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   * remove SWIG/4.0.1-GCCcore-9.3.0,2
   * remove SWIG/4.0.2-GCCcore-11.2.0,2
   * remove SWIG/4.0.2-GCCcore-11.3.0,2
   * remove Szip/2.1.1-GCCcore-10.2.0,2
   * remove Szip/2.1.1-GCCcore-10.3.0,2
   * remove Szip/2.1.1-GCCcore-11.2.0,2
   * remove Szip/2.1.1-GCCcore-11.3.0,2
   * remove Szip/2.1.1-GCCcore-12.2.0,2
   * remove TB2J/0.7.1.1-Python-3.8.6-GCCcore-10.2.0,2
   * remove tbb/2020.3-GCCcore-10.2.0,2
   * remove tblite/0.2.1-intel-2020b,2
   * remove tblite/0.3.0-intel-2022a,2
   * remove Tcl/8.6.10-GCCcore-10.2.0,2
   * remove Tcl/8.6.10-GCCcore-9.3.0,2
   * remove Tcl/8.6.11-GCCcore-10.2.0,2
   * remove Tcl/8.6.11-GCCcore-10.3.0,2
   * remove Tcl/8.6.11-GCCcore-11.2.0,2
   * remove Tcl/8.6.12-GCCcore-11.3.0,2
   * remove Tcl/8.6.12-GCCcore-12.2.0,2
   * remove TensorFlow/2.11.0-foss-2022a,2
   * remove TensorFlow/2.11.0-foss-2022a-CUDA-11.7.0,2
   * remove Tk/8.6.10-GCCcore-10.2.0,2
   * remove Tk/8.6.11-GCCcore-10.2.0,2
   * remove Tk/8.6.11-GCCcore-10.3.0,2
   * remove Tk/8.6.12-GCCcore-11.3.0,2
   * remove Tkinter/3.10.4-GCCcore-11.3.0,2
   * remove Tkinter/3.8.6-GCCcore-10.2.0,2
   * remove Togl/2.0-GCCcore-10.2.0,2
   * remove Togl/2.0-GCCcore-11.3.0,2
   * remove TotalView/2022.1.11,2
   * remove TURBOMOLE/7.4.0,2
   * remove TURBOMOLE/7.4.0-mpi,2
   * remove TURBOMOLE/7.4.0-smp,2
   * remove TURBOMOLE/7.5.0,2
   * remove TURBOMOLE/7.5.0-mpi,2
   * remove TURBOMOLE/7.5.0-smp,2
   * remove Ubuntu/latest,2
   * remove Ubuntu/ubuntu_blender,2
   * remove UCC/1.0.0-GCCcore-11.3.0,2
   * remove UCC/1.1.0-GCCcore-12.2.0,2
   * remove UCC-CUDA/1.1.0-GCCcore-12.2.0-CUDA-12.2.0,2
   * remove UCX/1.10.0-GCCcore-10.3.0,2
   * remove UCX/1.11.2-GCC-10.2.0-CUDA-11.4.1,2
   * remove UCX/1.11.2-GCC-10.2.0-CUDA-11.6.0,2
   * remove UCX/1.11.2-GCCcore-11.2.0,2
   * remove UCX/1.11.2-NVHPC-21.11-CUDA-11.4.1,2
   * remove UCX/1.11.2-NVHPC-21.9-CUDA-11.4.1,2
   * remove UCX/1.11.2-NVHPC-22.2-CUDA-11.6.0,2
   * remove UCX/1.12.1-GCCcore-11.3.0,2
   * remove UCX/1.13.1-GCCcore-12.2.0,2
