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113 Commits

Author SHA1 Message Date
Lukas Krupcik
663987ef3b modified: o/OVITO/OVITO-3.9.2-gompi-2022b-basic.eb 
modified:   o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.5-GCC-12.3.0.eb
	new file:   q/Qt6/Qt6-6.6.0-GCCcore-12.2.0.eb
 2023-11-03 11:15:13 +01:00
Lukas Krupcik
1bf443f20d deleted: "q/Qt6/\\" 2023-10-31 12:45:25 +01:00
Lukas Krupcik
98825a4611 Merge branch 'it4i-barbora' 2023-10-30 11:36:32 +01:00
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
cef77e125f new file: a/ANSYS/ANSYS-2022R1-intel-2020b-alamerini.eb 
new file:   a/AOCC/AOCC-4.1.0-GCCcore-12.2.0.eb
	new file:   a/AOCL/AOCL-4.1.0-CCcore-12.2.0.eb
	new file:   a/Amber/Amber-22.4-foss-2022a-AmberTools-23-CUDA-11.7.0.eb
	new file:   c/Clang/Clang-17.0.2-GCCcore-12.2.0-CUDA-12.2.0.eb
	new file:   c/Clang/Clang-17.0.2-GCCcore-12.2.0.eb
	new file:   g/GROMACS/GROMACS-2023-foss-2022a-CUDA-12.0.0-PLUMED-2.9.0.eb
	new file:   g/GROMACS/GROMACS-2023.3-foss-2022a-CUDA-12.0.0-v2.eb
	new file:   l/LAMMPS/LAMMPS-15Jun2023-foss-2022a-kokkos-sm80.eb
	new file:   l/LAMMPS/LAMMPS-2Aug2023-foss-2022a-kokkos-sm80.eb
	new file:   l/LAMMPS/LAMMPS-2Aug2023-foss-2022a-kokkos.eb
	new file:   l/LAMMPS/LAMMPS-2Aug2023_update1-foss-2021b-CUDA-12.2.0-kokkos.eb
	new file:   l/LAMMPS/LAMMPS-2Aug2023_update1-foss-2021b-kokkos.eb
	new file:   m/MATLAB/MATLAB-2023b.eb
	new file:   n/NCCL/NCCL-2.18.3-GCCcore-11.3.0-CUDA-12.2.0.eb
	new file:   o/OVITO/OVITO-3.9.2-gompi-2022a-basic.eb
	new file:   o/OVITO/OVITO-3.9.2-gompi-2022b-basic.eb
	new file:   o/OpenMolcas/OpenMolcas-23.06-intel-2022a-noGA.eb
	modified:   o/OpenMolcas/OpenMolcas-23.06-intel-2022a.eb
	new file:   p/PLUMED/PLUMED-2.9.0-foss-2022a.eb
	new file:   q/Qt6/Qt6-6.5.3-GCCcore-12.2.0.eb
	new file:   "q/Qt6/\\"
	new file:   u/UCX-CUDA/UCX-CUDA-1.14.1-GCCcore-11.3.0-CUDA-12.2.0.eb
 2023-10-30 11:35:42 +01:00
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
148ec5b159 modified: q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-thermo_pw-GPU.eb 2023-04-24 14:10:55 +02:00
Lukas Krupcik
73860e9992 new file: l/libxc/libxc-5.1.2-intel-2022a.eb 
modified:   o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb.1
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-thermo_pw-GPU.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-thermo_pw.eb
	modified:   w/WIEN2k/WIEN2k-23.2-intel-2022a.eb
 2023-04-24 13:48:23 +02:00
easybuild
4fbadeb08a new file: a/ANSYS/ANSYS-2023R1-intel-2022a.eb 
new file:   b/Boost/Boost-1.79.0-intel-compilers-2022.1.0.eb
	new file:   c/CheMPS2/CheMPS2-1.8.12-intel-2022a.eb
	new file:   g/gau2grid/gau2grid-2.0.7-intel-2022a-lmax-5-psi4.eb
	new file:   m/mctc-lib/mctc-lib-0.3.1-GCC-11.2.0.eb
	new file:   m/msgpack/msgpack-1.0.5-GCCcore-11.3.0.eb
	new file:   p/Pint/Pint-0.20.1-GCCcore-11.3.0.eb
	new file:   p/pydantic/pydantic-1.10.6-GCCcore-11.3.0.eb
	new file:   q/qcengine/qcengine-0.24.1-foss-2021b.eb
	new file:   q/qcengine/qcengine-0.24.1-psi4.patch
	new file:   q/qcengine/qcengine-0.26.0-foss-2021b.eb
	new file:   q/qcengine/qcengine-0.26.0-psi4.patch
	new file:   s/simple-dftd3/simple-dftd3-0.7.0-foss-2021b.eb
	deleted:    c/CheMPS2/CheMPS2-1.8.9-intel-2021a.eb
 2023-03-13 17:11:24 +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
easybuild
bff9617a1c modified: q/QMCPACK/QMCPACK-3.16.0-foss-2022a-Python-3.10.4.eb 2023-02-07 18:22:11 +01:00
Jakub Kropacek
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
