mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
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159 Commits
| Author | SHA1 | Message | Date | |
|---|---|---|---|---|
Lukas Krupcik
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58e312c77f |
new file: c/CMake/CMake-3.30.5-acfl-24.10.eb
new file: d/Doxygen/Doxygen-1.11.0-GCCcore-14.2.0.eb new file: g/gompi/gompi-2024it4i.eb new file: g/gzip/gzip-1.13-GCCcore-14.2.0.eb new file: h/HDF5/HDF5-1.14.5-gompi-2024it4i.eb new file: l/libiconv/libiconv-1.17-GCCcore-14.2.0.eb new file: l/lz4/lz4-1.9.4-GCCcore-14.2.0.eb new file: m/make/make-4.4.1-GCCcore-14.2.0.eb new file: n/netCDF-Fortran/netCDF-Fortran-4.6.1-gompi-2024it4i.eb new file: n/netCDF/netCDF-4.9.2-gompi-2024it4i.eb new file: o/OpenBLAS/OpenBLAS-0.3.27-GCC-14.2.0.eb new file: p/PRRTE/PRRTE-3.0.5-GCCcore-14.2.0.eb new file: s/Szip/Szip-2.1.1-GCCcore-14.2.0.eb new file: z/zstd/zstd-1.5.6-GCCcore-14.2.0.eb |
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Lukas Krupcik
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65417ffe00 |
new file: a/Autoconf/Autoconf-2.72-GCCcore-14.2.0.eb
new file: a/Autotools/Autotools-20231222-GCCcore-14.2.0.eb new file: b/bzip2/bzip2-1.0.8-GCCcore-14.2.0.eb new file: c/CMake/CMake-3.30.5-GCCcore-14.2.0.eb new file: c/cURL/cURL-8.7.1-GCCcore-14.2.0.eb new file: h/hwloc/hwloc-2.10.0-GCCcore-14.2.0.eb new file: l/libarchive/libarchive-3.7.4-GCCcore-14.2.0.eb new file: n/NVHPC/NVHPC-24.3.eb new file: n/ncurses/ncurses-6.5-GCCcore-14.2.0.eb new file: n/numactl/numactl-2.0.18-GCCcore-13.3.0.eb new file: o/OpenMPI/OpenMPI-4.1.6-NVHPC-24.3.eb new file: o/OpenMPI/OpenMPI-5.0.5-GCC-14.2.0.eb new file: p/Perl/Perl-5.38.2-GCCcore-14.2.0.eb new file: p/pkgconf/pkgconf-2.2.0-GCCcore-14.2.0.eb new file: u/UCC/UCC-1.2.0-GCCcore-13.2.0.eb modified: u/UCX/UCX-1.15.0-GCCcore-13.2.0.eb new file: x/XZ/XZ-5.4.5-GCCcore-14.2.0.eb |
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Pavel Holba
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c9c473309d | new file: h/HyperQueue/HyperQueue-0.20.0.eb | ||
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Lukas Krupcik
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2d0837939b |
new file: h/HDF5/HDF5-1.14.3-iimpi-2024a.eb
new file: n/netCDF-Fortran/netCDF-Fortran-4.6.1-iimpi-2024a.eb new file: n/netCDF/netCDF-4.9.2-iimpi-2024a.eb new file: s/Szip/Szip-2.1.1-GCCcore-13.3.0.eb new file: v/VASP/VASP-6.4.3-intel-2023b.eb new file: w/Wannier90/Wannier90-3.1.0-intel-2024a-serial.eb |
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Lukas Krupcik
|
0993e12984 |
new file: c/CUDA/CUDA-12.6.0.eb
new file: g/GDRCopy/GDRCopy-2.1-GCCcore-10.2.0-CUDA-11.6.0.eb new file: h/hwloc/hwloc-1.11.6-GCCcore-12.2.0.eb new file: m/MVAPICH2/MVAPICH2-2.2-GCC-9.3.0.eb new file: o/OpenMPI/OpenMPI-2.1.0-GCC-12.2.0.eb modified: o/OpenMX/OpenMX-3.9-foss-2022b.eb modified: u/UCX/UCX-1.12.0-GCC-10.2.0-CUDA-11.6.0.eb |
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easybuild
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52ca29cb49 | fix | ||
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easybuild
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3615ccafe1 | fix | ||
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Lukas Krupcik
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8a30a3c673 |
new file: a/Autoconf/Autoconf-2.69-foss-2022b.eb
new file: a/Autoconf/Autoconf-2.71-foss-2022b.eb new file: a/Automake/Automake-1.15.eb new file: a/Automake/Automake-1.16.eb new file: a/Autotools/Autotools-20180311-foss-2022b.eb new file: b/Boost/Boost-1.77.0-foss-2022b.eb new file: c/CMake/CMake-3.20.1-foss-2022b.eb new file: c/cURL/cURL-7.76.0-foss-2022b.eb new file: f/Firefox/Firefox-127.0.1.eb modified: f/Firefox/Firefox-44.0.2.eb new file: g/GCC/GCC-13.2.0-foss-2022b.eb new file: g/GCCcore/GCCcore-13.2.0-foss-2022b.eb modified: g/GMP/GMP-6.1.2.eb new file: h/HDF5/HDF5-1.14.0-iimpi-2023a.eb new file: j/JupyterLab/JupyterLab-4.2.0-GCCcore-13.2.0.eb new file: j/jupyter-server/jupyter-server-2.14.0-GCCcore-13.2.0.eb modified: l/libffi/libffi-3.2.1.eb modified: l/libreadline/libreadline-8.0.eb new file: l/libxc/libxc-6.2.2-NVHPC-24.3-CUDA-12.3.0.eb new file: n/ncurses/ncurses-6.2-foss-2022b.eb new file: o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.10.8.eb new file: o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.9.9.eb new file: o/OpenVDB/OpenVDB-11.0.0-foss-2022b.eb new file: p/Python/Python-3.11.5-foss-2022b.eb new file: p/Python/Python-3.9.9.eb modified: s/SQLite/SQLite-3.27.2.eb modified: t/Tcl/Tcl-8.6.9.eb new file: t/TurboVNC/TurboVNC-3.1.1-GCCcore-13.2.0.eb new file: z/zlib/zlib-1.2.10-foss-2022b.eb new file: z/zlib/zlib-1.2.11-foss-2022b.eb |
