171 Commits

Author	SHA1	Message	Date
Lukas Krupcik	64aa7c8083	new file: a/Automake/Automake-1.17-GCCcore-14.2.0.eb ... deleted: c/CASTEP/CASTEP-25.12-foss-2023b.eb new file: c/CASTEP/CASTEP-25.12-intel-2024a.eb new file: n/NCCL/NCCL-2.21.5-GCCcore-14.2.0-CUDA-12.8.0.eb modified: n/NVHPC/NVHPC-24.9-CUDA-12.6.0.eb new file: n/NVHPC/NVHPC-25.3-CUDA-12.8.0.eb new file: o/OpenMPI/OpenMPI-5.0.7-25.3-CUDA-12.8.0.eb new file: o/OpenMPI/OpenMPI-5.0.7-GCC-14.2.0.eb new file: u/UCC-CUDA/UCC-CUDA-1.3.0-GCCcore-14.2.0-CUDA-12.8.0.eb deleted: u/UCC/UCC-1.3.0-GCCcore-14.2.0.eb new file: v/VASP/VASP-6.5.1-NVHPC-24.3-CUDA-12.3.0-adjust-makefile.patch new file: v/VASP/VASP-6.5.1-NVHPC-24.3-CUDA-12.3.0.eb new file: v/VASP/VASP-6.5.1-intel-2024a.eb new file: v/VASP/VASP-6.5.1-intel-hdf5.patch	2025-04-11 09:10:46 +02:00
Lukas Krupcik	fb92406e32	new file: v/VASP/VASP-6.3.1-intel-2022b-Cc4s.eb ... new file: v/VASP/VASP-6.3.1-intel-hdf5.patch	2025-04-02 12:25:23 +02:00
Lukas Krupcik	e4f87cb7fb	new file: v/VASP/VASP-6.3.1-intel-2021b-Cc4s.eb	2025-04-01 12:42:20 +02:00
Lukas Krupcik	4a9212dd36	deleted: v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb	2025-03-28 10:07:03 +01:00
Pavel Holba	431f90adbe	modified: v/VASP/VASP-6.4.2-intel-2022b.eb ... modified: v/VASP/VASP-6.4.2-intel-2023b-DFT-D4.eb	2025-03-28 09:57:45 +01:00
Lukas Krupcik	995e39ffad	new file: h/HyperQueue/HyperQueue-0.22.0.eb ... modified: v/VASP/VASP-6.4.2-intel-2022b-DFT-D4.eb modified: v/VASP/VASP-6.4.2-intel-2022b-libxc-6.1.0.eb modified: v/VASP/VASP-6.4.2-intel-2022b-libxc-7.0.0.eb new file: v/VASP/VASP-6.4.2-intel-hdf5.patch modified: v/VASP/VASP-6.4.3-intel-2022b-libxc-6.1.0.eb new file: v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb modified: v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0.eb modified: v/VASP/VASP-6.4.3-intel-2022b.eb modified: v/VASP/VASP-6.4.3-intel-2023b.eb new file: v/VASP/VASP-6.4.3-intel-hdf5.patch deleted: z/zlib/zlib-1.2.12.eb	2025-03-28 09:23:01 +01:00
Lukas Krupcik	f2dcff362b	new file: c/cryptography/cryptography-42.0.8-GCCcore-13.3.0.eb ... new file: f/flit/flit-3.9.0-GCCcore-13.3.0.eb new file: f/fonttools/fonttools-4.53.1-GCCcore-13.3.0.eb new file: h/HarfBuzz/HarfBuzz-9.0.0-GCCcore-13.3.0.eb new file: n/NSS/NSS-3.104-GCCcore-13.3.0.eb new file: p/Python-bundle-PyPI/Python-bundle-PyPI-2024.06-GCCcore-13.3.0.eb new file: p/poetry/poetry-1.8.3-GCCcore-13.3.0.eb new file: q/Qt6/Qt6-6.7.2-GCCcore-13.3.0.eb new file: s/scikit-build/scikit-build-0.17.6-GCCcore-13.3.0.eb new file: v/virtualenv/virtualenv-20.26.2-GCCcore-13.3.0.eb	2025-03-25 07:54:35 +01:00
