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16 Commits

Author SHA1 Message Date
Pavel Holba
c9c473309d new file: h/HyperQueue/HyperQueue-0.20.0.eb 2024-09-25 09:34:40 +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
dde97d4fde new file: g/GROMACS/GROMACS-2023.4-foss-2022a-CUDA-12.0.0-v2.eb 
new file:   g/GROMACS/GROMACS-2024-foss-2022a-CUDA-12.0.0-v2.eb
	new file:   h/HyperQueue/HyperQueue-0.18.0.eb
	new file:   s/stda/stda-1.6.3.eb
	new file:   x/xtb4stda/xtb4stda-1.0.eb
 2024-02-14 12:24:49 +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
bba2619fcc new file: a/Amber/Amber-22.0-foss-2021b-AmberTools-23.0.eb 
new file:   h/HyperQueue/HyperQueue-0.16.0.eb
	new file:   l/LAMMPS/LAMMPS-23Jun2022-foss-2021b-kokkos-SNAP.eb
 2023-07-13 11:51:31 +02:00
Lukas Krupcik
14688d20da new file: h/HyperQueue/HyperQueue-0.15.0.eb 2023-04-18 12:34:44 +02:00
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
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
Jakub Kropacek
ea0840ea06 new file: g/gpu_burn/gpu_burn-1.1-NVHPC-22.2-CUDA-11.6.0.eb 
new file:   h/HyperQueue/HyperQueue-0.12.0.eb
	new file:   n/nano/nano-6.4-GCCcore-11.3.0.eb
	deleted:    n/nano/nano-6.4.eb
 2022-09-07 16:48:10 +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
1be5084bb8 modified: h/HyperQueue/HyperQueue-0.10.0.eb 
new file:   v/vaspkit/vaspkit-1.3.3-foss-2020b-fix-install.patch
	new file:   v/vaspkit/vaspkit-1.3.3-foss-2020b.eb
	deleted:    v/vaspkit/vaspkit-1.3.3-fix-setup-script.patch
	deleted:    v/vaspkit/vaspkit-1.3.3.eb
 2022-05-23 12:28:59 +02:00
Jakub Kropacek
094a092a73 new file: h/HyperQueue/HyperQueue-0.10.0.eb 
new file:   p/PyTorch/PyTorch-1.11.0-foss-2021a-CUDA-11.3.1.eb
	modified:   p/PyTorch/PyTorch-1.11.0-fosscuda-2020b.eb
	new file:   p/PyTorch/PyTorch-1.11.0_disable_failing_jit_cuda_fuser_tests.patch
	new file:   p/PyTorch/PyTorch-1.11.0_fix_sharded_imports.patch
	new file:   p/PyTorch/PyTorch-1.11.0_fix_skip_jit_cuda_fuser.patch
	new file:   p/PyTorch/PyTorch-1.11.0_increase-distributed-test-timeout.patch
	new file:   p/PyTorch/PyTorch-1.11.0_increase_c10d_gloo_timeout.patch
	new file:   p/PyTorch/PyTorch-1.11.0_increase_test_tolerances_TF32.patch
	new file:   p/PyTorch/PyTorch-1.11.0_skip_failing_ops_tests.patch
 2022-05-23 11:13:06 +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
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
9b8445d305 new file: a/ANSYS/ANSYS-21.2-intel-2020b-alamerini.eb 
new file:   h/HyperQueue/HyperQueue-0.6.0.eb
	modified:   p/PSI4/PSI4-1.3.2-intel-2020a-Python-3.8.2-karolina.eb
 2021-11-15 09:27:17 +01:00
Lukas Krupcik
821d36f194 new file: h/HyperQueue/HyperQueue-0.4.0.eb 2021-08-09 08:56:52 +02:00