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Lukas Krupcik
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914c775b08 |
new file: b/Boost.Python-NumPy/Boost.Python-NumPy-1.83.0-gfbf-2023b.eb
modified: b/Boost/Boost-1.77.0-gompi-2021a.eb modified: c/CMake/CMake-3.16.2.eb new file: e/ELPA/ELPA-2019.11.001-intel-2021a.eb modified: e/ELPA/ELPA-2023.11.001-intel-2023b.eb modified: h/HDF5/HDF5-1.10.6-intel-2020a.eb modified: i/IOTK/IOTK-1.2.2-intel-2020a.eb modified: j/Java/Java-1.8.0_221.eb modified: n/NVHPC/NVHPC-21.9.eb modified: n/netCDF-Fortran/netCDF-Fortran-4.5.2-intel-2020a.eb modified: n/netCDF/netCDF-4.7.3-intel-2020a.eb new file: p/PETSc/PETSc-3.21.2-foss-2022b.eb new file: p/petsc4py/petsc4py-3.21.2-foss-2022b.eb modified: q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2020a-MaX.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.2-intel-2021a.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.3-intel-2021a.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.3.1-intel-2023b-gpu.eb new file: s/SLEPc/SLEPc-3.21.1-foss-2022b.eb new file: s/slepc4py/slepc4py-3.21.1-foss-2022b.eb new file: s/sqsgenerator/sqsgenerator-0.3-conda.eb modified: s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb new file: y/Yambo/Yambo-5.2.3-intel-2020a.eb |
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Lukas Krupcik
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e3350cbdb9 |
new file: h/HDF5/HDF5-1.14.4-GCC-11.3.0-serial.eb
new file: h/HyperQueue/HyperQueue-0.19.0.eb new file: o/Octopus/Octopus-2aada6cb0732113638b17ddf6f7f0be0-intel-2020b-mpi-parallel-restart.eb new file: p/Python/Python-3.11.5-GCCcore-13.2.0-sqsgenerator.eb modified: p/pymatgen/pymatgen-2022.0.12-foss-2020b.eb new file: s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb |
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Lukas Krupcik
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ec79b73c4a |
new file: c/Critic2/Critic2-1.1stable-intel-2020b.eb
modified: h/HDF5/HDF5-1.10.6-intel-2020b-parallel.eb new file: l/libcint/libcint-5.5.0-gfbf-2023b.eb new file: l/libxc/libxc-4.3.4-foss-2023b.eb modified: l/libxc/libxc-4.3.4-intel-2020b.eb modified: n/netCDF-Fortran/netCDF-Fortran-4.5.3-intel-2020b.eb modified: n/netCDF/netCDF-4.7.4-intel-2020b.eb modified: o/Octopus/Octopus-11.3-intel-2020b-mpi.eb new file: o/OpenMPI/OpenMPI-4.1.6-GCC-12.2.0-CUDA-12.4.0.eb |
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Lukas Krupcik
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ba185e3268 |
modified: a/Autoconf/Autoconf-2.69.eb
new file: a/apptainer/apptainer-1.2.5.eb new file: a/apptainer/apptainer-1.3.0.eb modified: a/apptainer/apptainer-1.3.1.eb modified: d/Dakota/Dakota-6.15.0-foss-2021b.eb modified: d/Dakota/Dakota-6.15.0-intel-2021b.eb new file: g/GSL/GSL-2.7-intel-compilers-2023.2.1.eb modified: h/HDF5/HDF5-1.12.1-foss-2021b-parallel.eb new file: h/htop/htop-3.3.0.eb new file: l/libxc/libxc-6.2.2-intel-compilers-2023.2.1.eb new file: n/netCDF-Fortran/netCDF-Fortran-4.6.1-iimpi-2023b.eb new file: n/netCDF/netCDF-4.9.2-iimpi-2023b.eb new file: o/Octopus/Octopus-14.1-intel-2023b-mpi.eb new file: s/squashfs-tools/squashfs-tools-4.6.1.eb new file: u/uncertainties/uncertainties-3.1.7-foss-2023b.eb |
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Lukas Krupcik
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2f1e8aefc7 |
new file: a/AMD-uProf/AMD-uProf-4.2.850.eb