Pavel Holba	ff55967438	modified: c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb ... new file: l/libxc/libxc-6.1.0-intel-compilers-2022.2.1-nofhc.eb new file: l/libxc/libxc-7.0.0-intel-compilers-2022.2.1-nofhc.eb new file: s/s3cmd/s3cmd-2.4.0-GCCcore-14.2.0-Python-3.11.1.eb new file: v/VASP/VASP-6.4.2-intel-2022b-libxc-6.1.0.eb new file: v/VASP/VASP-6.4.2-intel-2022b-libxc-7.0.0.eb new file: v/VASP/VASP-6.4.3-intel-2022b-libxc-6.1.0.eb new file: v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0.eb	2025-02-10 08:22:39 +01:00
Lukas Krupcik	4f97cc946e	Merge branch 'it4i-barbora'	2025-01-06 09:40:58 +01:00
Lukas Krupcik	30cf7358c0	modified: b/binutils/binutils-2.30-GCCcore-7.3.0.eb ... new file: c/CMake/CMake-3.30.5.eb new file: v/Visit/Visit-3.4.2-foss-2023a.eb new file: v/Visit/Visit-3.4.2.eb	2025-01-06 09:40:28 +01:00
Lukas Krupcik	28e529299d	merge master	2025-01-06 09:40:21 +01:00
Pavel Holba	fe16da074f	new file: v/VisIt/VisIt-2.13.3-GCCcore-12.3.0.eb ... new file: v/Visit/Visit-2.13.3-foss-2023a.eb	2024-12-12 15:44:58 +01:00
Lukas Krupcik	de515b5ae5	new file: v/VASP/VASP-6.4.3-intel-2022b.eb ... modified: v/VASP/VASP-6.4.3-intel-2023b.eb	2024-09-12 08:18:00 +02:00
Lukas Krupcik	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	2024-09-06 14:46:47 +02:00
Lukas Krupcik	5bd3d973a4	deleted: o/OpenMPI/OpenMPI-4.1.5-GCC-12.3.0.eb ... new file: u/UCC/UCC-1.2.0-GCCcore-12.3.0.eb new file: v/VASP/VASP-6.4.3-NVHPC-24.3-CUDA-12.3.0-adjust-makefile.patch modified: v/VASP/VASP-6.4.3-NVHPC-24.3-CUDA-12.3.0.eb	2024-09-05 07:57:26 +02:00
Lukas Krupcik	28aa199d39	new file: v/Vampir/Vampir-10.3.0.eb	2024-08-27 13:24:01 +02:00
Lukas Krupcik	fb33b50321	modified: o/OpenMX/OpenMX-3.9-foss-2022b.eb ... new file: v/VASP/VASP-6.4.3-NVHPC-23.5-CUDA-12.2.0.eb new file: v/VASP/VASP-6.4.3-NVHPC-24.3-CUDA-12.3.0.eb	2024-08-27 11:00:39 +02:00
Lukas Krupcik	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	2024-05-09 11:03:21 +02:00
Lukas Krupcik	483b7bc7a8	new file: p/PCRE/PCRE-8.45.eb ... modified: q/Qt/Qt-4.8.7.eb modified: v/VisIt/VisIt-2.13.3.eb	2023-10-30 11:36:01 +01:00
Lukas Krupcik	a2bb6c8760	new file: d/DFT-D4/DFT-D4-3.2.0-remove_module_id.patch ... new file: d/DFT-D4/DFT-D4-3.6.0-intel-2022b-Python-3.10.8.eb modified: d/DFTB+/DFTB+-21.1-intel-2020b-Python-3.8.6-karolina.eb modified: d/DFTB+/DFTB+-21.2-intel-2020b-TB.eb new file: f/Forge/Forge-23.0.2.eb new file: l/LAPACK/LAPACK-3.10.0-GCC-12.2.0.eb modified: p/PyTorch/PyTorch-1.11.0-fosscuda-2020b.eb modified: v/VASP/VASP-6.2.0-intel-2020b.eb new file: v/VASP/VASP-6.4.2-intel-2022b-DFT-D4.eb new file: w/Wannier90/Wannier90-3.1.0-intel-2022b-serial.eb	2023-09-27 09:23:34 +02:00
