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159 Commits

Author SHA1 Message Date
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:   archive/OpenMPI/OpenMPI-2.0.2-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.0-GCC-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.0-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-6.3.0-2.27-uv.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-7.1.0-2.28.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-c7.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.5-GCC-6.3.0-2.27-noPBS.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.5-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.5-GCC-8.3.0-2.32.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.5-GCC-9.1.0-2.32.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.0-GCC-6.3.0-2.27-uv.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.0-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.0-GCC-7.2.0-2.29.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.1-GCC-6.3.0-2.27-nvidia-RHEL6.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.1-GCC-6.3.0-2.27-nvidia.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.3-GCC-8.2.0-2.31.1.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.3-GCCcore-8.3.0.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.3-PGI-19.4-GCC-8.2.0-2.31.1.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27-noPBS.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27-nvidia.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-PGI-19.7-GCC-8.2.0-2.31.1.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.5-GCCcore-8.3.0.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.5.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.6-GCCcore-8.3.0-noPBS.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.0-GCC-6.3.0-2.27-noPBS.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.0-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.2-GCC-8.3.0-2.32.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.3-GCC-9.3.0.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.4-GCC-8.3.0-2.32-CUDA.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.4-GCC-9.3.0-without-verbs.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.4-GCC-9.3.0.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.4-GCCcore-8.3.0.eb
	new file:   b/BLIS/BLIS-3.1-GCCcore-12.2.0-amd.eb
	new file:   f/FFTW.MPI/FFTW.MPI-3.3.10-NVHPC-23.5-CUDA-12.2.0.eb
	modified:   f/FFTW/FFTW-3.3.10-NVHPC-23.5-CUDA-12.2.0.eb
	new file:   h/HDF5/HDF5-1.14.0-NVHPC-23.5.eb
	new file:   l/libFLAME/libFLAME-5.2.0-GCCcore-12.2.0.eb
	new file:   n/NCCL/NCCL-2.12.12--CUDA-12.2.0.eb
	new file:   n/NCCL/NCCL-2.16.2-GCCcore-12.2.0-CUDA-12.0.0.eb
	modified:   n/NCCL/NCCL-2.16.2-GCCcore-12.2.0-CUDA-12.2.0.eb
	new file:   n/NCCL/NCCL-2.18.3-CUDA-12.2.0.eb
	new file:   n/NCCL/NCCL-2.18.3-GCCcore-12.2.0-CUDA-12.2.0.eb
	modified:   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
	modified:   o/OpenMPI/OpenMPI-3.1.6-GCCcore-8.3.0.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-Java-1.8.0_221.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-Java-13.0.1.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-test.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-GCCcore-9.3.0-CUDA-11.2.2-devel.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-GCCcore-9.3.0-CUDA-11.2.2.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.2.2-UCX-11.1.0-rc2.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.2.2-test.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.2.2.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.3.0.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-test.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-gcccuda-2020b.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-iccifort-2020.4.304.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-21.11-CUDA-11.4.1.eb
	modified:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.2-CUDA-11.2.2.eb
