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218 Commits

Author SHA1 Message Date
Pavel Holba
b59679ca18 new file: c/CRYSTAL/CRYSTAL-17-intel-2017d-1.0.2-MPPdistrib.eb 
new file:   c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2-i64_Pdistrib.eb
	new file:   c/CRYSTAL/CRYSTAL17-mpibin-Linux-ifort19_i64.patch
	modified:   g/GCCcore/GCCcore-6.3.0.eb
	new file:   i/icc/icc-2017.8.262-GCC-9.3.0-2.34.eb
	new file:   i/iccifort/iccifort-2017.8.262-GCC-9.3.0-2.34.eb
	new file:   i/ifort/ifort-2017.8.262-GCC-9.3.0-2.34.eb
	new file:   i/iimpi/iimpi-2017d.eb
	new file:   i/imkl/imkl-2017.4.239-iimpi-2017d.eb
	new file:   i/impi/impi-2017.4.239-iccifort-2017.8.262-GCC-9.3.0-2.34.eb
	new file:   i/intel/intel-2017d.eb
 2025-02-10 08:22:48 +01:00
Lukas Krupcik
fdd72d4f6f new file: b/Brotli/Brotli-1.1.0-GCCcore-14.2.0.eb 
new file:   e/Emacs/Emacs-29.4-GCCcore-12.2.0.eb
	new file:   e/Emacs/Emacs-29.4-GCCcore-14.2.0.eb
	new file:   f/fontconfig/fontconfig-2.15.0-GCCcore-14.2.0.eb
	new file:   f/freetype/freetype-2.13.2-GCCcore-14.2.0.eb
	new file:   g/GTK3/GTK3-3.24.42-GCCcore-14.2.0.eb
	new file:   g/gettext/gettext-0.22.5-GCCcore-14.2.0.eb
	new file:   g/gperf/gperf-3.1-GCCcore-14.2.0.eb
	new file:   i/intltool/intltool-0.51.0-GCCcore-14.2.0.eb
	new file:   j/jbigkit/jbigkit-2.1-GCCcore-14.2.0.eb
	new file:   l/LibTIFF/LibTIFF-4.7.0-GCCcore-14.2.0.eb
	new file:   l/libdeflate/libdeflate-1.20-GCCcore-14.2.0.eb
	new file:   l/libjpeg-turbo/libjpeg-turbo-3.0.1-GCCcore-14.2.0.eb
	new file:   l/libpng/libpng-1.6.45-GCCcore-14.2.0.eb
	new file:   n/NASM/NASM-2.16.03-GCCcore-14.2.0.eb
	new file:   p/Python/Python-3.13.1-GCCcore-12.2.0.eb
	new file:   u/util-linux/util-linux-2.40-GCCcore-14.2.0.eb
	new file:   x/X11/X11-20240607-GCCcore-14.2.0.eb
 2025-01-28 16:24:47 +01:00
Lukas Krupcik
58e312c77f new file: c/CMake/CMake-3.30.5-acfl-24.10.eb 
new file:   d/Doxygen/Doxygen-1.11.0-GCCcore-14.2.0.eb
	new file:   g/gompi/gompi-2024it4i.eb
	new file:   g/gzip/gzip-1.13-GCCcore-14.2.0.eb
	new file:   h/HDF5/HDF5-1.14.5-gompi-2024it4i.eb
	new file:   l/libiconv/libiconv-1.17-GCCcore-14.2.0.eb
	new file:   l/lz4/lz4-1.9.4-GCCcore-14.2.0.eb
	new file:   m/make/make-4.4.1-GCCcore-14.2.0.eb
	new file:   n/netCDF-Fortran/netCDF-Fortran-4.6.1-gompi-2024it4i.eb
	new file:   n/netCDF/netCDF-4.9.2-gompi-2024it4i.eb
	new file:   o/OpenBLAS/OpenBLAS-0.3.27-GCC-14.2.0.eb
	new file:   p/PRRTE/PRRTE-3.0.5-GCCcore-14.2.0.eb
	new file:   s/Szip/Szip-2.1.1-GCCcore-14.2.0.eb
	new file:   z/zstd/zstd-1.5.6-GCCcore-14.2.0.eb
 2024-10-21 13:49:55 +02:00
Lukas Krupcik
0993e12984 new file: c/CUDA/CUDA-12.6.0.eb 
new file:   g/GDRCopy/GDRCopy-2.1-GCCcore-10.2.0-CUDA-11.6.0.eb