Lukas Krupcik	54e9fa82d5	modified: g/GROMACS/GROMACS-2022-fosscuda-2020b.eb ... new file: g/GROMACS/GROMACS-iostream.patch new file: h/hwloc/hwloc-2.8.0-GCCcore-12.2.0.eb new file: h/hwloc/hwloc-2.8.0-GCCcore-12.3.0.eb modified: i/iimpi/iimpi-2020a.eb new file: i/iimpi/iimpi-2020b.eb new file: i/iimpi/iimpi-2021a.eb new file: i/iimpi/iimpi-2021b.eb new file: i/iimpi/iimpi-2022a.eb new file: i/iimpi/iimpi-2022b.eb new file: i/iimpi/iimpi-2023a.eb new file: i/impi/impi-2021.4.0-intel-compilers-2022.1.0.eb new file: i/impi/impi-2021.4.0-intel-compilers-2022.2.1.eb new file: i/impi/impi-2021.4.0-intel-compilers-2023.1.0.eb new file: i/impi/impi-2021.9.0-intel-compilers-2023.1.0-test.eb new file: i/impi/impi-2021.9.0-intel-compilers-2023.1.0.eb new file: i/intel/intel-2020.00.eb new file: i/intel/intel-2020.06-impi-18.5.eb new file: i/intel/intel-2020.12.eb modified: i/intel/intel-2020a.eb new file: i/intel/intel-2021a.eb new file: i/intel/intel-2021b.eb new file: i/intel/intel-2022a.eb new file: i/intel/intel-2022b.eb new file: i/intel/intel-2023a.eb new file: l/LAre3d/LAre3d-20230726-intel-2022b-v2.eb new file: l/libxml2/libxml2-2.10.3-GCCcore-12.2.0.eb new file: l/libxml2/libxml2-2.10.3-GCCcore-12.3.0.eb new file: n/networkx/networkx-2.5-fosscuda-2020b.eb modified: o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb new file: o/OpenMPI/OpenMPI-4.1.5-GCC-12.2.0.eb modified: o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0.eb new file: p/PMIx/PMIx-4.2.6-GCC-12.2.0.eb new file: p/PyTorch/PyTorch-1.10.0-fosscuda-2020b.eb new file: p/PyTorch/PyTorch-1.13.1-foss-2022b.eb new file: p/phonopy/phonopy-2.16.3-foss-2022a.eb new file: p/phonopy/phonopy-2.20.0-conda.eb new file: p/phonopy/phonopy-2.20.0-foss-2022a.eb new file: u/UCX/UCX-1.14.1-GCCcore-11.3.0.eb new file: u/UCX/UCX-1.14.1-GCCcore-12.3.0-test.eb new file: v/VisIt/VisIt-2.13.3.eb new file: x/XZ/XZ-5.2.7-GCCcore-12.2.0.eb new file: x/XZ/XZ-5.2.7-GCCcore-12.3.0.eb new file: z/zlib/zlib-1.2.12-GCCcore-12.2.0.eb new file: z/zlib/zlib-1.2.12-GCCcore-12.3.0.eb deleted: o/OpenMPI/OpenMPI-4.1.5-GCC-12.3.0.eb	2023-09-25 09:14:47 +02:00
Lukas Krupcik	8ce22eb486	new file: archive/OpenMPI/OpenMPI-1.10.1-GCC-4.9.3-2.25.eb ... new file: archive/OpenMPI/OpenMPI-1.10.1-GNU-4.9.3-2.25.eb new file: archive/OpenMPI/OpenMPI-1.10.2-GCC-4.9.3-2.25.eb new file: archive/OpenMPI/OpenMPI-1.10.2-GCC-5.3.0-2.26.eb new file: archive/OpenMPI/OpenMPI-1.10.2-GCC-6.1.0-2.27.eb new file: archive/OpenMPI/OpenMPI-1.10.2-PGI-16.3-GCC-4.9.3-2.25.eb new file: archive/OpenMPI/OpenMPI-1.10.2-PGI-16.4-GCC-5.3.0-2.26.eb new file: archive/OpenMPI/OpenMPI-1.10.3-GCC-4.9.3-2.25.eb new file: archive/OpenMPI/OpenMPI-1.10.3-GCC-6.1.0-2.27.eb new file: archive/OpenMPI/OpenMPI-1.10.4-PGI-16.7-GCC-5.4.0-2.26.eb new file: archive/OpenMPI/OpenMPI-1.10.7-GCC-4.9.3-2.25.eb new file: archive/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27-noPBS.eb new file: archive/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27-uv.eb new file: archive/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27.eb new file: archive/OpenMPI/OpenMPI-1.10.7-GCC-7.1.0-2.28.eb new file: archive/OpenMPI/OpenMPI-1.10.7-PGI-18.5-GCC-6.3.0-2.27.eb new file: archive/OpenMPI/OpenMPI-1.6.5-GCC-4.8.3.eb new file: