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291 Commits

Author SHA1 Message Date
Lukas Krupcik
6d83cefa57 Merge branch 'it4i-dgx' 2024-06-03 07:05:41 +02:00
Lukas Krupcik
27d03d92d0 modified: o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.11-CUDA-12.2.0-dgx.eb 2024-06-03 07:05:30 +02:00
Lukas Krupcik
e3350cbdb9 new file: h/HDF5/HDF5-1.14.4-GCC-11.3.0-serial.eb 
new file:   h/HyperQueue/HyperQueue-0.19.0.eb
	new file:   o/Octopus/Octopus-2aada6cb0732113638b17ddf6f7f0be0-intel-2020b-mpi-parallel-restart.eb
	new file:   p/Python/Python-3.11.5-GCCcore-13.2.0-sqsgenerator.eb
	modified:   p/pymatgen/pymatgen-2022.0.12-foss-2020b.eb
	new file:   s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb
 2024-06-03 07:05:11 +02:00
Lukas Krupcik
ec79b73c4a new file: c/Critic2/Critic2-1.1stable-intel-2020b.eb 
modified:   h/HDF5/HDF5-1.10.6-intel-2020b-parallel.eb
	new file:   l/libcint/libcint-5.5.0-gfbf-2023b.eb
	new file:   l/libxc/libxc-4.3.4-foss-2023b.eb
	modified:   l/libxc/libxc-4.3.4-intel-2020b.eb
	modified:   n/netCDF-Fortran/netCDF-Fortran-4.5.3-intel-2020b.eb
	modified:   n/netCDF/netCDF-4.7.4-intel-2020b.eb
	modified:   o/Octopus/Octopus-11.3-intel-2020b-mpi.eb
	new file:   o/OpenMPI/OpenMPI-4.1.6-GCC-12.2.0-CUDA-12.4.0.eb
 2024-05-21 09:19:43 +02:00
Lukas Krupcik
ba185e3268 modified: a/Autoconf/Autoconf-2.69.eb 
new file:   a/apptainer/apptainer-1.2.5.eb
	new file:   a/apptainer/apptainer-1.3.0.eb
	modified:   a/apptainer/apptainer-1.3.1.eb
	modified:   d/Dakota/Dakota-6.15.0-foss-2021b.eb
	modified:   d/Dakota/Dakota-6.15.0-intel-2021b.eb
	new file:   g/GSL/GSL-2.7-intel-compilers-2023.2.1.eb
	modified:   h/HDF5/HDF5-1.12.1-foss-2021b-parallel.eb
	new file:   h/htop/htop-3.3.0.eb
	new file:   l/libxc/libxc-6.2.2-intel-compilers-2023.2.1.eb
	new file:   n/netCDF-Fortran/netCDF-Fortran-4.6.1-iimpi-2023b.eb
	new file:   n/netCDF/netCDF-4.9.2-iimpi-2023b.eb
	new file:   o/Octopus/Octopus-14.1-intel-2023b-mpi.eb
	new file:   s/squashfs-tools/squashfs-tools-4.6.1.eb
	new file:   u/uncertainties/uncertainties-3.1.7-foss-2023b.eb
 2024-05-14 13:18:54 +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
ecddf0cc0f new file: o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.11-CUDA-12.2.0-dgx.eb 2024-01-30 08:09:27 +01:00
Lukas Krupcik
dfc20b2fae new file: o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.11-CUDA-12.2.0-barbora.eb 
modified:   o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.11-CUDA-12.2.0.eb
 2024-01-18 14:40:58 +01:00
Lukas Krupcik
2222b4cb88 new file: a/ANSYS/ANSYS-2023R2-intel-2022.12-palanti.eb 
new file:   c/CP2K/CP2K-2024.1-foss-2022a.eb
	new file:   h/HDF5/HDF5-1.14.0-nvompi-2022.07.eb
	new file:   h/HDF5/HDF5-1.14.0-nvompi-2023.03.eb
	new file:   h/HDF5/HDF5-1.14.0-nvompi-2023.05.eb
	new file:   h/HDF5/HDF5-1.14.0-nvompi-2023.11.eb
	new file:   n/NCCL/NCCL-2.19.4-GCCcore-13.2.0-CUDA-12.2.0.eb