	modified:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.9-CUDA-11.4.1-v2.eb
	modified:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.9-CUDA-11.4.1.eb
	modified:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-22.2-CUDA-11.6.0.eb
	modified:   o/OpenMPI/OpenMPI-4.0.7-GCC-10.2.0-UCX-1.11.2-CUDA-11.4.1.eb
	modified:   o/OpenMPI/OpenMPI-4.0.7-GCC-9.3.0-UCX-1.9.0-CUDA-11.4.1.eb
	modified:   o/OpenMPI/OpenMPI-4.0.7-NVHPC-21.9-CUDA-11.4.1.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-AOCC-3.1.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-AOCL-3.0.1-AOCC-3.1.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0-Java-1.8.0_221.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0-test.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-11.2.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0-Java-1.8.0_221.eb
	modified:   o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0.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
	modified:   o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0-CUDA-11.7.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.4-GCC-12.2.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.5-GCC-12.3.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0-dgx.eb
	modified:   o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0-test.eb
	modified:   o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0.eb
	new file:   q/QD/QD-2.3.17-NVHPC-23.5.eb
	new file:   s/ScaLAPACK/ScaLAPACK-3.0-NVHPC-23.5-CUDA-12.2.0.eb
	modified:   u/UCC-CUDA/UCC-CUDA-1.1.0-GCCcore-12.2.0-CUDA-12.2.0.eb
	new file:   v/VASP/VASP-6.4.2-NVHPC-23.5-CUDA-12.2.0-adjust-makefile.patch
	new file:   v/VASP/VASP-6.4.2-NVHPC-23.5-CUDA-12.2.0.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.1-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.1-GNU-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-GCC-5.3.0-2.26.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-GCC-6.1.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-PGI-16.3-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-PGI-16.4-GCC-5.3.0-2.26.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.3-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.3-GCC-6.1.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.4-PGI-16.7-GCC-5.4.0-2.26.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27-uv.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-7.1.0-2.28.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-PGI-18.5-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-1.6.5-GCC-4.8.3.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-GCC-4.4.7-system.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-GNU-4.4.7-system.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-GNU-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-GNU-5.1.0-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-iccifort-2015.3.187-GNU-5.1.0-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.8-GNU-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.8-GNU-5.1.0-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.8-iccifort-2015.3.187-GNU-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.0-GCC-5.2.0.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1-GCC-6.2.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1-gcccuda-2016.10.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.2-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.0-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.0-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-6.3.0-2.27-uv.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-7.1.0-2.28.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-c7.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.5-GCC-6.3.0-2.27-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.5-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.5-GCC-8.3.0-2.32.