2623 Commits

Author SHA1 Message Date
Lukas Krupcik
d711dd56c5 Merge branch 'it4i-karolina' 2023-11-22 09:22:13 +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
e2c1c4720a Merge branch 'it4i-karolina' 2023-11-21 08:12:13 +01:00
Lukas Krupcik
6249a42bf9 new file: a/ANSYS/ANSYS-2023R2-intel-2022.12.eb 2023-11-21 08:11:45 +01:00
Lukas Krupcik
985e76e3a7 Merge branch 'it4i-karolina' 2023-11-16 11:13:48 +01:00
Lukas Krupcik
e03effe24f new file: a/ABINIT/ABINIT-9.10.3-intel-2022a.eb
new file:   a/ANSYS/ANSYS-2023R1-intel-2022a-vut.eb
	new file:   c/cuQuantum/cuQuantum-23.10.0.6_cuda12-conda.eb
	new file:   g/GPAW/GPAW-23.9.1-intel-2022a.eb
2023-11-16 11:12:53 +01:00
Lukas Krupcik
8caf8eff64 Merge branch 'it4i-karolina' 2023-11-06 10:43:38 +01:00
Lukas Krupcik
bec1bb4209 new file: p/phonopy/phonopy-1.9.1-conda.eb 2023-11-06 10:42:56 +01:00
Lukas Krupcik
a54eb74f25 Merge branch 'it4i-karolina' 2023-11-03 11:15:50 +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
ad2b1441bb Merge branch 'it4i-karolina' 2023-11-01 12:25:35 +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
ad3c92e920 Merge branch 'it4i-karolina' 2023-10-31 12:45:45 +01:00
Lukas Krupcik
1bf443f20d deleted: "q/Qt6/\\" 2023-10-31 12:45:25 +01:00
Lukas Krupcik
6d7e23a55f Merge branch 'it4i-karolina' 2023-10-31 12:43:01 +01:00
Lukas Krupcik
2c6db9485c new file: g/GROMACS/GROMACS-2023-foss-2022a-CUDA-12.0.0-PLUMED-2.9.0-mpi.eb
modified:   g/GROMACS/GROMACS-2023-foss-2022a-CUDA-12.0.0-PLUMED-2.9.0.eb
	new file:   p/PLUMED/PLUMED-2.9.0-foss-2022a-mpi.eb
	modified:   p/PLUMED/PLUMED-2.9.0-foss-2022a.eb
2023-10-31 12:42:37 +01:00
Lukas Krupcik
9991c7a339 Merge branch 'it4i-karolina' 2023-10-30 14:39:10 +01:00
Lukas Krupcik
f4646b1f4a Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-karolina 2023-10-30 14:38:44 +01:00
Lukas Krupcik
00b0855a50 modified: g/GROMACS/GROMACS-2023-foss-2022a-CUDA-12.0.0-PLUMED-2.9.0.eb 2023-10-30 14:38:43 +01:00
easybuild
114afcbab8 cs 2023-10-30 14:37:55 +01:00
Lukas Krupcik
98825a4611 Merge branch 'it4i-barbora' 2023-10-30 11:36:32 +01:00
Lukas Krupcik
3cbdf0da68 Merge branch 'it4i-karolina' 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
c4fcf9fa8b Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-karolina 2023-10-30 11:35:43 +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
Lukáš Krupčík
fae02f779e Merge branch 'master' into 'master'
add Blender/3.6.5-GCC-10.3.0

See merge request sccs/easyconfigs-it4i!43
2023-10-28 15:51:40 +02:00
Milan Jaros
a94740d687 add Blender/3.6.5-GCC-10.3.0 2023-10-28 15:30:50 +02:00
Lukas Krupcik
5199a98b32 Merge branch 'it4i-karolina' 2023-10-04 11:21:30 +02:00
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
edd83a3585 Merge branch 'it4i-karolina' 2023-10-03 08:25:57 +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
50891d5222 Merge branch 'it4i-karolina' 2023-09-27 09:24:00 +02:00
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
4df1b87939 Merge branch 'it4i-karolina' 2023-09-25 09:24:55 +02:00
Lukas Krupcik
2d321a93a5 new file: p/phono3py/phono3py-2.7.0-conda.eb
modified:   p/phonopy/phonopy-2.20.0-conda.eb
2023-09-25 09:24:37 +02:00
Lukas Krupcik
c5fd813c17 Merge branch 'it4i-karolina' 2023-09-25 09:15:22 +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
09cf5bbb5c Merge branch 'it4i-karolina' 2023-09-21 11:53:31 +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
efdc9cfdd6 Merge branch 'it4i-karolina' 2023-09-20 13:01:05 +02:00
Lukas Krupcik
4fb07bdbc1 new file: p/PETSc/PETSc-3.19.2-foss-2022b.eb 2023-09-20 13:00:34 +02:00
Lukas Krupcik
5ab3157b5e Merge branch 'it4i-karolina' 2023-09-14 11:44:01 +02:00
Lukas Krupcik
ec5e1b760f new file: p/PMIx/PMIx-3.2.5.eb
new file:   p/PMIx/PMIx-4.2.6.eb
	new file:   p/PMIx/PMIx-5.0.1.eb
2023-09-14 11:43:25 +02:00
Lukas Krupcik
17b2014ee8 Merge branch 'it4i-karolina' 2023-09-14 09:05:16 +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
ae51ac22ce Merge branch 'it4i-karolina' 2023-08-29 09:27:39 +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
872aeffb4e Merge branch 'it4i-barbora' 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