   * remove UCX/1.14.1-GCCcore-12.2.0,2
   * remove UCX/1.14.1-GCCcore-12.3.0,2
   * remove UCX/1.8.0-GCCcore-9.3.0,2
   * remove UCX/1.9.0-GCCcore-10.2.0,2
   * remove UCX/1.9.0-GCCcore-10.2.0-CUDA-11.1.1,2
   * remove UCX/1.9.0-GCCcore-8.2.0,2
   * remove UCX/1.9.0-GCCcore-9.3.0,2
   * remove UCX-CUDA/1.12.1-GCCcore-11.3.0-CUDA-11.7.0,2
   * remove UCX-CUDA/1.14.1-GCCcore-12.2.0-CUDA-12.2.0,2
   * remove UCX-CUDA/1.14.1-GCCcore-12.3.0-CUDA-12.1.1,2
   * remove UDUNITS/2.2.28-GCCcore-10.3.0,2
   * remove UnZip/6.0-GCCcore-10.2.0,2
   * remove UnZip/6.0-GCCcore-10.3.0,2
   * remove UnZip/6.0-GCCcore-11.2.0,2
   * remove UnZip/6.0-GCCcore-11.3.0,2
   * remove UnZip/6.0-GCCcore-12.2.0,2
   * remove UnZip/6.0-GCCcore-9.3.0,2
   * remove util-linux/2.35-GCCcore-9.3.0,2
   * remove util-linux/2.36,2
   * remove util-linux/2.36-GCCcore-10.2.0,2
   * remove util-linux/2.36-GCCcore-10.3.0,2
   * remove util-linux/2.37-GCCcore-11.2.0,2
   * remove util-linux/2.38.1-GCCcore-12.2.0,2
   * remove util-linux/2.38-GCCcore-11.3.0,2
   * remove Valgrind/3.16.1-gompi-2020b,2
   * remove Valgrind/3.16.1-intel-2020b,2
   * remove Vampir/10.0.2,2
   * remove Vampir/9.9.0,2
   * remove VASP/5.4.4-intel-2020a,2
   * remove VASP/5.4.4-intel-2020a-mkl=sequential,2
   * remove VASP/6.2.1-intel-2020b-mkl=sequential,2
   * remove VASP/6.3.0-intel-2021b-mkl=sequential,2
   * remove VASP/6.3.1-intel-2021b,2
   * remove VASP/6.3.2-NVHPC-22.2-CUDA-11.6.0,2
   * remove vaspkit/1.3.3-foss-2020b,2
   * remove Vim/9.0.0950-GCCcore-11.3.0,2
   * remove VirtualGL/2.6.5-GCC-10.3.0,2
   * remove VirtualGL/3.0-GCC-10.2.0,2
   * remove VirtualGL/3.0-GCC-11.2.0,2
   * remove VisIt/2.13.3,2
   * remove VTK/9.1.0-intel-2020b-Python-3.8.6,2
   * remove VTune/2022.2.0-intel-2021b,2
   * remove Wannier90/3.1.0-intel-2021b-serial,2
   * remove Wayland/1.20.0-GCCcore-11.2.0,2
   * remove wxWidgets/3.1.5-GCC-10.3.0,2
   * remove X11/20200222-GCCcore-9.3.0,2
   * remove X11/20201008-GCCcore-10.2.0,2
   * remove X11/20210518-GCCcore-10.3.0,2
   * remove X11/20210802-GCCcore-11.2.0,2
   * remove X11/20220504-GCCcore-11.3.0,2