archive/OpenMPI/OpenMPI-1.8.6-GCC-4.4.7-system.eb new file: archive/OpenMPI/OpenMPI-1.8.6-GNU-4.4.7-system.eb new file: archive/OpenMPI/OpenMPI-1.8.6-GNU-4.9.3-2.25.eb new file: archive/OpenMPI/OpenMPI-1.8.6-GNU-5.1.0-2.25.eb new file: archive/OpenMPI/OpenMPI-1.8.6-iccifort-2015.3.187-GNU-5.1.0-2.25.eb new file: archive/OpenMPI/OpenMPI-1.8.8-GNU-4.9.3-2.25.eb new file: archive/OpenMPI/OpenMPI-1.8.8-GNU-5.1.0-2.25.eb new file: archive/OpenMPI/OpenMPI-1.8.8-iccifort-2015.3.187-GNU-4.9.3-2.25.eb new file: archive/OpenMPI/OpenMPI-2.0.0-GCC-5.2.0.eb new file: archive/OpenMPI/OpenMPI-2.0.1-GCC-6.2.0-2.27.eb new file: archive/OpenMPI/OpenMPI-2.0.1-gcccuda-2016.10.eb new file: archive/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb new file: archive/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27.eb new file: archive/OpenMPI/OpenMPI-2.0.1.eb new file: 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Lukas Krupcik	a48ddb6240	new file: l/LAre3d/LAre3d-20230726-intel-2022b.eb ... modified: l/libxml2/libxml2-2.9.9.eb modified: l/libxslt/libxslt-1.1.33.eb new file: n/NVSHMEM/NVSHMEM-2.5.0-gompi-2022a-CUDA-11.7.0.eb new file: n/NVSHMEM/NVSHMEM-2.7.0-gompi-2022a-CUDA-11.7.0.eb new file: v/VisIt/VisIt-3.3.3.eb	2023-08-08 09:24:37 +02:00
Lukas Krupcik	df0af48ed0	new file: a/ANSYS/ANSYS-22.2-intel-2022a-test.eb ... new file: a/awscli/awscli-1.27.75-GCCcore-12.2.0-Python-3.10.8.eb new file: i/iompi/iompi-2020b-test.eb modified: l/libnsl/libnsl-1.3.0-GCCcore-10.3.0.eb new file: l/libnsl/libnsl-2.0.0-GCCcore-11.3.0.eb new file: o/OSU-Micro-Benchmarks/OSU-Micro-Benchmarks-5.7.1-iompi-2020b.eb new file: o/OpenMPI/OpenMPI-4.0.5-iccifort-2020.4.304-test.eb new file: p/PyYAML/PyYAML-5.4.1.1-GCCcore-12.2.0.eb new file: r/rclone/rclone-1.61.1.eb new file: s/s3cmd/s3cmd-2.3.0-GCCcore-12.2.0-Python-3.10.8.eb new file: v/VirtualGL/VirtualGL-3.0-GCC-11.3.0.eb modified: x/XALT/XALT-2.10.45-eb.eb	2023-02-21 14:48:08 +01:00
Jakub Kropacek	271f5ea566	modified: q/QMCPACK/QMCPACK-3.16.0-foss-2022a-Python-3.10.4.eb ... new file: v/VirtualGL/VirtualGL-3.0-GCC-10.2.0.eb	2023-02-13 14:43:34 +01:00
Jakub Kropacek	f5901de193	modified: 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: v/VASP/VASP-6.3.2-intel-2021b-adjust-makefile.patch new file: v/VASP/VASP-6.3.2-intel-2021b.eb	2023-01-17 07:49:10 +01:00
Lukas Krupcik	db48d6fb5c	new file: t/Tensorflow/TensorFlow-test.eb ... new file: v/VASP/VASP-5.4.4-intel-2020a-VASPsol.eb	2022-12-01 08:47:39 +01:00
easybuild	25a0b55368	modified: v/Vim/Vim-9.0-GCCcore-11.3.0.eb	2022-11-26 20:42:35 +01:00
easybuild	d3cae31371	new file: v/Vim/Vim-9.0-GCCcore-11.3.0.eb	2022-11-25 22:30:55 +01:00
easybuild	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	2022-11-10 15:50:45 +01:00