	new file:   n/NVHPC/NVHPC-23.11.eb
	modified:   n/NVHPC/NVHPC-23.7.eb
	new file:   n/nvompi/nvompi-2023.03.eb
	new file:   n/nvompi/nvompi-2023.05.eb
	new file:   n/nvompi/nvompi-2023.11.eb
	modified:   o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.11-CUDA-12.2.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.11-CUDA-12.2.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.3-CUDA-12.2.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.5-CUDA-12.2.0.eb
	new file:   p/pkgconf/pkgconf-2.0.3-NVHPC-23.11.eb
	new file:   u/UCC-CUDA/UCC-CUDA-1.2.0-GCCcore-13.2.0-CUDA-12.2.0.eb
	new file:   u/UCX-CUDA/UCX-CUDA-1.15.0-GCCcore-13.2.0-CUDA-12.2.0.eb
	deleted:    h/HDF5/HDF5-1.14.0-NVHPC-23.5.eb
 2024-01-18 10:45:17 +01:00
Lukas Krupcik
eb90077777 modified: o/OpenMPI/OpenMPI-4.1.6-GCC-13.2.0.eb 2024-01-05 13:56:15 +01:00
Lukas Krupcik
41d895c99c new file: a/ADIOS2/ADIOS2-2.9.2-gompi-2020b.eb 
new file:   a/ANSYS/ANSYS-2023R2-intel-2022.12-alamerini.eb
	new file:   c/cuTENSOR/cuTENSOR-2.0.0.7-CUDA-12.2.0.eb
	new file:   n/NWChem/NWChem-7.2.2-intel-2020a-Python-3.8.2-karolina.eb
	new file:   n/NWChem/NWChem-7.2.2-intel-2022a.eb
	new file:   o/OpenMPI/OpenMPI-4.1.4-GCC-10.2.0-CUDA-11.7.0.eb
	new file:   o/openPMD-api/openPMD-api-0.15.2-gompi-2020b.eb
	new file:   p/pkgconf/pkgconf-1.8.0-GCCcore-10.2.0.eb
	new file:   p/pkgconfig/pkgconf-1.8.0-GCCcore-10.2.0.eb
	new file:   s/Smilei/Smilei-5.0-intel-2020b-CUDA-12.2.0.eb
	new file:   s/Smilei/Smilei-5.0-intel-2020b.eb
	new file:   u/UCC/UCC-1.1.0-GCCcore-10.2.0.eb
	new file:   u/UCX-CUDA/UCX-CUDA-1.12.1-GCCcore-10.2.0-CUDA-11.7.0.eb
	new file:   u/UCX/UCX-1.12.1-GCCcore-10.2.0.eb
 2023-11-29 11:52:30 +01:00
Lukas Krupcik
59cb428266 new file: a/ADIOS2/ADIOS2-2.7.0-gompi-2020e.eb 
new file:   c/c-blosc/c-blosc-1.21.0-GCC-10.3.0.eb
	new file:   g/gompi/gompi-2020e.eb
	new file:   h/HDF5/HDF5-1.12.0-gompi-2020e.eb
	new file:   l/libfabric/libfabric-1.11.0-GCCcore-10.3.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.4-GCC-10.3.0-CUDA-11.3.1.eb
	new file:   o/openPMD-api/openPMD-api-0.14.4-gompi-2020e.eb
	new file:   p/PNGwriter/PNGwriter-0.7.0-GCC-10.3.0.eb
 2023-11-22 09:21:06 +01:00
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
0f39159228 new file: h/HyperQueue/HyperQueue-0.17.0.eb 
new file:   o/OpenMPI/OpenMPI-4.1.6-GCC-13.2.0.eb
 2023-11-01 12:25:07 +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
31c8108e32 modified: g/GROMACS/GROMACS-2021.4-fosscuda-2020b-PLUMED-2.7.3.eb 
new file:   o/OpenMX/OpenMX-3.9-foss-2022b.eb
	modified:   p/PLUMED/PLUMED-2.7.3-fosscuda-2020b.eb
	new file:   s/ScaLAPACK/ScaLAPACK-3.0-intel-2023a.eb
 2023-10-04 11:21:01 +02:00
Lukas Krupcik
be26b921d8 new file: o/OpenMolcas/OpenMolcas-23.06-intel-2022a.eb 2023-10-03 08:25:23 +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
7da84bec75 modified: archive/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27.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