   * remove X11/20221110-GCCcore-12.2.0,2
   * remove x264/20210414-GCCcore-10.3.0,2
   * remove x264/20220620-GCCcore-11.3.0,2
   * remove x265/3.5-GCCcore-10.3.0,2
   * remove x265/3.5-GCCcore-11.3.0,2
   * remove XCFun/2.1.1-GCCcore-10.3.0,2
   * remove XCrySDen/1.6.2-foss-2022a,2
   * remove XCrySDen/1.6.2-intel-2020b,2
   * remove XCrySDen/1.6.2-intel-2022a,2
   * remove xmlf90/1.5.4-iccifort-2020.4.304,2
   * remove xorg-macros/1.19.2-GCCcore-10.2.0,2
   * remove xorg-macros/1.19.2-GCCcore-9.3.0,2
   * remove xorg-macros/1.19.3-GCCcore-10.3.0,2
   * remove xorg-macros/1.19.3-GCCcore-11.2.0,2
   * remove xorg-macros/1.19.3-GCCcore-11.3.0,2
   * remove xorg-macros/1.19.3-GCCcore-12.2.0,2
   * remove Xvfb/1.20.11-GCCcore-10.3.0,2
   * remove xxd/8.2.4220-GCCcore-10.3.0,2
   * remove xxd/8.2.4220-GCCcore-11.3.0,2
   * remove XZ/5.2.5,2
   * remove XZ/5.2.5-GCCcore-10.2.0,2
   * remove XZ/5.2.5-GCCcore-10.3.0,2
   * remove XZ/5.2.5-GCCcore-11.2.0,2
   * remove XZ/5.2.5-GCCcore-11.3.0,2
   * remove XZ/5.2.5-GCCcore-9.3.0,2
   * remove XZ/5.2.7-GCCcore-12.2.0,2
   * remove XZ/5.4.2-GCCcore-12.3.0,2
   * remove Yasm/1.3.0-GCCcore-10.3.0,2
   * remove Yasm/1.3.0-GCCcore-11.3.0,2
   * remove Z3/4.8.10-GCCcore-10.2.0,2
   * remove Z3/4.8.12-GCCcore-11.2.0,2
   * remove Zip/3.0-GCCcore-11.2.0,2
   * remove Zip/3.0-GCCcore-11.3.0,2
   * remove zlib/1.2.11,2
   * remove zlib/1.2.11-GCCcore-10.2.0,2
   * remove zlib/1.2.11-GCCcore-10.3.0,2
   * remove zlib/1.2.11-GCCcore-11.2.0,2
   * remove zlib/1.2.11-GCCcore-8.2.0,2
   * remove zlib/1.2.11-GCCcore-8.3.0,2
   * remove zlib/1.2.11-GCCcore-9.3.0,2
   * remove zlib/1.2.12,2
   * remove zlib/1.2.12-GCCcore-11.3.0,2
   * remove zlib/1.2.12-GCCcore-12.1.0,2
   * remove zlib/1.2.12-GCCcore-12.2.0,2
   * remove zlib/1.2.13,2
   * remove zlib/1.2.13-GCCcore-12.3.0,2
   * remove zstd/1.4.4-GCCcore-9.3.0,2
   * remove zstd/1.4.5-GCCcore-10.2.0,2
   * remove zstd/1.4.9-GCCcore-10.3.0,2
   * remove zstd/1.5.0-GCCcore-11.2.0,2
   * remove zstd/1.5.2-GCCcore-11.3.0,2
   * remove zstd/1.5.2-GCCcore-12.2.0,2

