2052 Commits

Author SHA1 Message Date
Lukas Krupcik
f74b020df1 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-dgx 2022-04-19 09:06:46 +02:00
Lukas Krupcik
551ac64700 deleted: p/PhaseLink/PhaseLink-20210503.tar.gz 2022-04-19 09:06:46 +02:00
Lukas Krupcik
2572e96e21 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-barbora 2022-04-19 09:06:41 +02:00
Lukas Krupcik
f04fd486ab deleted: p/PhaseLink/PhaseLink-20210503.tar.gz 2022-04-19 09:06:41 +02:00
Lukas Krupcik
18df2702b4 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-karolina 2022-04-19 09:06:35 +02:00
Lukas Krupcik
e26fdf35ba deleted: p/PhaseLink/PhaseLink-20210503.tar.gz 2022-04-19 09:06:35 +02:00
Jakub Kropáček
247601548d Delete PhaseLink-20210503.tar.gz 2022-04-19 09:03:44 +02:00
Lukas Krupcik
66c687377a Merge branch 'it4i-dgx' 2022-04-19 08:59:26 +02:00
Lukas Krupcik
8b8a2d473a Merge branch 'it4i-barbora' 2022-04-19 08:59:26 +02:00
Lukas Krupcik
dbd60d9109 Merge branch 'it4i-karolina' 2022-04-19 08:59:26 +02:00
Lukas Krupcik
dd7a5fdd46 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-dgx 2022-04-19 08:58:45 +02:00
Lukas Krupcik
8a505e70df deleted: m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz
deleted:    p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old
	deleted:    q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
2022-04-19 08:58:45 +02:00
Lukas Krupcik
da1a29261e Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-barbora 2022-04-19 08:58:39 +02:00
Lukas Krupcik
442fbf1043 deleted: m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz
deleted:    p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old
	deleted:    q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
2022-04-19 08:58:37 +02:00
Lukas Krupcik
b0e805617a Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-karolina 2022-04-19 08:58:27 +02:00
Lukas Krupcik
c21fe476a4 new file: p/PhaseLink/PhaseLink-20210503-fix-python-bin.patch
new file:   p/PhaseLink/PhaseLink-20210503-fosscuda-2020b.eb
	new file:   p/PhaseLink/PhaseLink-20210503.tar.gz
	deleted:    m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz
	deleted:    p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old
	deleted:    q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken
	deleted:    q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
2022-04-19 08:58:27 +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
Jakub Kropáček
38024ee606 Delete mpi4pyscf-0.3.1.tar.gz 2022-04-19 08:54:27 +02:00
Jakub Kropáček
7183d127f5 Delete PySCF-2.0.1-intel-2020b.eb.broken 2022-04-19 08:54:01 +02:00
Lukas Krupcik
732d939a3f Merge branch 'it4i-barbora' 2022-04-14 15:21:29 +02:00
Lukas Krupcik
4d9d450c5b Merge branch 'it4i-karolina' 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
014a0e2a16 Merge branch 'it4i-barbora' 2022-03-30 11:28:00 +02:00
Lukas Krupcik
596b70dc18 Merge branch 'it4i-karolina' 2022-03-30 11:28:00 +02:00
Lukas Krupcik
c36d4b38bb Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-barbora 2022-03-30 11:27:30 +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
Lukas Krupcik