Lukas Krupcik	1516682ddf	modified: b/BoltzTraP2/BoltzTraP2-20.7.1-intel-2020b-Python-3.8.6.eb ... new file: b/BoltzTraP2/BoltzTraP2-22.6.1-intel-2022a.eb modified: g/grace/grace-5.1.25-gompi-2022a.eb new file: n/netCDF/netCDF-4.9.0-iimpi-2022a.eb new file: p/pyFFTW/pyFFTW-0.13.0-intel-2022a.eb modified: q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-without-HDF5.eb new file: v/VTK/VTK-9.2.2-intel-2022a.eb	2022-10-27 10:50:56 +02:00
Jakub Kropacek	0d14c5ff12	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-BEEF.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 modified: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb modified: v/VASP/VASP-5.4.4-intel-2020a.eb modified: v/VASP/VASP-6.1.1-intel-2020a-mkl=sequential-BEEF.eb modified: v/VASP/VASP-6.1.1-intel-2020a-mkl=sequential.eb modified: v/VASP/VASP-6.2.0-intel-2020b-mkl=sequential-karolina.eb modified: v/VASP/VASP-6.2.0-intel-2020b-mkl=sequential.eb modified: v/VASP/VASP-6.2.0-intel-2020b.eb modified: v/VASP/VASP-6.2.1-intel-2020b-mkl=sequential-VASPsol-karolina.eb modified: v/VASP/VASP-6.2.1-intel-2020b-mkl=sequential-karolina.eb modified: v/VASP/VASP-6.2.1-intel-2020b-mkl=sequential.eb modified: v/VASP/VASP-6.3.0-intel-2020b-mkl=sequential-vtst-karolina.eb modified: v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential-march=znver3-karolina.eb modified: v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential.eb modified: v/VASP/VASP-6.3.1-foss-2022a.eb modified: v/VASP/VASP-6.3.1-intel-2021b.eb modified: v/VASP/VASP-6.3.2-NVHPC-22.2-CUDA-11.6.0.eb modified: v/VASP/VASP-6.3.2-intel-2021b-SCPC.eb	2022-09-05 18:45:50 +02:00
Jakub Kropacek	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	2022-09-05 18:21:49 +02:00
Jakub Kropacek	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	2022-09-01 09:29:45 +02:00
Jakub Kropacek	6aa8533a8a	new file: v/vaspkit/vaspkit-1.3.5-foss-2022a-WIP.eb ... deleted: v/vaspkit/vaspkit-1.3.5-foss-2022a.eb	2022-08-30 10:54:10 +02:00
Jakub Kropacek	f146dbdb02	new file: g/gh/gh-2.14.7.eb ... modified: i/IMOD/IMOD-4.11.1-fosscuda-2020b.eb new file: v/vaspkit/vaspkit-1.3.5-foss-2022a.eb	2022-08-30 10:47:12 +02:00
Jakub Kropacek	8dcb965f9c	new file: d/DL_MG/DL_MG-2.1.4-intel-2021b.eb ... new file: d/DL_MG/DL_MG-3.0.0-intel-2021b-disable-openmp.patch new file: d/DL_MG/DL_MG-3.0.0-intel-2021b.eb new file: i/iimpi/iimpi-2021b-VASP-SCPC.eb new file: p/PSPFFT/PSPFFT-1.0-intel-2021b.eb new file: p/PSPFFT/pspfft-1.0-intel-2021b-makefile-setup.patch new file: p/phonopy/phonopy-2.15.1-conda.eb new file: v/VASP/VASP-6.3.2-intel-2021b-SCPC.eb deleted: p/phonopy/phonopy-2.15.0-conda.eb	2022-08-15 14:53:44 +02:00
Lukas Krupcik	8657f5f3f2	new file: a/Advisor/Advisor-2021.4.0.eb ... modified: m/Molden/Molden-6.3-intel-2020a.eb new file: o/ORCA/ORCA-5.0.3-OpenMPI-4.1.1-test.eb modified: o/ORCA/ORCA-5.0.3-OpenMPI-4.1.1.eb new file: o/ORCA/ORCA-5.0.3-gompi-2021b.eb new file: o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0-test.eb modified: v/VASP/VASP-5.4.4-intel-2020a.eb modified: v/VASP/VASP-6.3.1-intel-2021b.eb	2022-08-01 10:38:22 +02:00