## Mon Oct 30 11:45:02 2023 +0100
   * add Blender/3.6.5-GCC-10.3.0,2

## Tue Oct 17 08:45:02 2023 

   * add OpenMPI/4.0.5-GCC-10.2.0,2

## Tue Oct 17 08:30:03 2023 

   * remove OpenMPI/4.0.5-GCC-10.2.0,2

## Mon Oct 16 15:45:02 2023 

   * add CP2K/2022.1-foss-2022a,2

## Mon Oct 16 12:30:02 2023 

   * add libxc/5.2.3-GCC-11.3.0,2
   * add libxsmm/1.17-GCC-11.3.0,2
   * add PLUMED/2.8.0-foss-2022a,2
   * add xxd/8.2.4220-GCCcore-11.3.0,2

## Mon Oct 16 12:15:03 2023 

   * add Libint/2.7.2-GCC-11.3.0-lmax-6-cp2k,2

## Mon Oct 16 11:45:02 2023 

   * add CP2K/8.2-foss-2020b,2

## Mon Oct 16 11:00:02 2023 

   * remove CP2K/8.2-foss-2020b,2
   * add PLUMED/2.8.0-fosscuda-2020b,2

## Mon Oct 16 08:45:02 2023 

   * add PCRE/8.45,2

## Mon Oct 16 08:30:02 2023 

   * add libpng/1.5.30,2

## Mon Oct 9 09:15:02 2023 

   * add VisIt/2.13.3,2

## Tue Oct 3 14:15:02 2023 

   * add AlphaFold/2.3.4-foss-2022a-ColabFold,2

## Tue Oct 3 12:45:02 2023 

   * add AlphaFold/2.3.4-foss-2022a-CUDA-11.7.0-ColabFold,2
   * add OpenMM/8.0.0-foss-2022a-CUDA-11.7.0,2

## Tue Oct 3 12:30:02 2023 

   * add jax/0.3.25-foss-2022a-CUDA-11.7.0,2

## Tue Oct 3 11:15:05 2023 

   * add TensorFlow/2.11.0-foss-2022a-CUDA-11.7.0,2

## Tue Oct 3 10:15:07 2023 

   * add AlphaFold/2.3.1-foss-2022a,2
   * add cuDNN/8.4.1.50-CUDA-11.7.0,2
   * add NCCL/2.12.12-GCCcore-11.3.0-CUDA-11.7.0,2

## Tue Oct 3 10:00:02 2023 

   * add TensorFlow/2.11.0-foss-2022a,2

## Tue Oct 3 09:15:02 2023 

   * add jax/0.3.25-foss-2022a,2
   * add networkx/2.8.4-foss-2022a,2
   * add OpenMM/8.0.0-foss-2022a,2
   * add protobuf-python/3.19.4-GCCcore-11.3.0,2

## Tue Oct 3 09:00:02 2023 

   * add flatbuffers-python/2.0-GCCcore-11.3.0,2
   * add SWIG/4.0.2-GCCcore-11.3.0,2

## Tue Oct 3 08:45:01 2023 

   * add Bazel/5.1.1-GCCcore-11.3.0,2
   * add Biopython/1.79-foss-2022a,2
   * add dill/0.3.6-GCCcore-11.3.0,2
   * add flatbuffers/2.0.7-GCCcore-11.3.0,2
   * add giflib/5.2.1-GCCcore-11.3.0,2
   * add HH-suite/3.3.0-gompi-2022a,2
   * add HMMER/3.3.2-gompi-2022a,2
   * add JsonCpp/1.9.5-GCCcore-11.3.0,2
   * add Kalign/3.3.5-GCCcore-11.3.0,2
   * add LMDB/0.9.29-GCCcore-11.3.0,2
   * add nsync/1.25.0-GCCcore-11.3.0,2
   * add OpenMolcas/23.06-intel-2022a,2
   * add protobuf/3.19.4-GCCcore-11.3.0,2
   * add pytest-xdist/2.5.0-GCCcore-11.3.0,2
   * add Zip/3.0-GCCcore-11.3.0,2

## Tue Oct 3 08:30:03 2023 

   * add GlobalArrays/5.8.1-intel-2022a,2

## Mon Sep 25 09:45:03 2023 

   * add phono3py/2.7.0-conda,2

## Mon Sep 25 09:30:02 2023 

   * add Anaconda3/2023.07-2,2
   * add libyaml/0.2.5-GCCcore-11.3.0,2
   * add phonopy/2.20.0-conda,2
   * add phonopy/2.20.0-foss-2022a,2
   * add PyYAML/6.0-GCCcore-11.3.0,2
   * add spglib-python/2.0.0-foss-2022a,2

## Wed Sep 20 11:00:02 2023 

   * add PETSc/3.19.2-foss-2022b,2

## Wed Sep 20 10:30:22 2023 

   * add mpi4py/3.1.4-gompi-2022b,2
   * add ParMETIS/4.0.3-gompi-2022b,2
   * add SuiteSparse/5.13.0-foss-2022b-METIS-5.1.0,2
   * add SuperLU_DIST/8.1.2-foss-2022b,2