 2023-02-07 13:40:28 +01:00
Jakub Kropacek
3685abaed5 new file: o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb 
modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
 2023-01-31 08:29:01 +01:00
easybuild
503f5a736f new file: i/impi/impi-2021.7.1-intel-compilers-2022.2.1.eb 
new file:   i/intel-compilers/intel-compilers-2022.2.1.eb
	modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
 2023-01-26 10:39:54 +01:00
easybuild
3178cb7962 new file: f/flatbuffers/flatbuffers-2.0.7-GCCcore-11.3.0.eb 
new file:   o/OpenMPI/OpenMPI-4.1.4-GCC-12.2.0.eb
	modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
	new file:   t/Tensorflow/TensorFlow-2.10.1-foss-2022a-CUDA-11.7.0.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_remove-duplicate-gpu-tests.patch
	new file:   t/Tensorflow/TensorFlow-2.9.1_remove-libclang-and-io-gcs-deps.patch
	new file:   u/UCX/UCX-1.13.1-GCCcore-12.2.0.eb
	new file:   x/XALT/XALT-2.10.45-GPU-eb.eb
	modified:   x/XALT/XALT-2.10.45-eb.eb
 2023-01-25 17:48:29 +01:00
Lukas Krupcik
4946a197f0 modified: e/Eigen/Eigen-3.3.7.eb 
new file:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-test.eb
	new file:   q/Qiskit/Qiskit-0.39.4-foss-2021a.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0.eb
 2023-01-02 08:10:16 +01:00
Lukas Krupcik
600adaf0fa Merge branch 'it4i-barbora' 2022-12-12 08:47:03 +01:00
Lukas Krupcik
6b3471d969 merge master 2022-12-12 08:46:01 +01:00
Lukas Krupcik
da23472aae new file: g/GROMACS/GROMACS-2020.3-foss-2020b-PLUMED-2.7.3.eb 
new file:   p/phonopy/phonopy-2.17.0-conda.eb
	modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-ntypx=32.eb
 2022-12-12 08:45:45 +01:00
easybuild
afb734df1a new file: q/QuantumESPRESSO/QuantumESPRESSO-7.1-custom-ntypx.patch 
new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-ntypx=32.eb
 2022-12-01 14:37:41 +01:00
easybuild
603ffe2bc2 deleted: q/QuantumESPRESSO/input_tmp.in 2022-11-14 13:09:24 +01:00
Lukas Krupcik
8235d74527 merge master 2022-10-27 10:51:48 +02:00
Lukas Krupcik
83c5430f4e modified: g/grace/grace-5.1.25-gompi-2022a.eb 
modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
	new file:   q/QuantumESPRESSO/input_tmp.in
 2022-10-27 10:51:06 +02:00
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
fe65ef7ad3 Merge branch 'it4i-barbora' 2022-10-23 00:40:22 +02:00
easybuild
f00977f8fc new file: m/motif/motif-2.3.8-GCCcore-11.3.0.eb 
modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
	modified:   u/UCX/UCX-1.11.2-NVHPC-21.9-CUDA-11.4.1.eb
 2022-10-23 00:37:48 +02:00
easybuild
88a42ae0cd new file: g/grace/grace-5.1.25-gompi-2022a.eb 
modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
 2022-10-23 00:37:38 +02:00
easybuild
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
 2022-10-19 17:28:39 +02:00
Lukas Krupcik
76fb57ddde new file: f/FFTW/FFTW-3.3.8-NVHPC-21.9.eb 
new file:   o/OpenMPI/OpenMPI-4.0.7-NVHPC-21.9-CUDA-11.4.1.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
 2022-10-18 09:29:38 +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
3ffe30b13e new file: q/QuantumESPRESSO/QuantumESPRESSO-7.1-foss-2022a.eb 
new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a.eb
 2022-07-11 10:45:10 +02:00
Jakub Kropacek
a4dfbf4d66 modified: q/QtiPlot/qtiplot-1.0.0.eb 2022-06-22 09:43:07 +02:00
Jakub Kropacek
cbff5782f9 new file: q/Qt5/Qt5-5.15.2-GCCcore-11.2.0.eb 2022-06-03 10:26:23 +02:00
Lukas Krupcik
5d8c6e1517 new file: k/Kerberos/Kerberos-1.20.eb 