new file: a/AOCC/AOCC-4.2.0-GCCcore-12.2.0.eb new file: a/AOCL/AOCL-4.2.0-CCcore-12.2.0.eb new file: a/ASE/ASE-3.22.1-gfbf-2023b.eb new file: a/apptainer/apptainer-1.3.1.eb modified: b/BEEF/BEEF-0.1.1-intel-2020a.eb modified: d/DFT-D4/DFT-D4-3.6.0-intel-2022b-Python-3.10.8.eb new file: d/DFT-D4/DFT-D4-3.6.0-intel-2023b-Python-3.11.5.eb new file: e/ELPA/ELPA-2023.11.001-intel-2023b.eb new file: f/FFTW.MPI/FFTW.MPI-3.3.10-NVHPC-24.1-CUDA-12.4.0.eb new file: f/FFTW.MPI/FFTW.MPI-3.3.10-NVHPC-24.3-CUDA-12.3.0.eb new file: f/FFTW/FFTW-3.3.10-NVHPC-24.1-CUDA-12.4.0.eb new file: f/FFTW/FFTW-3.3.10-NVHPC-24.3-CUDA-12.3.0.eb modified: f/FFTW/FFTW-3.3.8.eb new file: f/Forge/Forge-23.1.2.eb new file: f/ffnvcodec/ffnvcodec-11.1.5.2.eb new file: f/ffnvcodec/ffnvcodec-12.0.16.0.eb new file: g/GDRCopy/GDRCopy-2.4.1-GCCcore-12.2.0.eb modified: g/GROMACS/GROMACS-2024-foss-2022a-CUDA-12.0.0-v2.eb modified: g/GROMACS/GROMACS-4.5.5-ORCA-5.0.1-OpenMPI-4.1.1.eb modified: g/gettext/gettext-0.19.4.eb new file: h/HDF5/HDF5-1.14.0-iimpi-2022b.eb new file: h/HDF5/HDF5-1.14.3-NVHPC-24.1-CUDA-12.4.0.eb new file: h/HDF5/HDF5-1.14.3-NVHPC-24.3-CUDA-12.3.0.eb new file: h/HDF5/HDF5-1.14.3-iimpi-2023b.eb new file: i/impi/impi-2021.8.0-intel-compilers-2023.0.0.eb new file: l/libxc/libxc-5.2.3-GCC-11.3.0.eb new file: m/METIS/METIS-5.1.0-GCCcore-13.2.0.eb new file: n/NCCL/NCCL-2.21.5-GCCcore-12.2.0-CUDA-12.3.0.eb new file: n/NCCL/NCCL-2.21.5-GCCcore-12.2.0-CUDA-12.4.0.eb new file: n/NVHPC/NVHPC-24.1-CUDA-12.3.0.eb new file: n/NVHPC/NVHPC-24.1-CUDA-12.4.0.eb new file: n/NVHPC/NVHPC-24.3-CUDA-12.3.0.eb modified: n/ncurses/ncurses-6.1.eb new file: n/nvompi/nvompi-2024.1.eb new file: n/nvompi/nvompi-2024.3.eb modified: o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.11-CUDA-12.2.0.eb new file: o/OpenMPI/OpenMPI-4.1.6-NVHPC-24.1-CUDA-12.4.0.eb new file: o/OpenMPI/OpenMPI-4.1.6-NVHPC-24.3-CUDA-12.3.0.eb deleted: o/OpenSSL/OpenSSL-1.0.2n.eb deleted: o/OpenSSL/OpenSSL-1.1-test.eb deleted: o/OpenSSL/OpenSSL-1.1.eb new file: p/Python/Python-3.11.5-GCCcore-13.2.0-TB2J.eb new file: p/Python/Python-3.11.5-GCCcore-13.2.0.eb new file: q/QD/QD-2.3.17-NVHPC-24.1-CUDA-12.4.0.eb new file: q/QD/QD-2.3.17-NVHPC-24.3-CUDA-12.3.0.eb new file: s/ScaLAPACK/ScaLAPACK-3.0-NVHPC-24.1-CUDA-12.4.0.eb new file: s/ScaLAPACK/ScaLAPACK-3.0-NVHPC-24.3-CUDA-12.3.0.eb new file: s/Siesta/Siesta-5.0.0-beta1-foss-2023b.eb new file: s/scikit-build-core/scikit-build-core-0.5.0-GCCcore-13.2.0.eb new file: s/spglib-python/spglib-python-2.1.0-gfbf-2023b.eb modified: s/squashfs-tools/squashfs-tools-4.3.eb deleted: t/TB2J/TB2J-7.1.1-Python-3.8.6-GCCcore-10.2.0.eb new file: u/UCC-CUDA/UCC-CUDA-1.3.0-GCCcore-12.2.0-CUDA-12.3.0.eb new file: u/UCC-CUDA/UCC-CUDA-1.3.0-GCCcore-12.2.0-CUDA-12.4.0.eb new file: u/UCC-CUDA/UCC-CUDA-1.3.0_cuda_12_mem_ops.patch new file: u/UCC-CUDA/UCC-CUDA-1.3.0_link_against_existing_UCC_libs.patch new file: u/UCC/UCC-1.3.0-GCCcore-12.2.0.eb modified: u/UCX-CUDA/UCX-CUDA-1.14.1-GCCcore-11.3.0-CUDA-12.2.0.eb modified: u/UCX-CUDA/UCX-CUDA-1.14.1-GCCcore-12.2.0-CUDA-12.2.0.eb new file: u/UCX-CUDA/UCX-CUDA-1.16.0-GCCcore-12.2.0-CUDA-12.3.0.eb new file: u/UCX-CUDA/UCX-CUDA-1.16.0-GCCcore-12.2.0-CUDA-12.4.0.eb modified: u/UCX/UCX-1.14.1-GCCcore-11.3.0.eb modified: u/UCX/UCX-1.14.1-GCCcore-12.2.0.eb modified: u/UCX/UCX-1.14.1-GCCcore-12.3.0-test.eb new file: u/UCX/UCX-1.15.0-GCCcore-13.2.0.eb new file: u/UCX/UCX-1.16.0-GCCcore-12.2.0.eb modified: v/VASP/VASP-5.4.1-24Jun15-intel-2020b.eb modified: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-BEEF-karolina.eb modified: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-VASPsol-karolina.eb modified: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-karolina.eb modified: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb new file: v/VASP/VASP-5.4.4-intel-2022b.eb modified: v/VASP/VASP-6.3.0-intel-2020b-mkl=sequential-vtst-karolina.eb new file: v/VASP/VASP-6.4.2-NVHPC-23.11-CUDA-12.4.0.eb new file: v/VASP/VASP-6.4.2-NVHPC-24.3-CUDA-12.3.0.eb new file: v/VASP/VASP-6.4.2-intel-2022b.eb new file: v/VASP/VASP-6.4.2-intel-2023b-DFT-D4.eb new file: v/VSCode/VSCode-1.85.0.eb new file: w/Wannier90/Wannier90-3.1.0-intel-2023b-serial.eb new file: x/XALT/XALT-3.0.2.eb modified: x/XZ/XZ-5.2.5-GCCcore-9.3.0.eb |
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Lukas Krupcik
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dde97d4fde |