22833e341c merge master 2022-03-30 11:27:19 +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
Lukáš Krupčík
f9b20a6876 Merge branch 'master' into 'master'
add Blender 3.1.0

See merge request sccs/easyconfigs-it4i!35
2022-03-17 09:55:34 +01:00
Milan Jaros
306d0f4a3d add Blender 3.1 2022-03-17 09:50:58 +01:00
Lukas Krupcik
238c5e7645 Merge branch 'it4i-karolina' 2022-03-14 18:47:11 +01:00
Lukas Krupcik
6aebeeac3d new file: f/Forge/Forge-21.1.3-test.eb
new file:   o/OpenFOAM/OpenFOAM-9-foss-2021a.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:   u/UCX/UCX-1.12.0-GCC-10.2.0-CUDA-11.6.0.eb
	new file:   u/UCX/UCX-1.12.0-NVHPC-22.2-CUDA-11.6.0.eb
2022-03-14 18:46:35 +01:00
Lukas Krupcik
93279e24aa Merge branch 'it4i-barbora' 2022-03-09 12:07:24 +01:00
Lukas Krupcik
2dbd2c74c4 Merge branch 'it4i-karolina' 2022-03-09 12:07:24 +01:00
Lukas Krupcik
e570a59ff0 new file: s/SciPy-bundle/SciPy-bundle-2021.05-OpenMPI-4.1.1.eb 2022-03-09 12:07:05 +01:00
Lukas Krupcik
0b67bdf793 new file: n/NCCL/NCCL-2.11.4-gcccuda-2019b.eb
new file:   n/NCCL/NCCL-2.12.7-GCC-10.2.0-CUDA-11.6.eb
2022-03-09 12:06:54 +01:00
Lukas Krupcik
d0fefdefde Merge branch 'it4i-barbora' 2022-03-07 10:59:47 +01:00
Lukas Krupcik
19cb808385 Merge branch 'it4i-karolina' 2022-03-07 10:59:47 +01:00
Lukas Krupcik
bc435108fa Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-barbora 2022-03-07 10:59:04 +01:00
Lukas Krupcik
d22ce5028d new file: l/libnsl/libnsl-1.3.0-GCCcore-10.3.0.eb
new file:   q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb
2022-03-07 10:59:02 +01:00
Lukas Krupcik
b84289c4ff Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-karolina 2022-03-07 10:58:51 +01:00
Lukas Krupcik
efe0c6f353 new file: r/rocm-cuda2hip/rocm-cuda2hip-5.0.2-gcccuda-2020b.eb 2022-03-07 10:58:51 +01:00
Lukáš Krupčík
0ed56ad46d Merge branch 'master' into 'master'
add Blender-3.0.1-GCC-10.3.0.eb

See merge request sccs/easyconfigs-it4i!34
2022-03-07 10:56:09 +01:00
Milan Jaros
2c514bed7f add Blender-3.0.1-GCC-10.3.0.eb 2022-03-07 10:31:56 +01:00
easybuild
9e65728e88 new file: a/Automake/Automake-1.16.4.eb
new file:   b/BEEF/BEEF-0.1.1-intel-2020b.eb
	deleted:    b/Bison/Bison-3.0.4.eb
	new file:   b/BoltzTraP2/BoltzTraP2-20.7.1-intel-2020b-Python-3.8.6.eb
	new file:   c/CUDAcore/CUDAcore-11.6.0.eb
	new file:   f/Forge/Forge-21.1.3.eb
	deleted:    f/flex/flex-2.6.4.eb
	modified:   g/GROMACS/GROMACS-2020.4-fosscuda-2020b-PLUMED-2.7.0-patch.eb
	deleted:    m/M4/M4-1.4.17.eb
	deleted:    m/M4/M4-1.4.18.eb
	new file:   n/NVHPC/NVHPC-22.2.eb
	new file:   o/Octave/Octave-6.4.0-intel-2020b-without-X11.eb
	new file:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-22.2-CUDA-11.6.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0-v2.eb
	new file:   o/OpenMPI/OpenMPI-4.1.2-NVHPC-22.2-CUDA-11.6.0.eb
	new file:   o/OpenSSL/OpenSSL-1.1.eb
	new file:   p/Python/Python-3.9.6-GCCcore-11.2.0-NetKet.eb
	modified:   p/protobuf/protobuf-2.5.0.eb
	new file:   s/Singularity/Singularity-3.8.6.eb
	new file:   u/UCX/UCX-1.11.2-GCC-10.2.0-CUDA-11.6.0.eb
	new file:   u/UCX/UCX-1.11.2-NVHPC-22.2-CUDA-11.6.0.eb
	new file:   v/VTK/VTK-9.1.0-intel-2020b-Python-3.8.6.eb
	deleted:    z/zlib/zlib-1.2.11.eb
