2511 Commits

Author SHA1 Message Date
Lukas Krupcik
606120daab new file: p/pysr/pysr-0.12.1-Python-3.10.8-GCCcore-12.2.0.eb 2023-04-12 09:23:37 +02:00
Lukas Krupcik
7fe7629124 new file: g/GROMACS/GROMACS-2022-foss-2020a-constantph.eb
new file:   j/Julia/Julia-1.8.5-linux-x86_64.eb
	new file:   n/NVSHMEM/NVSHMEM-2.8.0-gompi-2022a-CUDA-11.7.0-IBGDA.eb
	deleted:    g/GROMACS/GROMACS-2022-foss-2022a-constantph.eb
2023-04-12 09:23:26 +02:00
Lukas Krupcik
4e4aa4a239 Merge branch 'it4i-barbora' 2023-03-28 21:37:22 +02:00
Lukas Krupcik
addb02f8da Merge branch 'it4i-karolina' 2023-03-28 21:37:22 +02:00
Lukas Krupcik
47d28b6318 new file: f/FFTW.MPI/FFTW.MPI-3.3.10-iimpi-2022a.eb 2023-03-28 21:34:56 +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
b8a2eb09d0 Merge branch 'it4i-karolina' 2023-03-14 14:49:01 +01:00
Jakub Kropacek
9e732c4b08 modified: a/ANSYS/ANSYS-2022R2-intel-2022a.eb
new file:   a/ANSYS/ANSYS-2023R1-intel-2022a-test.eb
	modified:   a/ANSYS/ANSYS-2023R1-intel-2022a.eb
	new file:   a/ANSYS/ANSYS-21.2-intel-2020b-test.eb
	modified:   a/ANSYS/ANSYS-22.1-intel-2020b.eb
	modified:   a/ANSYS/ANSYS-22.2-intel-2020b-electronics.eb
	modified:   a/ANSYS/ANSYS-22.2-intel-2020b.eb
	deleted:    a/ANSYS/ANSYS-22.2-intel-2022a-test.eb
2023-03-14 14:48:27 +01:00
Jakub Kropacek
1d0642d524 Merge branch 'it4i-karolina' 2023-03-13 17:12:05 +01:00
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
31fd70556d Merge branch 'it4i-karolina' 2023-03-09 10:53:47 +01:00
easybuild
38f7ba240b new file: a/ANSYS/ANSYS-2022R2-intel-2022a.eb
new file:   h/Horovod/Horovod-0.27.0-foss-2021b-CUDA-11.4.1-TensorFlow-2.8.4.eb
	new file:   h/Horovod/Horovod-0.27.0-foss-2022a-CUDA-11.7.0-TensorFlow-2.10.1.eb
	new file:   t/TensorFlow/TensorFlow-2.8.4-foss-2021b-CUDA-11.4.1.eb
	deleted:    h/Horovod/Horovod-0.27.0-foss-2021a-CUDA-11.7.0-TensorFlow-2.10.1.eb
2023-03-09 10:53:14 +01:00
Jakub Kropacek
c6bcfeb32d Merge branch 'it4i-karolina' 2023-03-08 13:22:36 +01:00
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
	new file:   t/TensorFlow/TensorFlow-test.eb
	new file:   t/TensorFlow/Tensorflow-1.1.0-CUDA-7.5.18-Python-3.6.1.eb
	new file:   t/TensorFlow/Tensorflow-1.1.0-CUDA-8.0.44-Python-3.6.1.eb
	new file:   t/TensorFlow/Tensorflow-1.1.0-Python-3.6.1.eb
	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
11332aef74 Merge branch 'it4i-karolina' 2023-03-02 08:21:51 +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
37a2a621e2 Merge branch 'it4i-karolina' 2023-02-21 15:06:43 +01:00
Lukas Krupcik
386352acae new file: s/s5cmd/s5cmd-2.0.0-GCCcore-12.2.0-Python-3.10.8.eb
new file:   s/s5cmd/s5cmd-2.0.0.eb
2023-02-21 15:06:19 +01:00
Lukas Krupcik
ba0609afd8 Merge branch 'it4i-karolina' 2023-02-21 14:48:49 +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
8a38c7c737 Merge branch 'it4i-barbora' 2023-02-13 14:46:30 +01:00
Jakub Kropacek
25a983131c Merge branch 'it4i-karolina' 2023-02-13 14:46:30 +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
Jakub Kropacek
71e0883d17 new file: a/AMD-uProf/AMD-uProf-4.0.341.eb