Lukas Krupcik	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	2022-07-08 13:49:39 +02:00
Jakub Kropacek	4981732c93	Merge branch 'it4i-barbora'	2022-07-04 16:09:49 +02:00
Jakub Kropacek	3d8709240c	modified: v/VTune/VTune-2020_update3-GCC.eb ... modified: v/VTune/VTune-2022.2.0-intel-2021b.eb	2022-07-04 16:09:29 +02:00
Jakub Kropacek	23c2fe6f16	new file: v/VASP/VASP-5.4.4-intel-2020a.eb ... modified: y/Yambo/Yambo-5.1.0-intel-2021a.eb	2022-07-04 16:08:58 +02:00
Lukas Krupcik	f6877b7b4e	new file: s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022a.eb ... new file: v/VTune/VTune-2022.2.0-intel-2021b.eb	2022-07-04 08:49:03 +02:00
Jakub Kropacek	15473f1373	new file: f/Forge/Forge-22.0.2.eb ... new file: o/OpenMolcas/OpenMolcas-22.06-intel-2020b-Python-3.8.6.eb new file: v/VASP/VASP-6.3.1-intel-2021b.eb deleted: v/VASP/VASP-6.3.1-intel-2021b-new.eb	2022-06-29 15:27:44 +02:00
Jakub Kropacek	a9c4b8bc1e	new file: h/HyperQueue/HyperQueue-0.11.0.eb ... new file: v/VASP/VASP-6.3.1-intel-2021b-new.eb	2022-06-27 17:28:18 +02:00
Jakub Kropacek	e4fe702e16	new file: b/BAGEL/BAGEL-1.2.2-intel-2021b.eb ... new file: d/DFTB+/DFTB+-22.1-intel-2020b.eb new file: t/tblite/tblite-0.2.1-intel-2020b.eb modified: v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential.eb new file: v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential.eb deleted: v/VASP/VASP-6.3.1-intel-2021b-test.eb	2022-06-22 09:42:56 +02:00
Jakub Kropacek	3a60ae06a8	modified: v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential.eb ... new file: v/VASP/VASP-6.3.1-intel-2021b-cluster-independent.patch new file: v/VASP/VASP-6.3.1-intel-2021b-test.eb deleted: v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential-HDF5-Wannier.eb	2022-06-17 18:40:26 +02:00
Jakub Kropacek	b8b80c70ed	new file: v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential-HDF5-Wannier.eb ... new file: w/Wannier90/Wannier90-3.1.0-intel-2021b-serial.eb	2022-06-17 11:27:32 +02:00
Jakub Kropacek	0ca068a449	new file: m/Molpro/Molpro-mpp-2022.2.2.linux_x86_64_mpipr.eb ... new file: m/Molpro/Molpro-mpp-2022.2.2.linux_x86_64_sockets.eb modified: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb deleted: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb.bak_20220616084146_64543	2022-06-16 09:13:06 +02:00
Lukas Krupcik	ecd65d2a4b	new file: v/VASP/VASP-5.4.4-VTST-fix.patch ... new file: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb new file: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb.bak_20220616084146_64543 new file: v/VASP/VASP-6.3.0-intel-2020b-mkl=sequential-vtst-karolina.eb deleted: v/VASP/VASP-6.3.1-intel-2020b-mkl=sequential-vtst-karolina.eb	2022-06-16 08:44:31 +02:00