2022-03-04 13:15:08 +01:00
easybuild
536c92481f new file: a/aria2/aria2-1.35.0-GCCcore-10.3.0.eb
new file:   b/BLIS/BLIS-0.8.1_fix_dgemm-fpe-signalling-on-broadwell.patch
	new file:   b/BLIS/BLIS-2.2-GCCcore-10.2.0.eb
	new file:   b/BLIS/BLIS-2.2-amd_fix-undefined-reference-blist-abort.patch
	new file:   b/BLIS/BLIS-3.0.1-GCCcore-10.2.0.eb
	new file:   b/Biopython/Biopython-1.72-foss-2020b-Python-2.7.18.eb
	new file:   c/Cordax/Cordax-1.0-Python-2.7.18.eb
	new file:   d/DFTB+/DFTB+-21.2-intel-2020b-Python-3.8.6.eb
	new file:   d/DFTB+/DFTB+-21.2-intel-2020b-TB.eb
	new file:   d/Dakota/Dakota-6.15.0-fix_lapack_detection.patch
	new file:   d/Dakota/Dakota-6.15.0-foss-2021b.eb
	new file:   d/Dakota/Dakota-6.15.0-intel-2021b.eb
	new file:   e/ELPA/ELPA-2020.11.001-fosscuda-2020b.eb
	new file:   f/FoldX/FoldX-5.0.eb
	new file:   f/Forge/Forge-21.1.3.eb
	new file:   g/GROMACS/GROMACS-2018.8-fosscuda-2020b-PLUMED-2.5.6-switch.eb
	new file:   g/GROMACS/GROMACS-2021.4-foss-2020b-PLUMED-2.7.3.eb
	new file:   h/HDF5/HDF5-1.12.1-NVHPC-21.11.eb
	new file:   h/HDF5/HDF5-1.12.1-foss-2021b-parallel.eb
	new file:   h/HDF5/HDF5-1.12.1-iimpi-2021b.eb
	new file:   h/HDF5/HDF5-1.12.1-intel-2021b-parallel.eb
	new file:   h/HyperQueue/HyperQueue-0.8.0.eb
	new file:   h/Hypre/Hypre-2.23.0-intel-2020b.eb
	new file:   h/h5py/h5py-3.6.0-intel-2021b.eb
	new file:   l/LAPACK/LAPACK-3.10.0-GCC-11.2.0.eb
	new file:   l/libFLAME/libFLAME-5.2.0-GCCcore-10.2.0.eb
	new file:   m/MaSuRCA/MaSuRCA-4.0.7-foss-2020a-Perl-5.30.2.eb
	new file:   m/Molpro/Molpro-mpp-2022.1.1.linux_x86_64_mpipr.eb
	new file:   m/Molpro/Molpro-mpp-2022.1.1.linux_x86_64_sockets.eb
	new file:   n/nompi/nompi-2022a.eb
	new file:   o/ORCA/ORCA-5.0.3-OpenMPI-4.1.1.eb
	modified:   o/Octopus/Octopus-11.3-intel-2020b-mpi.eb
	new file:   o/OpenCV/OpenCV-4.5.3-foss-2021a-CUDA-11.3.1-contrib.eb
	new file:   o/OpenCV/OpenCV-4.5.5-foss-2021a-CUDA-11.4.1-contrib.eb
	new file:   o/OpenMPI/OpenMPI-4.1.1-GCC-11.2.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0-Java-1.8.0_221.eb
	new file:   o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0.eb
	modified:   p/PETSc/PETSc-3.14.4-intel-2020b.eb
	modified:   p/PLUMED/PLUMED-2.5.6-fosscuda-2020b-patch.eb
	new file:   p/PLUMED/PLUMED-2.5.6-fosscuda-2020b-switch.eb
	new file:   p/PLUMED/PLUMED-2.7.3-foss-2020b.eb
	modified:   p/phonopy/phonopy-2.12.0-conda.eb
	modified:   q/QMCPACK/QMCPACK-3.11.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QMCPACK/QMCPACK-3.12.0-intel-2021b-Python-3.9.6-lowopt.eb
	new file:   q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2021a.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.0-NVHPC-21.9.eb
	new file:   r/rocm-cuda2hip/rocm-cuda2hip-4.3.1-gcccuda-2020b.eb
	new file:   s/ScaLAPACK/ScaLAPACK-2.2-NVHPC-21.11.eb
	new file:   t/Tango/Tango.eb
	new file:   t/Tensorflow/TensorFlow-2.5.0-fosscuda-2020b.eb
	new file:   v/VASP/VASP-5.4.1-24Jun15-intel-2020b.eb
	new file:   w/Waltz/Waltz.eb
	new file:   y/Yambo/Yambo-5.0.4-intel-2020a.eb
2022-03-04 13:14:37 +01:00
Lukas Krupcik
4c3a9ecb83 Merge branch 'it4i-barbora' 2022-01-05 10:06:25 +01:00