	new file:   o/OpenMPI/OpenMPI-3.1.6-GCC-10.2.0.eb
	modified:   o/OpenMPI/OpenMPI-3.1.6-GCCcore-8.3.0.eb
	new file:   o/OpenMPI/OpenMPI-4.0.3-GCC-9.3.0.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
	new file:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0.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-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-4.0.6-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.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-4.1.0-GCC-10.2.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-AOCC-3.1.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0-test.eb
	new file:   o/OpenMPI/OpenMPI-4.1.2-GCC-10.2.0.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-NVHPC-23.5-CUDA-12.2.0-dgx.eb
	modified:   o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0.eb
	new file:   o/OpenMPI/fix-sys-mount.patch
	deleted:    o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-test.eb
 2023-09-21 11:52:57 +02:00
Lukas Krupcik
21aadb6bd4 new file: a/ANSYS/ANSYS-2023R1-intel-2022a-alamerini.eb 
new file:   a/arpack-ng/arpack-ng-3.8.0-intel-2022a.eb
	new file:   c/Code_Aster/Code_Aster-14.6-Python-3.11.3-GCC-12.3.0.eb
	new file:   d/DFTB+/DFTB+-23.1-intel-2022a.eb
	new file:   d/dftd3-lib/dftd3-lib-0.10-GCC-11.3.0.eb
	new file:   d/dftd3-lib/dftd3-lib-0.9.2-GCC-11.3.0.eb
	new file:   d/dftd3-lib/dftd3-lib-0.9.2-GCC-12.2.0.eb
	new file:   e/ELPA/ELPA-2022.05.001-intel-2022b.eb
	new file:   e/ELSI/ELSI-2.9.1-intel-2022a.eb
	new file:   h/HDF5/HDF5-1.10.3-foss-2022b.eb
	new file:   h/HDF5/HDF5-1.10.3.patch
	new file:   m/MEDCoupling/MEDCOUPLING-9.10.0-foss-2022b.eb
	new file:   m/medfile/medfile-4.1.1-foss-2021b.eb
	new file:   m/medfile/medfile-4.1.1-foss-2022b.eb
	new file:   o/ORCA/ORCA-5.0.3-foss-2022a.eb
	new file:   o/ORCA/ORCA-5.0.3-foss-2022b.eb
	new file:   o/OVITO/OVITO-3.9.2-GCCcore-12.2.0-pro.eb
	new file:   o/OpenMPI/OpenMPI-4.1.0-GCC-10.2.0.eb
	new file:   p/Python/Python-3.11.3-GCCcore-12.3.0-test.eb
	new file:   p/Python/Python-3.8.6-GCCcore-10.2.0-alpha.eb
	new file:   p/Python/Python-3.8.6-GCCcore-9.3.0-alpha.eb
	new file:   s/SALOME_CONFIGURATION/SALOME_CONFIGURATION-9.10.0.eb
	new file:   t/tblite/tblite-0.3.0-intel-2022a.eb
	new file:   t/tblite/tblite-0.3.0-intel-2022b.eb
	new file:   x/XZ/XZ-5.4.2-GCCcore-12.3.0.eb
 2023-09-14 09:04:23 +02:00
Lukas Krupcik
95ef534416 new file: c/CheMPS2/CheMPS2-1.8.12-foss-2022b.eb 
new file:   n/networkx/networkx-3.1-foss-2022b.eb
	modified:   o/OpenMPI/OpenMPI-4.1.4-GCC-12.2.0.eb
	new file:   p/PSI4/PSI4-1.7-foss-2021b.eb
	new file:   p/PSI4/PSI4-1.8.1-foss-2022b.eb
	new file:   p/PSI4/PSI4-1.8.1_fix_cmake_release.patch
	new file:   p/PSI4/PSI4-1.8.1_fix_snsmp2_version.patch
	new file:   p/pytest/pytest-7.2.2-GCCcore-12.2.0.eb
	new file:   s/SciPy-bundle/SciPy-bundle-2023.02-foss-2022b.eb
 2023-08-29 09:26:56 +02:00