	new file:   h/hwloc/hwloc-1.11.6-GCCcore-12.2.0.eb
	new file:   m/MVAPICH2/MVAPICH2-2.2-GCC-9.3.0.eb
	new file:   o/OpenMPI/OpenMPI-2.1.0-GCC-12.2.0.eb
	modified:   o/OpenMX/OpenMX-3.9-foss-2022b.eb
	modified:   u/UCX/UCX-1.12.0-GCC-10.2.0-CUDA-11.6.0.eb
 2024-08-19 10:30:48 +02:00
easybuild
52ca29cb49 fix 2024-07-25 12:02:26 +02:00
easybuild
3615ccafe1 fix 2024-07-25 11:57:13 +02:00
Lukas Krupcik
74a3ff0b80 new file: g/GObject-Introspection/GObject-Introspection-1.74.0-GCCcore-12.2.0-Python-3.10.8.eb 
modified:   g/GPAW/GPAW-23.9.1-intel-2022a.eb
	new file:   g/glibc/glibc-2.29-GCCcore-12.2.0.eb
	modified:   m/MRCC/MRCC-2023-08-intel-2021b.eb
	new file:   m/MRCC/mrcc.2023-08-28.tar.gz
	new file:   m/Meson/Meson-0.64.1-GCCcore-12.2.0-Python-3.10.8.eb
	new file:   n/NSS/NSS-3.57-GCCcore-10.2.0.eb
	new file:   o/OpenJPEG/OpenJPEG-2.5.0-GCCcore-12.2.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.6-NVHPC-23.5-CUDA-12.2.0.eb
	new file:   p/pkgconfig/pkgconfig-1.5.5-GCCcore-12.2.0-Python-3.10.8.eb
	new file:   p/pkgconfig/pkgconfig-1.8.0-GCCcore-10.2.0-Python-3.8.6.eb
	new file:   p/pkgconfig/pkgconfig-1.9.3-GCCcore-12.2.0-Python-3.10.8.eb
	new file:   p/poppler/poppler-0.90.1-GCCcore-10.2.0.eb
	new file:   p/poppler/poppler-0.90.1-GCCcore-12.2.0.eb
	modified:   p/poppler/poppler-21.06.1-GCC-10.2.0.eb
	modified:   q/Qt5/Qt5-5.14.2-GCCcore-10.2.0.eb
	new file:   t/texinfo/texinfo-6.7-GCCcore-10.2.0.eb
	new file:   t/texlive/texlive-20210325-GCCcore-10.2.0-test.eb
	new file:   t/texlive/texlive-20210325-GCCcore-10.2.0-v2.eb
	modified:   t/texlive/texlive-20210325-GCCcore-10.2.0.eb
	new file:   t/texlive/texlive-20210325-GCCcore-12.2.0.eb
 2024-07-25 10:27:03 +02:00
Lukas Krupcik
8606834dd1 new file: g/GPAW/GPAW-24.6.0-intel-2023a-ASE-3.23.0.eb 2024-07-12 07:19:06 +02:00
Lukas Krupcik
8a30a3c673 new file: a/Autoconf/Autoconf-2.69-foss-2022b.eb 
new file:   a/Autoconf/Autoconf-2.71-foss-2022b.eb
	new file:   a/Automake/Automake-1.15.eb
	new file:   a/Automake/Automake-1.16.eb
	new file:   a/Autotools/Autotools-20180311-foss-2022b.eb
	new file:   b/Boost/Boost-1.77.0-foss-2022b.eb
	new file:   c/CMake/CMake-3.20.1-foss-2022b.eb
	new file:   c/cURL/cURL-7.76.0-foss-2022b.eb
	new file:   f/Firefox/Firefox-127.0.1.eb
	modified:   f/Firefox/Firefox-44.0.2.eb
	new file:   g/GCC/GCC-13.2.0-foss-2022b.eb
	new file:   g/GCCcore/GCCcore-13.2.0-foss-2022b.eb
	modified:   g/GMP/GMP-6.1.2.eb
	new file:   h/HDF5/HDF5-1.14.0-iimpi-2023a.eb
	new file:   j/JupyterLab/JupyterLab-4.2.0-GCCcore-13.2.0.eb
	new file:   j/jupyter-server/jupyter-server-2.14.0-GCCcore-13.2.0.eb
	modified:   l/libffi/libffi-3.2.1.eb
	modified:   l/libreadline/libreadline-8.0.eb
