1

## Wed Aug 23 11:00:03 2023 

   * add iimpi/2023a,1
   * add imkl/2023.1.0,1
   * add impi/2021.9.0-intel-compilers-2023.1.0,1
   * add intel-compilers/2023.1.0,1

## Tue Aug 22 13:15:04 2023 

   * add Autoconf/2.71,1
   * add Automake/1.16.5,1
   * add Autotools/20220317,1
   * add libtool/2.4.7,1
   * add NCCL/2.18.3-NVHPC-23.7-CUDA-12.2.0,1
   * add numactl/2.0.16,1
   * add NVHPC/23.7,1

## Thu Aug 17 14:00:04 2023 

   * add NCCL/2.12.12-CUDA-12.2.0,1
   * add NCCL/2.12.12-GCCcore-12.2.0-CUDA-12.2.0,1
   * add NCCL/2.18.3-CUDA-12.2.0,1

## Thu Aug 17 13:45:03 2023 

   * add VASP/6.4.2-NVHPC-23.5-CUDA-12.2.0,1

## Thu Aug 17 13:30:04 2023 

   * remove OpenMPI/4.1.5-NVHPC-23.5,1

## Thu Aug 17 13:15:03 2023 

   * add NCCL/2.18.3-GCCcore-12.2.0-CUDA-12.2.0,1

## Thu Aug 17 12:00:04 2023 

   * add FFTW.MPI/3.3.10-NVHPC-23.5-CUDA-12.2.0,1
   * add ScaLAPACK/3.0-NVHPC-23.5-CUDA-12.2.0,1

## Thu Aug 17 11:45:03 2023 

   * add OpenMPI/4.1.5-NVHPC-23.5-CUDA-12.2.0,1

## Thu Aug 17 11:00:04 2023 

   * add FFTW/3.3.10-NVHPC-23.5-CUDA-12.2.0,1

## Thu Aug 17 10:45:02 2023 

   * add HDF5/1.14.0-NVHPC-23.5,1

## Thu Aug 17 10:30:05 2023 

   * add BLIS/3.1-GCCcore-12.2.0-amd,1
   * add libFLAME/5.2.0-GCCcore-12.2.0,1
   * add QD/2.3.17-NVHPC-23.5,1
   * add ScaLAPACK/3.0-NVHPC-23.5,1

## Wed Aug 16 11:15:02 2023 

   * add AlphaPulldown/0.30.7-fosscuda-2020b,1

## Tue Aug 15 12:30:02 2023 

   * add cctbx-base/2020.8-fosscuda-2020b,1
   * add mrcfile/1.3.0-fosscuda-2020b,1
   * add TensorFlow/2.4.1-fosscuda-2020b,1

## Tue Aug 15 10:30:04 2023 

   * add OpenMM/7.5.0-fosscuda-2020b,1

## Mon Aug 14 13:15:03 2023 

   * add AlphaPulldown/0.30.7-foss-2020b,1

## Mon Aug 14 12:45:02 2023 

   * add IPython/7.18.1-GCCcore-10.2.0,1
   * add JupyterLab/2.2.8-GCCcore-10.2.0,1
   * add libsodium/1.0.18-GCCcore-10.2.0,1
   * add OpenPGM/5.2.122-GCCcore-10.2.0,1
   * add TensorFlow/2.4.1-foss-2020b,1
   * add tqdm/4.56.2-GCCcore-10.2.0,1
   * add ZeroMQ/4.3.3-GCCcore-10.2.0,1

## Mon Aug 14 10:30:04 2023 

   * add h5py/3.1.0-foss-2020b,1

## Mon Aug 14 10:15:02 2023 

   * add Biopython/1.78-foss-2020b,1
   * add cctbx-base/2020.8-foss-2020b,1
   * add jax/0.2.19-foss-2020b,1
   * add LIBSVM/3.25-GCCcore-10.2.0,1
   * add mrcfile/1.3.0-foss-2020b,1

## Mon Aug 14 09:30:05 2023 

   * add OpenMM/7.5.0-foss-2020b,1

## Thu Aug 10 13:15:02 2023 

   * add DMTCP/3.0.0-GCCcore-11.3.0,1

## Wed Aug 9 11:45:02 2023 

   * add FFTW/3.3.10-NVHPC-23.5,1

## Tue Aug 8 20:45:02 2023 

   * add OpenMPI/4.1.5-NVHPC-23.5,1

## Tue Aug 8 20:30:03 2023 

   * remove OpenMPI/4.1.5-NVHPC-23.5,1

## Tue Aug 8 12:30:03 2023 

   * add UCC/1.1.0-GCCcore-12.2.0,1

## Tue Aug 8 12:15:03 2023 

   * remove UCC/1.1.0-GCCcore-12.2.0,1

## Tue Aug 8 12:00:10 2023 

   * add OpenMPI/4.1.5-NVHPC-23.5,1

## Tue Aug 8 11:00:03 2023 

   * add UCX-CUDA/1.14.1-GCCcore-12.2.0-CUDA-12.2.0,1

## Tue Aug 8 10:45:03 2023 

   * add UCX/1.14.1-GCCcore-12.2.0,1
   * remove UCX-CUDA/1.14.1-GCCcore-12.2.0-CUDA-12.2.0,1

## Tue Aug 8 10:15:03 2023 

   * remove UCX/1.14.1-GCCcore-12.2.0,1

## Tue Aug 8 10:00:02 2023 

   * add NCCL/2.16.2-GCCcore-12.2.0-CUDA-12.2.0,1
   * add UCC-CUDA/1.1.0-GCCcore-12.2.0-CUDA-12.2.0,1

## Tue Aug 8 09:45:02 2023 

   * add UCX/1.14.0-GCCcore-12.2.0,1
   * add UCX/1.14.1-GCCcore-12.2.0,1
   * add UCX-CUDA/1.14.1-GCCcore-12.2.0-CUDA-12.2.0,1

## Mon Aug 7 08:30:03 2023 

   * add NVSHMEM/2.7.0-gompi-2022a-CUDA-11.7.0,1
Show full blame