Lukas Krupcik
cf5e3e9871 Merge branch 'it4i-dgx' 2023-08-22 13:00:57 +02:00
Lukas Krupcik
0c0558696d modified: o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0-dgx.eb 2023-08-22 13:00:43 +02:00
Lukas Krupcik
5be8e76f44 modified: n/NCCL/NCCL-2.18.3-CUDA-12.2.0.eb 
new file:   n/NCCL/NCCL-2.18.3-NVHPC-23.7-CUDA-12.2.0.eb
	new file:   n/NVHPC/NVHPC-23.7.eb
	new file:   n/numactl/numactl-2.0.16.eb
	deleted:    o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0-test.eb
 2023-08-22 13:00:35 +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
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	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb
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	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
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	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
b65ecfe43d new file: a/AlphaPulldown/AlphaPulldown-0.30.7-foss-2020b.eb 
new file:   a/AlphaPulldown/AlphaPulldown-0.30.7-fosscuda-2020b.eb
	new file:   o/OpenMM/OpenMM-7.5.0-fosscuda-2020b.eb
	new file:   t/TensorFlow/TensorFlow-2.4.1-foss-2020b.eb
	new file:   t/TensorFlow/TensorFlow-2.4.1-fosscuda-2020b.eb
 2023-08-17 08:22:52 +02:00
Lukas Krupcik
4a7726cdbc Merge branch 'it4i-dgx' 2023-08-11 11:29:07 +02:00
Lukas Krupcik
a0341d1f3d modified: o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0-dgx.eb 
modified:   u/UCX-CUDA/UCX-CUDA-1.14.1-GCCcore-12.2.0-CUDA-12.2.0.eb
	modified:   u/UCX/UCX-1.14.1-GCCcore-12.2.0.eb
 2023-08-11 11:28:53 +02:00
Lukas Krupcik
8ffbe2337b new file: o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0-test.eb 2023-08-11 11:28:43 +02:00
Lukas Krupcik
8ed7dad8de Merge branch 'it4i-dgx' 2023-08-09 10:14:40 +02:00
Lukas Krupcik
d8075b7e6b new file: o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0-dgx.eb 2023-08-09 10:14:30 +02:00
Lukas Krupcik
767a649b62 modified: o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0.eb 2023-08-09 10:14:24 +02:00
Lukas Krupcik
7542a244a8 modified: n/NCCL/NCCL-2.16.2-GCCcore-12.2.0-CUDA-12.2.0.eb 
modified:   o/OpenMPI/OpenMPI-4.1.5-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:   u/UCC/UCC-1.1.0-GCCcore-12.2.0.eb
	new file:   u/UCX-CUDA/UCX-CUDA-1.13.1-GCCcore-12.2.0-CUDA-12.2.0.eb
	new file:   u/UCX-CUDA/UCX-CUDA-1.14.1-GCCcore-12.2.0-CUDA-12.2.0.eb
	new file:   u/UCX/UCX-1.14.1-GCCcore-12.2.0.eb
	deleted:    u/UCX-CUDA/UCX-CUDA-1.14.0-GCCcore-12.2.0-CUDA-12.2.0.eb
 2023-08-08 11:59:23 +02:00
Lukas Krupcik
2292a92da3 Merge branch 'it4i-dgx' 2023-08-08 09:25:08 +02:00
Lukas Krupcik
b88bcade3e modified: c/CUDAcore/CUDAcore-11.6.0.eb 
new file:   f/FFTW/FFTW-3.3.10-NVHPC-23.5-CUDA-12.2.0.eb
	new file:   n/NCCL/NCCL-2.16.2-GCCcore-12.2.0-CUDA-12.2.0.eb
	modified:   n/NVHPC/NVHPC-22.2.eb
	new file:   o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0.eb
	new file:   p/Perl/Perl-5.34.1-GCCcore-11.3.0.eb