	new file:   l/libxc/libxc-6.2.2-NVHPC-24.3-CUDA-12.3.0.eb
	new file:   n/ncurses/ncurses-6.2-foss-2022b.eb
	new file:   o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.10.8.eb
	new file:   o/OpenVDB/OpenVDB-11.0.0-foss-2022b-Python-3.9.9.eb
	new file:   o/OpenVDB/OpenVDB-11.0.0-foss-2022b.eb
	new file:   p/Python/Python-3.11.5-foss-2022b.eb
	new file:   p/Python/Python-3.9.9.eb
	modified:   s/SQLite/SQLite-3.27.2.eb
	modified:   t/Tcl/Tcl-8.6.9.eb
	new file:   t/TurboVNC/TurboVNC-3.1.1-GCCcore-13.2.0.eb
	new file:   z/zlib/zlib-1.2.10-foss-2022b.eb
	new file:   z/zlib/zlib-1.2.11-foss-2022b.eb
 2024-06-27 12:44:26 +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
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
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
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
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
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
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
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
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
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
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
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	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
98c14079bb new file: g/GROMACS/GROMACS-2022-foss-2020a-CUDA-12.0.0-constantph.eb 
new file:   g/GROMACS/GROMACS-2023.1-foss-2022a-CUDA-12.0.0.eb
	new file:   u/UCX-CUDA/UCX-CUDA-1.12.1-GCCcore-11.3.0-CUDA-12.0.0.eb
 2023-07-21 12:58:47 +02:00
Lukas Krupcik
afe7bf8bae new file: a/ADIOS2/ADIOS2-2.7.0-gompi-2020d.eb 
new file:   a/ANN/ANN-1.1.2-GCC-12.2.0.eb
	new file:   c/Cgicc/Cgicc-3.2.19-GCC-12.2.0.eb
	new file:   c/CoordgenLibs/CoordgenLibs-3.0.1-gompi-2022b.eb
	new file:   c/c-blosc/c-blosc-1.21.0-GCC-10.2.0.eb
	new file:   f/FastCGI/FastCGI-2.4.2-GCC-12.2.0.eb
	new file:   g/GDB/GDB-12.1-GCCcore-11.3.0.eb
	new file:   g/GDB/GDB-13.2-GCCcore-12.2.0.eb
	new file:   g/GMP/GMP-6.2.1.eb
	new file:   g/gompi/gompi-2020d.eb
	new file:   g/gperftools/gperftools-2.10-GCCcore-12.2.0.eb
	new file:   h/HDF5/HDF5-1.12.0-gompi-2020d.eb
	modified:   h/hwloc/hwloc-1.11.7-GCC-10.2.0.eb
	new file:   i/ISL/ISL-0.24-GCCcore-12.2.0.eb
	new file:   i/ISL/ISL-0.24.eb
	new file:   j/JsonCpp/JsonCpp-1.9.5-GCCcore-12.2.0.eb
	new file:   k/kim-api/kim-api-2.3.0-GCCcore-11.2.0.eb
	modified:   l/LAMMPS/LAMMPS-23Jun2022-foss-2021b-kokkos.eb
	new file:   l/LEMON/LEMON-1.3.1-GCC-12.2.0.eb
	new file:   m/MPC/MPC-1.2.1-GCCcore-12.2.0.eb
	new file:   m/MPC/MPC-1.2.1.eb
	new file:   m/MPFR/MPFR-4.1.0-GCCcore-12.2.0.eb
	new file:   m/maeparser/maeparser-1.3.0-gompi-2022b.eb
