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Author SHA1 Message Date
Lukas Krupcik
d9f8152e16 Merge branch 'it4i-karolina' 2024-05-14 13:19:22 +02:00
Lukas Krupcik
0681bdeb1a new file: j/JUBE/JUBE-2.6.1.eb 2024-05-14 13:19:03 +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
290e55b9fc Merge branch 'it4i-karolina' 2024-05-09 12:57:29 +02:00
Lukas Krupcik
dad1367c05 modified: l/libevent/libevent-2.1.12.eb 
modified:   p/PETSc/PETSc-3.19.2-foss-2022b.eb
	modified:   p/Perl/Perl-5.34.1-GCCcore-11.3.0.eb
	modified:   p/Python/Python-3.11.3-GCCcore-12.3.0-test.eb
	modified:   p/Python/Python-3.11.5-GCCcore-13.2.0-Qiskit.eb
	modified:   p/Python/Python-3.11.5-GCCcore-13.2.0-TB2J.eb
	modified:   p/Python/Python-3.11.5-GCCcore-13.2.0.eb
	modified:   q/Qt6/Qt6-6.5.3-GCCcore-12.2.0.eb
	modified:   q/Qt6/Qt6-6.6.0-GCCcore-12.2.0.eb
	modified:   q/Qt6/Qt6-6.6.3-GCCcore-13.2.0.eb
 2024-05-09 12:57:04 +02:00
Lukas Krupcik
c9eaca96f0 Merge branch 'it4i-barbora' 2024-05-09 11:04:20 +02:00
Lukas Krupcik
db70306991 Merge branch 'it4i-karolina' 2024-05-09 11:04:20 +02:00
Lukas Krupcik
f29ec51d0a modified: p/PROJ_4/PROJ_4-4.9.2.eb 
new file:   p/Python/Python-3.11.5-GCCcore-13.2.0-Qiskit.eb
	new file:   q/Qiskit/Qiskit-1.0.2-foss-2021a.eb
	new file:   q/Quandl/Quandl-3.6.1-foss-2021a.eb
 2024-05-09 11:03:55 +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
5c387ba02c Merge branch 'it4i-karolina' 2024-04-05 12:37:16 +02:00
Lukas Krupcik
4fb035d1c7 modified: a/ANSYS/ANSYS-2023R1-intel-2022a-vut.eb 2024-04-05 12:36:47 +02:00
Lukas Krupcik
44cb2927fe Merge branch 'it4i-barbora' 2024-04-05 11:50:24 +02:00
Lukas Krupcik
2e26b01e4c new file: f/ffnvcodec/ffnvcodec-12.1.14.0.eb 
new file:   q/Qt6/Qt6-6.6.3-GCCcore-13.2.0.eb
	new file:   q/Qt6/Qt6-6.6.3_fix_OF-Gentoo.patch
 2024-04-05 11:49:49 +02:00
Lukas Krupcik
6de69e4813 Merge branch 'it4i-barbora' 2024-04-03 09:56:54 +02:00
Lukas Krupcik
5611af5a78 Merge branch 'it4i-karolina' 2024-04-03 09:56:54 +02:00
Lukas Krupcik
29b7f062b5 new file: m/Molpro/Molpro-mpp-2024.1.0.linux_x86_64_mpipr.eb 2024-04-03 09:56:28 +02:00
Lukas Krupcik
51c469f1a5 modified: a/ANSYS/ANSYS-2023R1-intel-2022a-vut.eb 
new file:   c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb
	new file:   s/STAR-CCM+/STAR-CCM+-18.06.006-r8.eb
 2024-04-03 09:56:15 +02:00
Lukas Krupcik
9057e350d5 Merge branch 'it4i-barbora' 2024-03-01 10:04:00 +01:00
Lukas Krupcik
2564096996 modified: r/rclone/rclone-1.65.2.eb 2024-03-01 10:03:48 +01:00
Lukas Krupcik
0ba0973e3e Merge branch 'it4i-karolina' 2024-03-01 09:57:02 +01:00
Lukas Krupcik
35cd72d13c new file: r/rclone/rclone-1.65.2.eb 2024-03-01 09:56:45 +01:00
Lukas Krupcik
1f621809c0 Merge branch 'it4i-barbora' 2024-03-01 09:54:06 +01:00