new file: g/GROMACS/GROMACS-2023.4-foss-2022a-CUDA-12.0.0-v2.eb
new file: g/GROMACS/GROMACS-2024-foss-2022a-CUDA-12.0.0-v2.eb new file: h/HyperQueue/HyperQueue-0.18.0.eb new file: s/stda/stda-1.6.3.eb new file: x/xtb4stda/xtb4stda-1.0.eb |
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Lukas Krupcik
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2222b4cb88 |
new file: a/ANSYS/ANSYS-2023R2-intel-2022.12-palanti.eb
new file: c/CP2K/CP2K-2024.1-foss-2022a.eb new file: h/HDF5/HDF5-1.14.0-nvompi-2022.07.eb new file: h/HDF5/HDF5-1.14.0-nvompi-2023.03.eb new file: h/HDF5/HDF5-1.14.0-nvompi-2023.05.eb new file: h/HDF5/HDF5-1.14.0-nvompi-2023.11.eb new file: n/NCCL/NCCL-2.19.4-GCCcore-13.2.0-CUDA-12.2.0.eb new file: n/NVHPC/NVHPC-23.11.eb modified: n/NVHPC/NVHPC-23.7.eb new file: n/nvompi/nvompi-2023.03.eb new file: n/nvompi/nvompi-2023.05.eb new file: n/nvompi/nvompi-2023.11.eb modified: o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb new file: o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.11-CUDA-12.2.0.eb new file: o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.11-CUDA-12.2.0.eb new file: o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.3-CUDA-12.2.0.eb new file: o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.5-CUDA-12.2.0.eb new file: p/pkgconf/pkgconf-2.0.3-NVHPC-23.11.eb new file: u/UCC-CUDA/UCC-CUDA-1.2.0-GCCcore-13.2.0-CUDA-12.2.0.eb new file: u/UCX-CUDA/UCX-CUDA-1.15.0-GCCcore-13.2.0-CUDA-12.2.0.eb deleted: h/HDF5/HDF5-1.14.0-NVHPC-23.5.eb |
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Lukas Krupcik
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59cb428266 |
new file: a/ADIOS2/ADIOS2-2.7.0-gompi-2020e.eb
new file: c/c-blosc/c-blosc-1.21.0-GCC-10.3.0.eb new file: g/gompi/gompi-2020e.eb new file: h/HDF5/HDF5-1.12.0-gompi-2020e.eb new file: l/libfabric/libfabric-1.11.0-GCCcore-10.3.0.eb new file: o/OpenMPI/OpenMPI-4.1.4-GCC-10.3.0-CUDA-11.3.1.eb new file: o/openPMD-api/openPMD-api-0.14.4-gompi-2020e.eb new file: p/PNGwriter/PNGwriter-0.7.0-GCC-10.3.0.eb |
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Lukas Krupcik
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0f39159228 |
new file: h/HyperQueue/HyperQueue-0.17.0.eb
new file: o/OpenMPI/OpenMPI-4.1.6-GCC-13.2.0.eb |
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Lukas Krupcik
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54e9fa82d5 |
modified: g/GROMACS/GROMACS-2022-fosscuda-2020b.eb
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Lukas Krupcik
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Lukas Krupcik
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8ce22eb486 |
new file: archive/OpenMPI/OpenMPI-1.10.1-GCC-4.9.3-2.25.eb
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o/OpenMPI/OpenMPI-4.0.2-GCC-8.3.0-2.32.eb deleted: o/OpenMPI/OpenMPI-4.0.3-GCC-9.3.0.eb deleted: o/OpenMPI/OpenMPI-4.0.4-GCC-8.3.0-2.32-CUDA.eb deleted: o/OpenMPI/OpenMPI-4.0.4-GCC-9.3.0-without-verbs.eb deleted: o/OpenMPI/OpenMPI-4.0.4-GCC-9.3.0.eb deleted: o/OpenMPI/OpenMPI-4.0.4-GCCcore-8.3.0.eb |
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Lukas Krupcik
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bba2619fcc |
new file: a/Amber/Amber-22.0-foss-2021b-AmberTools-23.0.eb
new file: h/HyperQueue/HyperQueue-0.16.0.eb new file: l/LAMMPS/LAMMPS-23Jun2022-foss-2021b-kokkos-SNAP.eb |
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Lukas Krupcik
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afe7bf8bae |
new file: a/ADIOS2/ADIOS2-2.7.0-gompi-2020d.eb
new file: a/ANN/ANN-1.1.2-GCC-12.2.0.eb new file: c/Cgicc/Cgicc-3.2.19-GCC-12.2.0.eb new file: c/CoordgenLibs/CoordgenLibs-3.0.1-gompi-2022b.eb new file: c/c-blosc/c-blosc-1.21.0-GCC-10.2.0.eb new file: f/FastCGI/FastCGI-2.4.2-GCC-12.2.0.eb new file: g/GDB/GDB-12.1-GCCcore-11.3.0.eb new file: g/GDB/GDB-13.2-GCCcore-12.2.0.eb new file: g/GMP/GMP-6.2.1.eb new file: g/gompi/gompi-2020d.eb new file: g/gperftools/gperftools-2.10-GCCcore-12.2.0.eb new file: h/HDF5/HDF5-1.12.0-gompi-2020d.eb modified: h/hwloc/hwloc-1.11.7-GCC-10.2.0.eb new file: i/ISL/ISL-0.24-GCCcore-12.2.0.eb new file: i/ISL/ISL-0.24.eb new file: j/JsonCpp/JsonCpp-1.9.5-GCCcore-12.2.0.eb