	modified:   p/pkg-config/pkg-config-0.29.2.eb
	new file:   p/pkgconf/pkgconf-1.8.0-GCCcore-12.2.0.eb
	new file:   u/UCC-CUDA/UCC-CUDA-1.1.0-GCCcore-12.2.0-CUDA-12.2.0.eb
	new file:   u/UCX-CUDA/UCX-CUDA-1.14.0-GCCcore-12.2.0-CUDA-12.2.0.eb
 2023-08-08 09:24:57 +02:00
Lukas Krupcik
77db6a9bdc new file: o/OpenMPI/OpenMPI-4.1.5-GCC-12.3.0.eb 2023-08-08 09:24:48 +02:00
Lukas Krupcik
c923b98a1c modified: o/OpenMPI/OpenMPI-4.0.0-GCC-6.3.0-2.27.eb 2023-07-26 08:22:29 +02:00
Lukas Krupcik
9d172b56d8 Merge branch 'it4i-dgx' 2023-07-21 12:59:26 +02:00
Lukas Krupcik
ed51e65f45 modified: o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.3.0.eb 2023-07-21 12:59:11 +02:00
Lukas Krupcik
3cfaab4197 modified: o/OpenMPI/OpenMPI-1.10.1-GCC-4.9.3-2.25.eb 
modified:   o/OpenMPI/OpenMPI-1.10.1-GNU-4.9.3-2.25.eb
	modified:   o/OpenMPI/OpenMPI-1.10.2-GCC-4.9.3-2.25.eb
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	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
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	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:   u/UCX/UCX-1.12.0-GCC-10.2.0-CUDA-11.6.0.eb
	modified:   u/UCX/UCX-1.12.0-NVHPC-22.2-CUDA-11.6.0.eb
 2023-07-21 12:58:59 +02:00
Lukas Krupcik
afe7bf8bae new file: a/ADIOS2/ADIOS2-2.7.0-gompi-2020d.eb 
new file:   a/ANN/ANN-1.1.2-GCC-12.2.0.eb
	new file:   c/Cgicc/Cgicc-3.2.19-GCC-12.2.0.eb
	new file:   c/CoordgenLibs/CoordgenLibs-3.0.1-gompi-2022b.eb
	new file:   c/c-blosc/c-blosc-1.21.0-GCC-10.2.0.eb
	new file:   f/FastCGI/FastCGI-2.4.2-GCC-12.2.0.eb
	new file:   g/GDB/GDB-12.1-GCCcore-11.3.0.eb
	new file:   g/GDB/GDB-13.2-GCCcore-12.2.0.eb
	new file:   g/GMP/GMP-6.2.1.eb
	new file:   g/gompi/gompi-2020d.eb
	new file:   g/gperftools/gperftools-2.10-GCCcore-12.2.0.eb
	new file:   h/HDF5/HDF5-1.12.0-gompi-2020d.eb
	modified:   h/hwloc/hwloc-1.11.7-GCC-10.2.0.eb
	new file:   i/ISL/ISL-0.24-GCCcore-12.2.0.eb
	new file:   i/ISL/ISL-0.24.eb
	new file:   j/JsonCpp/JsonCpp-1.9.5-GCCcore-12.2.0.eb
	new file:   k/kim-api/kim-api-2.3.0-GCCcore-11.2.0.eb
	modified:   l/LAMMPS/LAMMPS-23Jun2022-foss-2021b-kokkos.eb
	new file:   l/LEMON/LEMON-1.3.1-GCC-12.2.0.eb
	new file:   m/MPC/MPC-1.2.1-GCCcore-12.2.0.eb
	new file:   m/MPC/MPC-1.2.1.eb
	new file:   m/MPFR/MPFR-4.1.0-GCCcore-12.2.0.eb
	new file:   m/maeparser/maeparser-1.3.0-gompi-2022b.eb
	new file:   m/makeinfo/makeinfo-6.8-GCCcore-12.2.0.eb
	new file:   o/OpenBabel/OpenBabel-3.1.1-gompi-2022b.eb
	new file:   o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0-CUDA-12.2.0.eb
	modified:   o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0.eb
	new file:   o/openPMD-api/openPMD-api-0.14.4-gompi-2020d.eb
	new file:   p/PNGwriter/PNGwriter-0.7.0-GCC-10.2.0.eb
	new file:   s/SWIG/SWIG-4.0.2-GCCcore-12.2.0.eb
 2023-07-11 11:24:41 +02:00
Lukas Krupcik
e618ab5319 modified: o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0-CUDA-11.7.0.eb 2023-05-10 09:39:34 +02:00