modified:   q/Qt5/Qt5-5.15.2-GCCcore-10.3.0.eb
 2022-06-02 13:22:50 +02:00
Jakub Kropacek
71db71fa0c modified: o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb 
new file:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb.orig_20220602101917_508724
	modified:   q/Qt5/Qt5-5.15.2-GCCcore-10.3.0.eb
 2022-06-02 10:49:56 +02:00
easybuild
9b8f1b6eae new file: p/PyQt5/PyQt5-5.15.4-GCCcore-11.2.0.eb 
new file:   q/Qt5/Qt5-5.15.2-GCCcore-10.3.0.eb
 2022-06-01 13:09:30 +02:00
Jakub Kropacek
95aae5ad97 Merge branch 'it4i-barbora' 2022-05-13 14:28:01 +02:00
Jakub Kropacek
af3e8a8add modified: q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb 
modified:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb
 2022-05-13 14:27:46 +02:00
Jakub Kropacek
34e002296b new file: o/OpenSSL/OpenSSL-1.1-test.eb 
new file:   q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5-complex.eb
	new file:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-complex.eb
 2022-05-13 14:27:36 +02:00
Jakub Kropacek
dd1c2bd97b modified: q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb 
modified:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb
	deleted:    q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-test.eb
 2022-05-12 13:17:01 +02:00
Jakub Kropacek
b19d614747 modified: q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-test.eb 
new file:   x/XALT/XALT-2.10.37.eb
	deleted:    x/XALT/XALT-2.10.36.eb
 2022-05-12 12:50:35 +02:00
Lukas Krupcik
cbd3329146 modified: d/Dakota/Dakota-6.15.0-foss-2021b.eb 
modified:   d/Dakota/Dakota-6.15.0-intel-2021b.eb
	new file:   e/Extrae/Extrae-3.8.3-gompi-2021a.eb
	new file:   f/FoX/FoX-4.1.2-intel-2020b.eb
	new file:   g/GROMACS/GROMACS-2022-fosscuda-2020b.eb
	new file:   h/HDF5/HDF5-1.10.7-gompi-2021a.eb
	new file:   l/libxc/libxc-5.1.3-intel-2020b.eb
	new file:   p/PLUMED/PLUMED-2.8.0-fosscuda-2020b.eb
	modified:   p/Paraver/Paraver-4.10.0-foss-2021a.eb
	new file:   q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb
	new file:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-test.eb
	new file:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.0-intel-2020b-forQMCPACK.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.0-intel-2020b-test.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-intel-2020b-forQMCPACK-fix-UtilXlib-Makefile-tab.patch
	new file:   s/SDE/SDE-9.0.0.eb
 2022-05-05 10:20:31 +02:00
Jakub Kropáček
1428b5d13b Delete QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old 2022-04-19 08:55:08 +02:00
Jakub Kropáček
aac891c4c9 Delete QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken 2022-04-19 08:55:00 +02:00
Jakub Kropáček
0e9ec7baf3 Delete QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old 2022-04-19 08:54:43 +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 
new file:   i/impi/impi-2021.4.0-intel-compilers-2021.4.0.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:   p/Paraver/Paraver-4.10.0-foss-2021a.eb
	new file:   p/PySCF/PySCF-2.0.1-foss-2021a.eb
	modified:   q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.0-intel-2021a.eb
	modified:   r/R/R-4.1.0-foss-2021a.eb
	new file:   v/VASP/VASP-6.3.0-intel-2021b-mkl=sequential.eb
 2022-04-14 15:20:43 +02:00
Lukas Krupcik
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
 2022-04-14 15:20:32 +02:00
Lukas Krupcik
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
 2022-03-30 11:27:29 +02:00
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