new file: k/kim-api/kim-api-2.3.0-GCCcore-11.2.0.eb modified: l/LAMMPS/LAMMPS-23Jun2022-foss-2021b-kokkos.eb new file: l/LEMON/LEMON-1.3.1-GCC-12.2.0.eb new file: m/MPC/MPC-1.2.1-GCCcore-12.2.0.eb new file: m/MPC/MPC-1.2.1.eb new file: m/MPFR/MPFR-4.1.0-GCCcore-12.2.0.eb new file: m/maeparser/maeparser-1.3.0-gompi-2022b.eb new file: m/makeinfo/makeinfo-6.8-GCCcore-12.2.0.eb new file: o/OpenBabel/OpenBabel-3.1.1-gompi-2022b.eb new file: o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0-CUDA-12.2.0.eb modified: o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0.eb new file: o/openPMD-api/openPMD-api-0.14.4-gompi-2020d.eb new file: p/PNGwriter/PNGwriter-0.7.0-GCC-10.2.0.eb new file: s/SWIG/SWIG-4.0.2-GCCcore-12.2.0.eb |
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Lukas Krupcik
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38afdf14f3 |
new file: h/HDF5/HDF5-1.14.0-iimpi-2022b-serial.eb
new file: l/LAMMPS/LAMMPS-23Jun2022-foss-2021b-kokkos.eb deleted: h/HDF5/HDF5-1.14.0-iimpi-2022b.eb |
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Lukas Krupcik
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a3ef551a85 |
new file: a/AOMP/AOMP-17.0-1-gcccuda-2022b.eb
new file: c/CGAL/CGAL-5.2.4-gompi-2022b.eb new file: c/CGAL/CGAL-5.2.4-iimpi-2022b.eb new file: g/gcccuda/gcccuda-2022b.eb new file: g/glibc/glibc-2.37-GCCcore-12.2.0.eb new file: h/HDF5/HDF5-1.14.0-iimpi-2022b.eb new file: k/KaHIP/KaHIP-3.14-iimpi-2022b.eb new file: n/netCDF/netCDF-4.9.0-iimpi-2022b.eb new file: o/OpenFOAM/OpenFOAM-v2206-foss-2022a.eb new file: o/OpenFOAM/OpenFOAM-v2212-cleanup.patch new file: o/OpenFOAM/OpenFOAM-v2212-intel-2022b.eb new file: o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0-CUDA-11.7.0.eb new file: p/ParaView/ParaView-5.11.0-intel-2022b-mpi.eb new file: p/pkg-config/pkg-config-0.29.2-GCCcore-12.2.0.eb new file: s/SCOTCH/SCOTCH-7.0.3-gompi-2022b.eb new file: s/SCOTCH/SCOTCH-7.0.3-iimpi-2022b.eb new file: t/texinfo/texinfo-7.0.2-GCCcore-12.2.0.eb |
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Lukas Krupcik
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14688d20da | new file: h/HyperQueue/HyperQueue-0.15.0.eb | ||
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easybuild
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38f7ba240b |
new file: a/ANSYS/ANSYS-2022R2-intel-2022a.eb
new file: h/Horovod/Horovod-0.27.0-foss-2021b-CUDA-11.4.1-TensorFlow-2.8.4.eb new file: h/Horovod/Horovod-0.27.0-foss-2022a-CUDA-11.7.0-TensorFlow-2.10.1.eb new file: t/TensorFlow/TensorFlow-2.8.4-foss-2021b-CUDA-11.4.1.eb deleted: h/Horovod/Horovod-0.27.0-foss-2021a-CUDA-11.7.0-TensorFlow-2.10.1.eb |
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Jakub Kropacek
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20f7df7596 |
new file: d/DFT-D3/DFT-D3-3.2.0-intel-compilers-2022.1.0.eb
new file: h/Horovod/Horovod-0.27.0-foss-2021a-CUDA-11.7.0-TensorFlow-2.10.1.eb modified: o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.11-CUDA-11.4.1-v2.eb modified: o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.9-CUDA-11.4.1-v2.eb modified: o/OpenMPI/OpenMPI-4.0.7-NVHPC-21.9-CUDA-11.4.1.eb modified: o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0-v2.eb modified: o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0.eb new file: s/Siesta/Siesta-4.1.5-intel-2022a.eb new file: t/TensorFlow/TensorFlow-1.13.1-fosscuda-2019a-Python-3.7.2.eb new file: t/TensorFlow/TensorFlow-2.10.1-foss-2022a-CUDA-11.7.0.eb new file: t/TensorFlow/TensorFlow-2.5.0-fosscuda-2020b.eb new file: t/TensorFlow/TensorFlow-2.7.1-foss-2021b-CUDA-11.4.1.eb new file: t/TensorFlow/TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch new file: t/TensorFlow/TensorFlow-2.8.4_resolve-gcc-symlinks.patch new file: t/TensorFlow/TensorFlow-2.9.1_fix-include-def.patch new file: t/TensorFlow/TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch new file: t/TensorFlow/TensorFlow-2.9.1_remove-libclang-and-io-gcs-deps.patch new file: t/TensorFlow/TensorFlow-2.9.1_test.patch new file: t/TensorFlow/TensorFlow-test.eb new file: t/TensorFlow/Tensorflow-1.1.0-CUDA-7.5.18-Python-3.6.1.eb new file: t/TensorFlow/Tensorflow-1.1.0-CUDA-8.0.44-Python-3.6.1.eb