Lukas Krupcik
a3ef551a85 new file: a/AOMP/AOMP-17.0-1-gcccuda-2022b.eb 
new file:   c/CGAL/CGAL-5.2.4-gompi-2022b.eb
	new file:   c/CGAL/CGAL-5.2.4-iimpi-2022b.eb
	new file:   g/gcccuda/gcccuda-2022b.eb
	new file:   g/glibc/glibc-2.37-GCCcore-12.2.0.eb
	new file:   h/HDF5/HDF5-1.14.0-iimpi-2022b.eb
	new file:   k/KaHIP/KaHIP-3.14-iimpi-2022b.eb
	new file:   n/netCDF/netCDF-4.9.0-iimpi-2022b.eb
	new file:   o/OpenFOAM/OpenFOAM-v2206-foss-2022a.eb
	new file:   o/OpenFOAM/OpenFOAM-v2212-cleanup.patch
	new file:   o/OpenFOAM/OpenFOAM-v2212-intel-2022b.eb
	new file:   o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0-CUDA-11.7.0.eb
	new file:   p/ParaView/ParaView-5.11.0-intel-2022b-mpi.eb
	new file:   p/pkg-config/pkg-config-0.29.2-GCCcore-12.2.0.eb
	new file:   s/SCOTCH/SCOTCH-7.0.3-gompi-2022b.eb
	new file:   s/SCOTCH/SCOTCH-7.0.3-iimpi-2022b.eb
	new file:   t/texinfo/texinfo-7.0.2-GCCcore-12.2.0.eb
 2023-05-04 14:18:28 +02:00
Lukas Krupcik
d6496c3212 deleted: o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb.1 2023-04-24 14:10:48 +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
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	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
Lukas Krupcik
ec3e858279 new file: g/GROMACS/GROMACS-2022-constantph-fix_missing_header.patch 
new file:   g/GROMACS/GROMACS-2022-foss-2022a-constantph.eb
	new file:   g/git/git-2.38.1.eb
	modified:   l/libmad/libmad-0.15.1b-GCCcore-11.3.0.eb
	new file:   l/libmad/libmad-0.15.1b-GCCcore-12.2.0.eb
	new file:   l/libmad/libmad-0.15.1b-remove-depreciated-gcc-option.patch
	new file:   n/NVHPC/NVHPC-23.1.eb
	new file:   n/NVSHMEM/NVSHMEM-2.8.0-gompi-2022a-CUDA-11.7.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb
	new file:   s/STAR-CCM+/STAR-CCM+-18.02.008-r8.eb
	new file:   s/SoX/SoX-14.4.2-GCCcore-12.2.0.eb
	modified:   x/XALT/XALT-2.10.45-GPU-eb.eb
 2023-03-28 21:34:37 +02:00
Jakub Kropacek
20f7df7596 new file: d/DFT-D3/DFT-D3-3.2.0-intel-compilers-2022.1.0.eb 
new file:   h/Horovod/Horovod-0.27.0-foss-2021a-CUDA-11.7.0-TensorFlow-2.10.1.eb
	modified:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.11-CUDA-11.4.1-v2.eb
	modified:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.9-CUDA-11.4.1-v2.eb
	modified:   o/OpenMPI/OpenMPI-4.0.7-NVHPC-21.9-CUDA-11.4.1.eb
	modified:   o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0-v2.eb
	modified:   o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0.eb
	new file:   s/Siesta/Siesta-4.1.5-intel-2022a.eb
	new file:   t/TensorFlow/TensorFlow-1.13.1-fosscuda-2019a-Python-3.7.2.eb
	new file:   t/TensorFlow/TensorFlow-2.10.1-foss-2022a-CUDA-11.7.0.eb
	new file:   t/TensorFlow/TensorFlow-2.5.0-fosscuda-2020b.eb
	new file:   t/TensorFlow/TensorFlow-2.7.1-foss-2021b-CUDA-11.4.1.eb
	new file:   t/TensorFlow/TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch
