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Tue, 31 Oct 2023 21:00:02 +0100

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## Tue Oct 31 12:45:03 2023 +0100
* add GROMACS/2023-foss-2022a-CUDA-12.2.0-PLUMED-2.9.0,1
* add GROMACS/2023-foss-2022a-CUDA-12.2.0-PLUMED-2.9.0-mpi,1
## Tue Oct 31 12:30:03 2023 +0100
* remove lmod,1
* remove settarg,1
## Tue Oct 31 11:27:32 2023 +0100
* add Abseil/20230125.2-GCCcore-12.2.0,1
* remove ADIOS2/2.7.0-gompi-2020d,1
* remove AlphaFold/2.1.2-fosscuda-2020b-TensorFlow-2.5.0,1
* add AlphaFold/2.3.1-foss-2022a,1
* add AlphaFold/2.3.4-foss-2022a-ColabFold,1
* add AlphaFold/2.3.4-foss-2022a-CUDA-11.7.0-ColabFold,1
* remove AlphaPulldown/0.30.7-fosscuda-2020b,1
* 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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