new file: t/TensorFlow/Tensorflow-1.1.0-Python-3.6.1.eb new file: t/TensorFlow/Tensorflow-1.12.0-GCC-6.3.0-2.27-Python-3.6.1.eb new file: t/TensorFlow/Tensorflow-1.2.0-GCC-7.1.0-2.28.eb new file: t/TensorFlow/Tensorflow-1.2.1-Python-3.6.1.eb new file: t/TensorFlow/Tensorflow-1.6.0rc0-CUDA-9.0.176-Python-3.6.1.eb new file: t/TensorFlow/Tensorflow-1.6.0rc0-Python-3.6.1.eb new file: t/TensorFlow/Tensorflow-Python-3.6.1.eb new file: t/TensorFlow/old-TensorFlow-2.10.0-foss-2022a-CUDA-11.7.0.eb new file: w/WIEN2k/WIEN2k-23.2-intel-2021a.eb new file: w/WIEN2k/WIEN2k-23.2-intel-2022a.eb deleted: t/Tensorflow/TensorFlow-1.13.1-fosscuda-2019a-Python-3.7.2.eb deleted: t/Tensorflow/TensorFlow-2.10.1-foss-2022a-CUDA-11.7.0.eb deleted: t/Tensorflow/TensorFlow-2.5.0-fosscuda-2020b.eb deleted: t/Tensorflow/TensorFlow-2.7.1-foss-2021b-CUDA-11.4.1.eb deleted: t/Tensorflow/TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch deleted: t/Tensorflow/TensorFlow-2.8.4_resolve-gcc-symlinks.patch deleted: t/Tensorflow/TensorFlow-2.9.1_fix-include-def.patch deleted: t/Tensorflow/TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch deleted: t/Tensorflow/TensorFlow-2.9.1_remove-libclang-and-io-gcs-deps.patch deleted: t/Tensorflow/TensorFlow-2.9.1_test.patch deleted: t/Tensorflow/TensorFlow-test.eb deleted: t/Tensorflow/Tensorflow-1.1.0-CUDA-7.5.18-Python-3.6.1.eb deleted: t/Tensorflow/Tensorflow-1.1.0-CUDA-8.0.44-Python-3.6.1.eb deleted: t/Tensorflow/Tensorflow-1.1.0-Python-3.6.1.eb deleted: t/Tensorflow/Tensorflow-1.12.0-GCC-6.3.0-2.27-Python-3.6.1.eb deleted: t/Tensorflow/Tensorflow-1.2.0-GCC-7.1.0-2.28.eb deleted: t/Tensorflow/Tensorflow-1.2.1-Python-3.6.1.eb deleted: t/Tensorflow/Tensorflow-1.6.0rc0-CUDA-9.0.176-Python-3.6.1.eb deleted: t/Tensorflow/Tensorflow-1.6.0rc0-Python-3.6.1.eb deleted: t/Tensorflow/Tensorflow-Python-3.6.1.eb deleted: t/Tensorflow/old-TensorFlow-2.10.0-foss-2022a-CUDA-11.7.0.eb |
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Jakub Kropacek
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65da49443d |
new file: b/Boost/Boost-1.68.0-intel-2017c-serial.eb
new file: g/GROMACS/GROMACS-2018.1-intel-2017c-double-PLUMED.eb new file: g/GSL/GSL-2.5-intel-2017c.eb new file: h/HyperQueue/HyperQueue-0.14.0.eb new file: i/intel/intel-2017c.eb new file: n/NECI/NECI-20220711-foss-2022a.eb modified: o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0.eb new file: p/PLUMED/PLUMED-2.4.2-intel-2017c.eb new file: q/QMCPACK/QMCPACK-3.16.0-foss-2022a-Python-3.10.4.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-forQMCPACK.eb |
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b41f3dbc91 |
modified: h/hwloc/hwloc-2.8.0.eb
new file: l/libevent/libevent-2.1.12.eb new file: p/PMIx/PMIx-3.2.3.eb new file: p/PMIx/PMIx-4.2.2.eb new file: x/XALT/XALT-2.10.45-eb.cz new file: z/zlib/zlib-1.2.12.eb |
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Jakub Kropacek
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cbd8e2ffe7 |
new file: f/FPM/FPM-1.15.0-Ruby-3.0.3.eb
modified: g/GROMACS/GROMACS-2020.3-foss-2021a-PLUMED-2.7.2.eb new file: h/hwloc/hwloc-2.8.0.eb new file: n/nano/nano-7.1-GCCcore-12.2.0.eb new file: r/Ruby/Ruby-3.0.3.eb |
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easybuild
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5c44c32106 |
new file: a/ANSYS/ANSYS-22.2-intel-2020b.eb
new file: f/FFTW/FFTW-3.3.10-gompi-2021b-amd.eb new file: h/HyperQueue/HyperQueue-0.13.0.eb new file: o/OVITO/OVITO-3.7.11-GCCcore-11.3.0-pro.eb new file: t/Tensorflow/TensorFlow-2.10.0-fosscuda-2020b.eb new file: v/VASP/VASP-6.3.2-foss-2021b.eb new file: w/Wannier90/Wannier90-3.1.0-foss-2021b-serial.eb deleted: v/VASP/VASP-6.3.1-foss-2022a.eb |
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easybuild
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f2af562304 |
modified: f/FFTW/FFTW-3.3.10-NVHPC-21.9.eb
new file: h/HDF5/HDF5-1.12.1-NVHPC-21.9.eb new file: l/libxc/libxc-6.0.0-NVHPC-21.9.eb modified: q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb |
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Jakub Kropacek
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ea0840ea06 |