	new file:   t/TensorFlow/TensorFlow-2.8.4_resolve-gcc-symlinks.patch
	new file:   t/TensorFlow/TensorFlow-2.9.1_fix-include-def.patch
	new file:   t/TensorFlow/TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch
	new file:   t/TensorFlow/TensorFlow-2.9.1_remove-libclang-and-io-gcs-deps.patch
	new file:   t/TensorFlow/TensorFlow-2.9.1_test.patch
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	new file:   t/TensorFlow/Tensorflow-1.1.0-CUDA-7.5.18-Python-3.6.1.eb
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	new file:   t/TensorFlow/Tensorflow-1.12.0-GCC-6.3.0-2.27-Python-3.6.1.eb
	new file:   t/TensorFlow/Tensorflow-1.2.0-GCC-7.1.0-2.28.eb
	new file:   t/TensorFlow/Tensorflow-1.2.1-Python-3.6.1.eb
	new file:   t/TensorFlow/Tensorflow-1.6.0rc0-CUDA-9.0.176-Python-3.6.1.eb
	new file:   t/TensorFlow/Tensorflow-1.6.0rc0-Python-3.6.1.eb
	new file:   t/TensorFlow/Tensorflow-Python-3.6.1.eb
	new file:   t/TensorFlow/old-TensorFlow-2.10.0-foss-2022a-CUDA-11.7.0.eb
	new file:   w/WIEN2k/WIEN2k-23.2-intel-2021a.eb
	new file:   w/WIEN2k/WIEN2k-23.2-intel-2022a.eb
	deleted:    t/Tensorflow/TensorFlow-1.13.1-fosscuda-2019a-Python-3.7.2.eb
	deleted:    t/Tensorflow/TensorFlow-2.10.1-foss-2022a-CUDA-11.7.0.eb
	deleted:    t/Tensorflow/TensorFlow-2.5.0-fosscuda-2020b.eb
	deleted:    t/Tensorflow/TensorFlow-2.7.1-foss-2021b-CUDA-11.4.1.eb
	deleted:    t/Tensorflow/TensorFlow-2.8.4_exclude-xnnpack-on-ppc.patch
	deleted:    t/Tensorflow/TensorFlow-2.8.4_resolve-gcc-symlinks.patch
	deleted:    t/Tensorflow/TensorFlow-2.9.1_fix-include-def.patch
	deleted:    t/Tensorflow/TensorFlow-2.9.1_remove-duplicate-gpu-tests.patch
	deleted:    t/Tensorflow/TensorFlow-2.9.1_remove-libclang-and-io-gcs-deps.patch
	deleted:    t/Tensorflow/TensorFlow-2.9.1_test.patch
	deleted:    t/Tensorflow/TensorFlow-test.eb
	deleted:    t/Tensorflow/Tensorflow-1.1.0-CUDA-7.5.18-Python-3.6.1.eb
	deleted:    t/Tensorflow/Tensorflow-1.1.0-CUDA-8.0.44-Python-3.6.1.eb
	deleted:    t/Tensorflow/Tensorflow-1.1.0-Python-3.6.1.eb
	deleted:    t/Tensorflow/Tensorflow-1.12.0-GCC-6.3.0-2.27-Python-3.6.1.eb
	deleted:    t/Tensorflow/Tensorflow-1.2.0-GCC-7.1.0-2.28.eb
	deleted:    t/Tensorflow/Tensorflow-1.2.1-Python-3.6.1.eb
	deleted:    t/Tensorflow/Tensorflow-1.6.0rc0-CUDA-9.0.176-Python-3.6.1.eb
	deleted:    t/Tensorflow/Tensorflow-1.6.0rc0-Python-3.6.1.eb
	deleted:    t/Tensorflow/Tensorflow-Python-3.6.1.eb
	deleted:    t/Tensorflow/old-TensorFlow-2.10.0-foss-2022a-CUDA-11.7.0.eb
 2023-03-08 13:18:55 +01:00
Jakub Kropacek
3bc0abd4c1 new file: i/iompi/iompi-2020b.eb 
new file:   o/OpenMPI/OpenMPI-4.0.5-iccifort-2020.4.304.eb
	new file:   s/Score-P/Score-P-8.0-iimpi-2021b.eb
	deleted:    i/iompi/iompi-2020b-test.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.5-iccifort-2020.4.304-test.eb
 2023-03-02 08:18:18 +01:00
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
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