## Wed Sep 20 10:00:03 2023 

   * add Hypre/2.27.0-foss-2022b,2
   * add MPFR/4.2.0-GCCcore-12.2.0,2
   * add SciPy-bundle/2023.02-foss-2022b,2

## Wed Sep 20 09:00:02 2023 

   * add Eigen/3.4.0-GCCcore-12.2.0,2
   * add MUMPS/5.6.1-foss-2022b-metis,2
   * add pybind11/2.10.3-GCCcore-12.2.0,2

## Wed Sep 20 08:45:03 2023 

   * add Boost/1.81.0-GCC-12.2.0,2
   * add hypothesis/6.68.2-GCCcore-12.2.0,2
   * add SCOTCH/7.0.3-gompi-2022b,2

## Thu Sep 14 09:15:02 2023 

   * add arpack-ng/3.8.0-intel-2022a,2
   * add CMake/3.24.3-GCCcore-11.3.0,2
   * add DFTB+/23.1-intel-2022a,2
   * add dftd3-lib/0.9.2-GCC-11.3.0,2
   * add pkg-config/0.29.2-GCCcore-11.3.0,2
   * add tblite/0.3.0-intel-2022a,2

## Tue Sep 12 09:30:02 2023 

   * add cURL/8.0.1-GCCcore-12.3.0,2
   * add expat/2.5.0-GCCcore-12.3.0,2
   * add gettext/0.21.1-GCCcore-12.3.0,2
   * add git/2.41.0-GCCcore-12.3.0-nodocs,2
   * add libxml2/2.11.4-GCCcore-12.3.0,2
   * add ncurses/6.4-GCCcore-12.3.0,2
   * add XZ/5.4.2-GCCcore-12.3.0,2

## Tue Sep 12 09:15:02 2023 

   * add EasyBuild/4.8.1,2

## Wed Aug 23 11:00:02 2023 

   * add iimpi/2023a,2
   * add imkl/2023.1.0,2
   * add imkl-FFTW/2023.1.0-iimpi-2023a,2
   * add impi/2021.9.0-intel-compilers-2023.1.0,2
   * add intel/2023a,2
   * add intel-compilers/2023.1.0,2

## Tue Aug 22 12:45:03 2023 

   * add NCCL/2.18.3-NVHPC-23.7-CUDA-12.2.0,2
   * add NVHPC/23.7,2

## Tue Aug 22 12:30:02 2023 

   * add Automake/1.16.5,2
   * add Autotools/20220317,2
   * add libtool/2.4.7,2
   * add numactl/2.0.16,2

## Tue Aug 22 12:15:02 2023 

   * add OpenMPI/4.1.5-NVHPC-23.5-CUDA-12.2.0,2

## Mon Aug 21 11:15:02 2023 

   * remove OpenMPI/4.1.5-NVHPC-23.5-test,2

## Fri Aug 11 10:00:03 2023 

   * add OpenMPI/4.1.5-NVHPC-23.5-test,2

## Thu Aug 10 13:30:03 2023 

   * add DMTCP/3.0.0-GCCcore-11.3.0,2

## Wed Aug 9 11:15:02 2023 

   * add FFTW/3.3.10-NVHPC-23.5,2

## Wed Aug 9 10:15:02 2023 

   * add OpenMPI/4.1.5-NVHPC-23.5,2

## Wed Aug 9 08:30:02 2023 

   * add CUDA/12.2.0,2
   * add GDRCopy/2.3-GCCcore-12.2.0,2
   * add NCCL/2.16.2-GCCcore-12.2.0-CUDA-12.2.0,2
   * add UCC-CUDA/1.1.0-GCCcore-12.2.0-CUDA-12.2.0,2
   * add UCX/1.14.1-GCCcore-12.2.0,2
   * add UCX-CUDA/1.14.1-GCCcore-12.2.0-CUDA-12.2.0,2