new file:   s/STAR-CCM+/STAR-CCM+-17.06.008-r8.eb
	new file:   s/sysbench/sysbench-1.0.20-GCCcore-11.3.0.eb
2023-02-13 14:43:24 +01:00
Jakub Kropacek
4d691814aa Merge branch 'it4i-karolina' 2023-02-07 18:22:28 +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
805ce91c3d Merge branch 'it4i-karolina' 2023-02-07 13:43:23 +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
6004b194f5 Merge branch 'it4i-barbora' 2023-01-31 08:31:50 +01:00
Jakub Kropacek
4ca65aa878 Merge branch 'it4i-karolina' 2023-01-31 08:31:50 +01:00
Jakub Kropacek
365e7f98cf modified: i/impi/impi-2021.7.1-intel-compilers-2022.2.1.eb
new file:   o/OSU-Micro-Benchmarks/OSU-Micro-Benchmarks-6.2-iimpi-2022b.eb
2023-01-31 08:29:11 +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
Jakub Kropacek
df1e1b2cbc Merge branch 'it4i-karolina' 2023-01-26 10:40:18 +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
Jakub Kropacek
6d5f933075 Merge branch 'it4i-karolina' 2023-01-25 17:49:01 +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
Jakub Kropacek
9e05f5c97f Merge branch 'it4i-karolina' 2023-01-17 07:51:41 +01:00
Jakub Kropacek
f5901de193 modified: 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:   v/VASP/VASP-6.3.2-intel-2021b-adjust-makefile.patch
	new file:   v/VASP/VASP-6.3.2-intel-2021b.eb
2023-01-17 07:49:10 +01:00
Lukas Krupcik
806cb5dc58 Merge branch 'it4i-karolina' 2023-01-16 08:37:31 +01:00
Lukas Krupcik
1adf366a65 new file: a/apptainer/apptainer-1.1.5.eb
deleted:    t/Tensorflow/TensorFlow-2.9.1-foss-2022a-CUDA-11.7.0.eb
2023-01-16 08:35:51 +01:00
Jakub Kropacek
f878fd3cc3 Merge branch 'it4i-karolina' 2023-01-13 11:54:18 +01:00
easybuild
5306c74fc6 new file: x/XALT/XALT-2.10.45-eb.eb
deleted:    x/XALT/XALT-2.10.45-eb.cz
2023-01-13 11:54:01 +01:00
Jakub Kropacek
e35ce4a440 Merge branch 'it4i-karolina' 2023-01-13 11:51:08 +01:00
easybuild
b41f3dbc91 modified: h/hwloc/hwloc-2.8.0.eb
new file:   l/libevent/libevent-2.1.12.eb
	new file:   p/PMIx/PMIx-3.2.3.eb
	new file:   p/PMIx/PMIx-4.2.2.eb
	new file:   x/XALT/XALT-2.10.45-eb.cz
	new file:   z/zlib/zlib-1.2.12.eb
2023-01-13 11:50:39 +01:00
Jakub Kropacek
42fa8e5a62 Merge branch 'it4i-barbora' 2023-01-10 10:34:30 +01:00
Jakub Kropacek
7a9ea23342 Merge branch 'it4i-karolina' 2023-01-10 10:34:30 +01:00
Jakub Kropacek
527922e545 modified: g/GROMACS/GROMACS-2020.3-foss-2021a-PLUMED-2.7.2.eb 2023-01-10 10:32:13 +01:00
Jakub Kropacek
cbd8e2ffe7 new file: f/FPM/FPM-1.15.0-Ruby-3.0.3.eb
modified:   g/GROMACS/GROMACS-2020.3-foss-2021a-PLUMED-2.7.2.eb
	new file:   h/hwloc/hwloc-2.8.0.eb
	new file:   n/nano/nano-7.1-GCCcore-12.2.0.eb
	new file:   r/Ruby/Ruby-3.0.3.eb
2023-01-10 10:32:00 +01:00
Jakub Kropacek
5880bb370a Merge branch 'it4i-karolina' 2023-01-03 09:59:00 +01:00
Jakub Kropacek
863f26e6c1 new file: g/GROMACS/GROMACS-2020.3-foss-2021a-PLUMED-2.7.2.eb
new file:   o/OpenMolcas/OpenMolcas-22.06-increase_MxShll.patch
	new file:   o/OpenMolcas/OpenMolcas-22.06-intel-2022a.eb
	deleted:    g/GROMACS/GROMACS-2020.3-foss-2020b-PLUMED-2.7.3.eb
2023-01-03 09:56:49 +01:00