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.5-GCC-9.1.0-2.32.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.0-GCC-6.3.0-2.27-uv.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.0-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.0-GCC-7.2.0-2.29.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.1-GCC-6.3.0-2.27-nvidia-RHEL6.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.1-GCC-6.3.0-2.27-nvidia.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.3-GCC-8.2.0-2.31.1.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.3-GCCcore-8.3.0.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.3-PGI-19.4-GCC-8.2.0-2.31.1.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27-nvidia.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-PGI-19.7-GCC-8.2.0-2.31.1.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.5-GCCcore-8.3.0.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.5.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.6-GCCcore-8.3.0-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.0-GCC-6.3.0-2.27-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.0-GCC-6.3.0-2.27.eb
	deleted:    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
 2023-08-17 14:22:00 +02:00
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
Lukas Krupcik
8f3249aed2 modified: ARCHIVE/a/ALAMODE/ALAMODE-0.9.8-intel-2017a.eb 
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Lukas Krupcik
79f3238d06 new file: s/Salmon/Salmon-2.1.0-intel-2020b.eb 
modified:   v/vaspkit/vaspkit-1.3.3-foss-2020b.eb
 2022-05-24 12:07:13 +02:00
Jakub Kropacek
1be5084bb8 modified: h/HyperQueue/HyperQueue-0.10.0.eb 
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 2022-05-23 12:28:59 +02:00
Lukas Krupcik
1300df4a07 modified: a/ANSYS/ANSYS-21.2-intel-2020b.eb 
new file:   "a/ANSYS/\\"
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 2022-05-05 10:20:42 +02:00
Lukas Krupcik
732d939a3f Merge branch 'it4i-barbora' 2022-04-14 15:21:29 +02:00
Lukas Krupcik
626f262df7 modified: g/grace/grace-5.1.25-intel-2020b.eb 
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 2022-04-14 15:20:43 +02:00
Lukas Krupcik
46ede8169c new file: a/apex/apex-20210420-fosscuda-2020b.eb 
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 2022-04-14 15:20:32 +02:00
Lukas Krupcik
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
 2022-03-30 11:27:18 +02:00
Lukas Krupcik
d0fefdefde Merge branch 'it4i-barbora' 2022-03-07 10:59:47 +01:00
easybuild
9e65728e88 new file: a/Automake/Automake-1.16.4.eb 
new file:   b/BEEF/BEEF-0.1.1-intel-2020b.eb
	deleted:    b/Bison/Bison-3.0.4.eb
	new file:   b/BoltzTraP2/BoltzTraP2-20.7.1-intel-2020b-Python-3.8.6.eb
	new file:   c/CUDAcore/CUDAcore-11.6.0.eb
	new file:   f/Forge/Forge-21.1.3.eb
	deleted:    f/flex/flex-2.6.4.eb
	modified:   g/GROMACS/GROMACS-2020.4-fosscuda-2020b-PLUMED-2.7.0-patch.eb
	deleted:    m/M4/M4-1.4.17.eb
	deleted:    m/M4/M4-1.4.18.eb
	new file:   n/NVHPC/NVHPC-22.2.eb
	new file:   o/Octave/Octave-6.4.0-intel-2020b-without-X11.eb
	new file:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-22.2-CUDA-11.6.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0-v2.eb
	new file:   o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0.eb
	new file:   o/OpenSSL/OpenSSL-1.1.eb
	new file:   p/Python/Python-3.9.6-GCCcore-11.2.0-NetKet.eb
	modified:   p/protobuf/protobuf-2.5.0.eb
	new file:   s/Singularity/Singularity-3.8.6.eb
	new file:   u/UCX/UCX-1.11.2-GCC-10.2.0-CUDA-11.6.0.eb
	new file:   u/UCX/UCX-1.11.2-NVHPC-22.2-CUDA-11.6.0.eb
	new file:   v/VTK/VTK-9.1.0-intel-2020b-Python-3.8.6.eb
	deleted:    z/zlib/zlib-1.2.11.eb
 2022-03-04 13:15:08 +01:00
easybuild
536c92481f new file: a/aria2/aria2-1.35.0-GCCcore-10.3.0.eb 
new file:   b/BLIS/BLIS-0.8.1_fix_dgemm-fpe-signalling-on-broadwell.patch
	new file:   b/BLIS/BLIS-2.2-GCCcore-10.2.0.eb
	new file:   b/BLIS/BLIS-2.2-amd_fix-undefined-reference-blist-abort.patch
	new file:   b/BLIS/BLIS-3.0.1-GCCcore-10.2.0.eb