	new file:   m/makeinfo/makeinfo-6.8-GCCcore-12.2.0.eb
	new file:   o/OpenBabel/OpenBabel-3.1.1-gompi-2022b.eb
	new file:   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/openPMD-api/openPMD-api-0.14.4-gompi-2020d.eb
	new file:   p/PNGwriter/PNGwriter-0.7.0-GCC-10.2.0.eb
	new file:   s/SWIG/SWIG-4.0.2-GCCcore-12.2.0.eb
 2023-07-11 11:24:41 +02:00
Lukas Krupcik
a3ef551a85 new file: a/AOMP/AOMP-17.0-1-gcccuda-2022b.eb 
new file:   c/CGAL/CGAL-5.2.4-gompi-2022b.eb
	new file:   c/CGAL/CGAL-5.2.4-iimpi-2022b.eb
	new file:   g/gcccuda/gcccuda-2022b.eb
	new file:   g/glibc/glibc-2.37-GCCcore-12.2.0.eb
	new file:   h/HDF5/HDF5-1.14.0-iimpi-2022b.eb
	new file:   k/KaHIP/KaHIP-3.14-iimpi-2022b.eb
	new file:   n/netCDF/netCDF-4.9.0-iimpi-2022b.eb
	new file:   o/OpenFOAM/OpenFOAM-v2206-foss-2022a.eb
	new file:   o/OpenFOAM/OpenFOAM-v2212-cleanup.patch
	new file:   o/OpenFOAM/OpenFOAM-v2212-intel-2022b.eb
	new file:   o/OpenMPI/OpenMPI-4.1.4-GCC-11.3.0-CUDA-11.7.0.eb
	new file:   p/ParaView/ParaView-5.11.0-intel-2022b-mpi.eb
	new file:   p/pkg-config/pkg-config-0.29.2-GCCcore-12.2.0.eb
	new file:   s/SCOTCH/SCOTCH-7.0.3-gompi-2022b.eb
	new file:   s/SCOTCH/SCOTCH-7.0.3-iimpi-2022b.eb
	new file:   t/texinfo/texinfo-7.0.2-GCCcore-12.2.0.eb
 2023-05-04 14:18:28 +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
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
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
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
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
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
Lukas Krupcik
da23472aae new file: g/GROMACS/GROMACS-2020.3-foss-2020b-PLUMED-2.7.3.eb 
new file:   p/phonopy/phonopy-2.17.0-conda.eb
	modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-ntypx=32.eb
 2022-12-12 08:45:45 +01:00
Lukas Krupcik
1516682ddf modified: b/BoltzTraP2/BoltzTraP2-20.7.1-intel-2020b-Python-3.8.6.eb 
new file:   b/BoltzTraP2/BoltzTraP2-22.6.1-intel-2022a.eb
	modified:   g/grace/grace-5.1.25-gompi-2022a.eb
	new file:   n/netCDF/netCDF-4.9.0-iimpi-2022a.eb
	new file:   p/pyFFTW/pyFFTW-0.13.0-intel-2022a.eb
	modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-without-HDF5.eb
	new file:   v/VTK/VTK-9.2.2-intel-2022a.eb
 2022-10-27 10:50:56 +02:00
easybuild
8573cb01b6 modified: g/grace/grace-5.1.25-gompi-2022a.eb 2022-10-23 00:45:26 +02:00
Jakub Kropacek
fe65ef7ad3 Merge branch 'it4i-barbora' 2022-10-23 00:40:22 +02:00
easybuild
88a42ae0cd new file: g/grace/grace-5.1.25-gompi-2022a.eb 
modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
 2022-10-23 00:37:38 +02:00
Jakub Kropacek
5886a8a0d7 modified: g/GDRCopy/GDRCopy-2.3-NVHPC-21.9-CUDA-11.4.1.eb 2022-10-21 11:40:28 +02:00