Lukas Krupcik
f6910a62f7 new file: s/s5cmd/s5cmd-2.2.2.eb 2024-03-01 09:53:46 +01:00
Lukas Krupcik
8108e7ecdd Merge branch 'it4i-karolina' 2024-02-23 08:43:49 +01:00
Lukas Krupcik
a8768ac9d5 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-karolina 2024-02-23 08:43:14 +01:00
Lukas Krupcik
d5b8c560f1 new file: g/GROMACS/GROMACS-2023.4-ORCA-5.0.1-OpenMPI-4.1.1-double-precision.eb 
new file:   g/GROMACS/GROMACS-2023.4-foss-2022a-CUDA-12.0.0-double-precision.eb
	new file:   g/GROMACS/GROMACS-2023.4-foss-2022a-CUDA-12.0.0.eb
	new file:   g/GROMACS/GROMACS-2023.4-foss-2022a-double-precision-test.eb
 2024-02-23 08:43:13 +01:00
Lukáš Krupčík
b35e4ea477 Merge branch 'master' into 'master' 
add Blender-4.0.2-GCCcore-12.2.0.eb

See merge request sccs/easyconfigs-it4i!44
 2024-02-23 08:42:50 +01:00
Milan Jaros
5605d4e85b add Blender-4.0.2-GCCcore-12.2.0.eb 2024-02-22 08:42:17 +01:00
Lukas Krupcik
481486f383 Merge branch 'it4i-karolina' 2024-02-14 12:25:23 +01:00
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
65193dff9c Merge branch 'it4i-dgx' 2024-01-30 08:09:39 +01:00
Lukas Krupcik
263b22a518 Merge branch 'it4i-karolina' 2024-01-30 08:09:39 +01:00
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
63932415da new file: s/Serenity/Serenity-1.6.0-foss-2022a.eb 
new file:   w/WRF-Sfire/WRF-Sfire-4.4-foss-2023b.eb
 2024-01-30 08:09:07 +01:00
Lukas Krupcik
7865640ea8 Merge branch 'it4i-karolina' 2024-01-19 10:52:42 +01:00
Lukas Krupcik
ccc930f340 new file: i/impi/impi-2021.10.0-intel-compilers-2023.2.1.eb 
modified:   i/impi/impi-2021.9.0-intel-compilers-2023.1.0.eb
 2024-01-19 10:52:06 +01:00
Lukas Krupcik
e9a29b89a7 Merge branch 'it4i-barbora' 2024-01-18 14:41:17 +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
5c648d8011 Merge branch 'it4i-karolina' 2024-01-18 10:45:54 +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
6ebf714350 Merge branch 'it4i-barbora' 2024-01-05 13:56:33 +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
e8f4d7dbcd Merge branch 'it4i-karolina' 2024-01-02 13:25:40 +01:00
Lukas Krupcik
a154c036b1 new file: x/XALT/XALT-3.0.1.eb 2024-01-02 13:23:37 +01:00
Lukas Krupcik
3b0f8540d5 Merge branch 'it4i-barbora' 2024-01-02 09:08:01 +01:00
Lukas Krupcik
dbb0a8b8fe Merge branch 'it4i-karolina' 2024-01-02 09:08:01 +01:00
Lukas Krupcik
629fdfe897 modified: a/ANSYS/ANSYS-2023R1-intel-2022a-vut.eb 
new file:   a/ANSYS/ANSYS-2023R2-intel-2022.12-vut.eb
 2024-01-02 09:05:51 +01:00
Lukas Krupcik
14b0bcc2a6 new file: c/cuTENSOR/cuTENSOR-2.0.0.7_cuda12-conda.eb 2024-01-02 09:05:34 +01:00
Lukas Krupcik
fe7b32f34f Merge branch 'it4i-karolina' 2023-11-29 11:53:16 +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