	new file:   b/Biopython/Biopython-1.72-foss-2020b-Python-2.7.18.eb
	new file:   c/Cordax/Cordax-1.0-Python-2.7.18.eb
	new file:   d/DFTB+/DFTB+-21.2-intel-2020b-Python-3.8.6.eb
	new file:   d/DFTB+/DFTB+-21.2-intel-2020b-TB.eb
	new file:   d/Dakota/Dakota-6.15.0-fix_lapack_detection.patch
	new file:   d/Dakota/Dakota-6.15.0-foss-2021b.eb
	new file:   d/Dakota/Dakota-6.15.0-intel-2021b.eb
	new file:   e/ELPA/ELPA-2020.11.001-fosscuda-2020b.eb
	new file:   f/FoldX/FoldX-5.0.eb
	new file:   f/Forge/Forge-21.1.3.eb
	new file:   g/GROMACS/GROMACS-2018.8-fosscuda-2020b-PLUMED-2.5.6-switch.eb
	new file:   g/GROMACS/GROMACS-2021.4-foss-2020b-PLUMED-2.7.3.eb
	new file:   h/HDF5/HDF5-1.12.1-NVHPC-21.11.eb
	new file:   h/HDF5/HDF5-1.12.1-foss-2021b-parallel.eb
	new file:   h/HDF5/HDF5-1.12.1-iimpi-2021b.eb
	new file:   h/HDF5/HDF5-1.12.1-intel-2021b-parallel.eb
	new file:   h/HyperQueue/HyperQueue-0.8.0.eb
	new file:   h/Hypre/Hypre-2.23.0-intel-2020b.eb
	new file:   h/h5py/h5py-3.6.0-intel-2021b.eb
	new file:   l/LAPACK/LAPACK-3.10.0-GCC-11.2.0.eb
	new file:   l/libFLAME/libFLAME-5.2.0-GCCcore-10.2.0.eb
	new file:   m/MaSuRCA/MaSuRCA-4.0.7-foss-2020a-Perl-5.30.2.eb
	new file:   m/Molpro/Molpro-mpp-2022.1.1.linux_x86_64_mpipr.eb
	new file:   m/Molpro/Molpro-mpp-2022.1.1.linux_x86_64_sockets.eb
	new file:   n/nompi/nompi-2022a.eb
	new file:   o/ORCA/ORCA-5.0.3-OpenMPI-4.1.1.eb
	modified:   o/Octopus/Octopus-11.3-intel-2020b-mpi.eb
	new file:   o/OpenCV/OpenCV-4.5.3-foss-2021a-CUDA-11.3.1-contrib.eb
	new file:   o/OpenCV/OpenCV-4.5.5-foss-2021a-CUDA-11.4.1-contrib.eb
	new file:   o/OpenMPI/OpenMPI-4.1.1-GCC-11.2.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0-Java-1.8.0_221.eb
	new file:   o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0.eb
	modified:   p/PETSc/PETSc-3.14.4-intel-2020b.eb
	modified:   p/PLUMED/PLUMED-2.5.6-fosscuda-2020b-patch.eb
	new file:   p/PLUMED/PLUMED-2.5.6-fosscuda-2020b-switch.eb
	new file:   p/PLUMED/PLUMED-2.7.3-foss-2020b.eb
	modified:   p/phonopy/phonopy-2.12.0-conda.eb
	modified:   q/QMCPACK/QMCPACK-3.11.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QMCPACK/QMCPACK-3.12.0-intel-2021b-Python-3.9.6-lowopt.eb
	new file:   q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2021a.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.0-NVHPC-21.9.eb
	new file:   r/rocm-cuda2hip/rocm-cuda2hip-4.3.1-gcccuda-2020b.eb
	new file:   s/ScaLAPACK/ScaLAPACK-2.2-NVHPC-21.11.eb
	new file:   t/Tango/Tango.eb
	new file:   t/Tensorflow/TensorFlow-2.5.0-fosscuda-2020b.eb
	new file:   v/VASP/VASP-5.4.1-24Jun15-intel-2020b.eb
	new file:   w/Waltz/Waltz.eb
	new file:   y/Yambo/Yambo-5.0.4-intel-2020a.eb
 2022-03-04 13:14:37 +01:00
Lukas Krupcik
a49b71afca new file: a/AOCC/AOCC-3.2.0-GCCcore-11.2.0.eb 
new file:   c/CP2K/CP2K-8.2-foss-2020b.eb
	new file:   c/CP2K/CP2K-8.2-intel-2020b.eb
	modified:   d/DFTB+/DFTB+-21.1-intel-2020b-Python-3.8.6-karolina.eb
	new file:   g/GROMACS/GROMACS-2021.4-fosscuda-2020b-PLUMED-2.7.3.eb
	modified:   g/GROMACS/GROMACS-2021.4-intel-2020b-PLUMED-2.7.2.eb
	new file:   g/GROMACS/GROMACS-2021.4-intel-2020b-PLUMED-2.7.3.eb
	new file:   i/intel-compilers/intel-compilers-2021.4.0.eb
	new file:   l/Libint/Libint-2.6.0-GCC-10.2.0-lmax-6-cp2k.eb
	new file:   l/libxc/libxc-5.1.3-GCC-10.2.0.eb
	modified:   n/NVHPC/NVHPC-21.11.eb
	new file:   o/Octopus/Octopus-11.3-intel-2020b-mpi.eb
	new file:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.11-CUDA-11.4.1-v2.eb
	new file:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.11-CUDA-11.4.1.eb
	new file:   p/PETSc/PETSc-3.16.2-intel-2020b.eb
	new file:   p/PLUMED/PLUMED-2.7.3-fosscuda-2020b.eb
	new file:   p/phonopy/phonopy-2.12.0-conda.eb
	new file:   u/UCX/UCX-1.11.2-GCCcore-11.2.0.eb
	new file:   u/UCX/UCX-1.11.2-NVHPC-21.11-CUDA-11.4.1.eb
	new file:   v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-karolina.eb
 2022-01-05 09:50:03 +01:00