new file: g/gpu_burn/gpu_burn-1.1-NVHPC-22.2-CUDA-11.6.0.eb
new file: h/HyperQueue/HyperQueue-0.12.0.eb new file: n/nano/nano-6.4-GCCcore-11.3.0.eb deleted: n/nano/nano-6.4.eb |
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Jakub Kropacek
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1149e65a51 |
new file: c/CP2K/CP2K-2022.1-foss-2022a.eb
new file: c/ctffind/ctffind-4.1.14-foss-2021a.eb new file: f/FFTW.MPI/FFTW.MPI-3.3.8-NVHPC-22.2.eb modified: f/FFTW/FFTW-3.3.10-NVHPC-22.2-amd.eb new file: f/FFTW/FFTW-3.3.8-NVHPC-22.2-amd.eb new file: f/FFTW/FFTW-3.3.8-NVHPC-22.2.eb modified: h/HDF5/HDF5-1.12.1-NVHPC-22.2.eb new file: h/HDF5/HDF5-1.12.2-gompi-2022a.eb new file: h/HDF5/HDF5-1.12.2-iimpi-2022a.eb new file: l/libxsmm/libxsmm-1.17-GCC-11.3.0.eb new file: p/PLUMED/PLUMED-2.8.0-foss-2022a.eb new file: q/QD/QD-2.3.17-NVHPC-22.2.eb modified: q/QuantumESPRESSO/QuantumESPRESSO-7.1-foss-2022a.eb modified: q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a.eb new file: r/RELION/RELION-4.0-beta-foss-2021a.eb new file: s/ScaLAPACK/ScaLAPACK-3.0-NVHPC-22.2.eb new file: v/VASP/VASP-6.3.2-NVHPC-22.2-CUDA-11.6.0-adjust-makefile.patch modified: v/VASP/VASP-6.3.2-NVHPC-22.2-CUDA-11.6.0.eb new file: x/xxd/xxd-8.2.4220-GCCcore-11.3.0.eb deleted: f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2022a.eb deleted: h/HDF5/HDF5-1.13.1-gompi-2022a.eb deleted: h/HDF5/HDF5-1.13.1-iimpi-2022a.eb |
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Jakub Kropacek
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07ad700595 |
new file: c/Cordax/Cordax-20220830-foss-2020b.eb
new file: f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2022a.eb new file: f/FFTW/FFTW-3.3.10-NVHPC-22.2-amd.eb new file: h/HDF5/HDF5-1.12.1-NVHPC-22.2.eb modified: i/irodsfs/irodsfs-0.7.6.eb new file: v/VASP/VASP-6.3.2-NVHPC-22.2-CUDA-11.6.0.eb deleted: c/Cordax/Cordax-1.0-Python-2.7.18.eb |
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Jakub Kropacek
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0fb84c7b6b | deleted: h/h5py/h5py-3.6.0-intel-2021b.eb | ||
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Lukas Krupcik
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28d1706c8a |
new file: c/CheMPS2/CheMPS2-1.8.9-intel-2021a.eb
new file: g/GlobalArrays/GlobalArrays-5.8-intel-2021a.eb new file: h/HDF5/HDF5-1.13.1-gompi-2022a.eb new file: h/HDF5/HDF5-1.13.1-iimpi-2022a.eb new file: o/OpenMolcas/OpenMolcas-22.06-intel-2021a.eb new file: v/VASP/VASP-6.3.1-foss-2022a.eb modified: v/VASP/VASP-6.3.1-intel-2021b.eb new file: w/Wannier90/Wannier90-3.1.0-foss-2022a-serial.eb deleted: v/VASP/VASP-6.3.1-intel-2021b-cluster-independent.patch deleted: v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential.eb |
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Jakub Kropacek
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a9c4b8bc1e |
new file: h/HyperQueue/HyperQueue-0.11.0.eb
new file: v/VASP/VASP-6.3.1-intel-2021b-new.eb |
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Jakub Kropacek
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ec057663a4 |
new file: h/HDF5/HDF5-1.10.7-gompi-2021a-serial.eb
new file: h/HDF5/HDF5-1.10.7-iimpi-2021a-serial.eb new file: h/HDF5/HDF5-1.12.1-gompi-2021b-serial.eb new file: h/HDF5/HDF5-1.12.1-iimpi-2021b-serial.eb modified: h/HDF5/HDF5-1.12.1-iimpi-2021b.eb |
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Jakub Kropacek
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b877a9113c | modified: h/HDF5/HDF5-1.12.1-intel-2021b-parallel.eb | ||
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Lukas Krupcik
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8f3249aed2 |
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Lukas Krupcik
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8fd32284b1 |
new file: h/Hypre/Hypre-2.24.0-foss-2021a.eb
modified: p/PETSc/PETSc-3.17.2-foss-2021a.eb deleted: p/PETSc/PETSc-3.17.2-foss-2021a.eb.bak_20220610082314_3032778 |
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Jakub Kropacek
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1be5084bb8 |
modified: h/HyperQueue/HyperQueue-0.10.0.eb
