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Wed, 01 Nov 2023 00:45:02 +0100 Changelog  
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   * remove Amber/20.11-fosscuda-2020b-AmberTools-21.3,1
   * add Amber/22.0-foss-2022a-AmberTools-23.3-CUDA-11.7.0,1
   * add Anaconda3/2023.07-2,1
   * add ANSYS/2022R1-intel-2020b-alamerini,1
   * add ANSYS/22.1-intel-2020b-alamerini,1
   * add AOCC/4.1.0-GCCcore-12.2.0,1
   * add AOCL/4.1.0-GCCcore-12.2.0,1
   * remove apex/20210420-fosscuda-2020b,1
   * add archspec/0.1.4-GCCcore-11.3.0,1
   * remove Biopython/1.78-fosscuda-2020b,1
   * add Biopython/1.79-foss-2022a,1
   * add Blender/3.6.5-GCC-10.3.0,1
   * remove Boost/1.72.0-gompi-2020a,1
   * remove cctbx-base/2020.8-fosscuda-2020b,1
   * add Clang/17.0.2-GCCcore-12.2.0,1
   * add Clang/17.0.2-GCCcore-12.2.0-CUDA-12.2.0,1
   * remove CP2K/8.2-fosscuda-2020b,1
   * remove CuPy/8.5.0-fosscuda-2020b,1
   * add DFT-D4/3.6.0-intel-2022b-Python-3.10.8,1
   * remove ELPA/2020.11.001-fosscuda-2020b,1
   * add ELPA/2022.05.001-foss-2022b,1
   * add expecttest/0.1.3-GCCcore-12.2.0,1
   * add FFmpeg/4.4.2-GCCcore-11.3.0,1
   * remove FFTW/3.3.7-gompi-2018a,1
   * remove foss/2018a,1
   * add Forge/23.0.2,1
   * add giflib/5.2.1-GCCcore-12.2.0,1
   * remove gompi/2018a,1
   * remove gompi/2020d,1
   * remove GROMACS/2018.8-fosscuda-2020b-PLUMED-5.6-switch,1
   * remove GROMACS/2020.4-fosscuda-2020b-PLUMED-2.7.0-patch,1
   * remove GROMACS/2022-foss-2020a-constantph,1
   * remove GROMACS/2022-foss-2020a-CUDA-12.0.0-constantph,1
   * add GROMACS/2023.3-foss-2022a-CUDA-12.0.0,1
   * add GROMACS/2023.3-foss-2022a-CUDA-12.0.0-v2,1
   * remove h5py/3.1.0-fosscuda-2020b,1
   * remove HDF5/1.12.0-gompi-2020d,1
   * add HH-suite/3.3.0-gompi-2022a,1
   * add HMMER/3.3.2-gompi-2022a,1
   * add hwloc/2.8.0,1
   * add hwloc/2.9.1-GCCcore-12.3.0,1
   * add Hypre/2.27.0-foss-2022b,1
   * remove IMOD/4.11.1-fosscuda-2020b,1
   * add impi/2021.4.0-intel-compilers-2022.1.0,1
   * add impi/2021.4.0-intel-compilers-2022.2.1,1
   * add impi/2021.4.0-intel-compilers-2023.1.0,1
   * remove jax/0.2.19-fosscuda-2020b,1
   * add jax/0.3.25-foss-2022a,1
   * add jax/0.3.25-foss-2022a-CUDA-11.7.0,1
   * add Kalign/3.3.5-GCCcore-11.3.0,1
   * add kim-api/2.3.0-GCCcore-11.3.0,1
   * add LAMMPS/23Jun2022-foss-2022a-kokkos,1
   * add LAMMPS/2Aug2023-foss-2021b-CUDA-12.2.0-kokkos,1
   * add LAPACK/3.10.0-GCC-12.2.0,1
   * add libevent/2.1.11-GCCcore-9.3.0,1
   * add libevent/2.1.12,1
   * add libevent/2.1.12-GCCcore-12.3.0,1
   * add libfabric/1.11.0-GCCcore-9.3.0,1
   * add libfabric/1.18.0-GCCcore-12.3.0,1
   * remove libgpuarray/0.7.6-fosscuda-2020b,1
   * add libpciaccess/0.17-GCCcore-12.3.0,1
   * add libwebp/1.3.1-GCCcore-12.2.0,1
   * add libxsmm/1.17-GCC-12.2.0,1
   * add make/4.3-GCCcore-11.3.0,1
   * add make/4.3-GCCcore-9.3.0,1
   * remove MaSuRCA/4.0.7-foss-2020a-Perl-5.30.2,1
   * add MATLAB/R2023b,1
   * remove matplotlib/3.3.3-fosscuda-2020b,1
   * add mpi4py/3.1.4-gompi-2022b,1
   * remove mrcfile/1.3.0-fosscuda-2020b,1
   * remove numba/0.52.0-fosscuda-2020b,1
   * remove obspy/1.3.0-fosscuda-2020b,1
   * remove OpenBLAS/0.2.20-GCC-6.3.0-2.27,1
   * add OpenJPEG/2.5.0-GCCcore-11.3.0,1
   * remove OpenMM/7.5.0-fosscuda-2020b,1
   * add OpenMM/8.0.0-foss-2022a,1
   * add OpenMM/8.0.0-foss-2022a-CUDA-11.7.0,1
   * add OpenMolcas/23.06-intel-2022a,1
   * add OpenMolcas/23.06-intel-2022a-noGA,1
   * remove OpenMPI/3.1.4-GCC-6.3.0-2.27,1
   * add OpenMPI/3.1.6-GCC-10.2.0,1
   * remove OpenMPI/4.0.5-iccifort-2020.4.304,1
   * remove OpenMPI/4.0.5-NVHPC-21.2-CUDA-11.2.2,1
   * remove OpenMPI/4.0.5-NVHPC-21.2-CUDA-11.3.0,1
   * add OpenMPI/4.1.5-GCC-12.2.0,1
   * add OpenMX/3.8-intel-2023a,1
   * remove openPMD-api/0.14.4-gompi-2020d,1
   * remove ORCA/4.2.1-OpenMPI-3.1.4,1
   * add OVITO/3.7.11-gompi-2022a-basic,1
   * add OVITO/3.9.2-gompi-2022b-basic,1
   * remove PhaseLink/20210503-fosscuda-2020b,1
   * add PETSc/3.19.2-foss-2022b,1
   * add phono3py/2.7.0-conda,1
   * add phonopy/2.20.0-conda,1
   * add phonopy/2.20.0-foss-2022a,1
   * add Pillow/9.4.0-GCCcore-12.2.0,1
   * remove PLUMED/2.5.6-fosscuda-2020b-patch,1
   * remove PLUMED/2.5.6-fosscuda-2020b-switch,1
   * remove PLUMED/2.7.0-fosscuda-2020b,1
   * remove PLUMED/2.7.0-fosscuda-2020b-patch,1
   * remove PLUMED/2.7.2-fosscuda-2020b,1
   * remove PLUMED/2.8.0-fosscuda-2020b,1
   * add PLUMED/2.8.1-foss-2022a,1
   * add PLUMED/2.9.0-foss-2022a,1
   * add PLUMED/2.9.0-foss-2022a-mpi,1
   * add PMIx/3.1.5-GCCcore-9.3.0,1
   * 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
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