new file: v/vaspkit/vaspkit-1.3.3-foss-2020b-fix-install.patch new file: v/vaspkit/vaspkit-1.3.3-foss-2020b.eb deleted: v/vaspkit/vaspkit-1.3.3-fix-setup-script.patch deleted: v/vaspkit/vaspkit-1.3.3.eb |
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Jakub Kropacek
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094a092a73 |
new file: h/HyperQueue/HyperQueue-0.10.0.eb
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Lukas Krupcik
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cbd3329146 |
modified: d/Dakota/Dakota-6.15.0-foss-2021b.eb
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Lukas Krupcik
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46ede8169c |
new file: a/apex/apex-20210420-fosscuda-2020b.eb
new file: g/git-lfs/git-lfs-3.1.2.eb new file: h/h5py/h5py-3.2.1-intel-2021a.eb new file: l/libcint/libcint-4.4.0-intel-2020b.eb new file: m/mpi4py/mpi4py-3.1.3-foss-2020b-Python-3.8.6.eb new file: m/mpi4py/mpi4py-3.1.3-foss-2021a-Python-3.9.5.eb new file: m/mpi4pyscf/mpi4pyscf-0.3.1-foss-2021a-Python-3.9.5.eb new file: m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz new file: o/obspy/obspy-1.3.0-fosscuda-2020b.eb new file: p/PROJ/PROJ-8.0.1-GCCcore-10.2.0.eb new file: p/PillowSIMD/Pillow-SIMD-7.1.2-GCCcore-10.2.0.eb new file: p/PySCF/PySCF-2.0.1-foss-2021a.eb new file: p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken new file: p/pyproj/pyproj-3.0.1-GCCcore-10.2.0.eb new file: q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old new file: q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken modified: q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb new file: q/QMCPACK/QMCPACK-3.13.0-intel-2021a-Python-3.9.5.eb new file: s/scikit-learn/scikit-learn-0.23.2-fosscuda-2020b.eb new file: t/TotalView/TotalView-2022.1.11.eb new file: t/torchaudio/torchaudio-0.10.0-fosscuda-2020b-Python-3.8.6-PyTorch-1.10.0.eb new file: t/torchvision/torchvision-0.11.3-fosscuda-2020b-PyTorch-1.10.0.eb new file: v/VASP/VASP-6.3.0-VTST-fix.patch new file: v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential-march=znver3-karolina.eb new file: v/VASP/VASP-6.3.1-intel-2020b-mkl=sequential-vtst-karolina.eb deleted: q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb deleted: v/VASP/VASP-6.3.0-intel-2020b-mkl=sequential-march=znver3-karolina.eb |
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Lukas Krupcik
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014a0e2a16 | Merge branch 'it4i-barbora' | ||
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Lukas Krupcik
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5812aff4e8 |
new file: archive/s/sqsgenerator/sqsgenerator-0.1-intel-compilers-2021.4.0-Python-3.9.6.eb
new file: b/Blender/Blender-3.1.0-GCC-10.3.0.eb new file: b/Boost/Boost-1.77.0-GCC-10.2.0-Python-3.8.6.eb new file: b/Boost/Boost-1.77.0-intel-compilers-2021.4.0-Python-3.9.6.eb modified: c/CUDAcore/CUDAcore-11.6.0.eb new file: d/DualSPHysics/DualSPHysics-5.0.175-GCC-11.2.0-CUDA-11.6.0.eb new file: d/DualSPHysics/DualSPHysics-5.0.175-GCC-11.2.0.eb new file: d/DualSPHysics/DualSPHysics-5.0.175.patch new file: h/hwloc/hwloc-1.11.7-GCC-10.2.0.eb modified: o/ORCA/ORCA-4.2.0-OpenMPI-3.1.4.eb modified: o/ORCA/ORCA-4.2.1-OpenMPI-3.1.4.eb new file: o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0.eb new file: q/QEMU/QEMU-6.2.0-VDE2.eb new file: s/sqsgenerator/sqsgenerator-0.0.5-GCC-10.2.0-Python-3.8.6.eb new file: s/sqsgenerator/sqsgenerator-0.1-GCC-10.2.0-Python-3.8.6.eb |
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Lukas Krupcik
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edfe945b36 |
new file: b/Blender/Blender-3.1.0-GCC-10.3.0.eb
new file: h/HDF5/HDF5-1.12.1-gompi-2021b.eb new file: h/HyperQueue/HyperQueue-0.9.0.eb new file: h/hipSYCL/hipSYCL-0.9.2-filter-cuda-stubs-rpath.patch new file: h/hipSYCL/hipSYCL-0.9.2-gcccuda-2020b.eb new file: t/TB2J/TB2J-7.1.1-Python-3.8.6-GCCcore-10.2.0.eb new file: v/VASP/VASP-6.3.0-intel-2020b-mkl=sequential-march=znver3-karolina.eb new file: v/vaspkit/vaspkit-1.3.3-fix-setup-script.patch new file: v/vaspkit/vaspkit-1.3.3.eb |
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easybuild
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