easybuild
3c5f4f481e modified: g/grace/grace-5.1.25-intel-2020b.eb 2022-10-19 17:28:48 +02:00
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
f146dbdb02 new file: g/gh/gh-2.14.7.eb 
modified:   i/IMOD/IMOD-4.11.1-fosscuda-2020b.eb
	new file:   v/vaspkit/vaspkit-1.3.5-foss-2022a.eb
 2022-08-30 10:47:12 +02:00
Lukas Krupcik
5f3b84f8ff new file: a/ABCluster/ABCluster-3.1.eb 
modified:   b/Boost/Boost-1.77.0-GCC-10.2.0-Python-3.8.6.eb
	new file:   b/Boost/Boost-1.77.0-GCC-10.2.0-Python-3.8.6.eb.bak_20220801085422_29482
	new file:   c/CP2K/CP2K-2022.1-foss-2021a-CUDA-11.4.1.eb
	new file:   c/CP2K/CP2K-2022.1-fosscuda-2020b.eb
	new file:   f/fromage/fromage-1.1.0.eb
	modified:   g/glibc/glibc-2.19.eb
	new file:   g/glibc/glibc-2.29-GCCcore-10.2.0.eb
	modified:   g/glibc/glibc-2.30-GCCcore-10.2.0.eb
	new file:   i/iRODS/iRODS-0.7.3.eb
	modified:   p/pymatgen/pymatgen-2022.0.12-foss-2020b.eb
	new file:   s/sqsgenerator/sqsgenerator-0.2-foss-2020b-Python-3.8.6.eb
	deleted:    i/IRODS/IRODS-0.7.3.eb
 2022-08-01 10:38:12 +02:00
Lukas Krupcik
28d1706c8a new file: c/CheMPS2/CheMPS2-1.8.9-intel-2021a.eb 
new file:   g/GlobalArrays/GlobalArrays-5.8-intel-2021a.eb
	new file:   h/HDF5/HDF5-1.13.1-gompi-2022a.eb
	new file:   h/HDF5/HDF5-1.13.1-iimpi-2022a.eb
	new file:   o/OpenMolcas/OpenMolcas-22.06-intel-2021a.eb
	new file:   v/VASP/VASP-6.3.1-foss-2022a.eb
	modified:   v/VASP/VASP-6.3.1-intel-2021b.eb
	new file:   w/Wannier90/Wannier90-3.1.0-foss-2022a-serial.eb
	deleted:    v/VASP/VASP-6.3.1-intel-2021b-cluster-independent.patch
	deleted:    v/VASP/VASP-6.3.1-intel-2021b-mkl=sequential.eb
 2022-07-08 13:49:39 +02:00
Lukas Krupcik
8f3249aed2 modified: ARCHIVE/a/ALAMODE/ALAMODE-0.9.8-intel-2017a.eb 
modified:   ARCHIVE/a/ATK/ATK-2.18.0.eb
	modified:   ARCHIVE/a/ATLAS/ATLAS-3.10.2-GCC-5.4.0-2.26-LAPACK-3.6.1.eb
	modified:   ARCHIVE/a/ATLAS/ATLAS-3.10.3-GCC-5.4.0-2.26-LAPACK-3.6.1.eb
	modified:   ARCHIVE/a/ATLAS/ATLAS-3.10.3-GCC-6.3.0-2.27-LAPACK-3.6.1.eb
	modified:   ARCHIVE/a/Amber/Amber-16-iomkl-2016.07-AmberTools-16-patchlevel-5-14-serial.eb
	modified:   ARCHIVE/a/Amber/Amber-16-iomkl-2016.07-AmberTools-16-patchlevel-5-14.eb
	modified:   ARCHIVE/a/Amber/Amber-16-iomkl-2016.09-GCC-4.9.3-2.25-AmberTools-16-patchlevel-5-14-CUDA.eb
	modified:   ARCHIVE/a/AmberTools/AmberTools-15-intel-2015b-Python-2.7.11.eb
	modified:   ARCHIVE/a/AmberTools/AmberTools-16-intel-2015b-Python-2.7.11.eb
	modified:   ARCHIVE/b/BBMap/BBMap-35.82-foss-2015b-Java-1.8.0_66.eb
	modified:   ARCHIVE/b/BBMap/BBMap-35.82-foss-2015b-Java-1.8.0_74.eb
	modified:   ARCHIVE/b/Biopython/Biopython-1.61-goolf-1.4.10-Python-2.7.3.eb
	modified:   ARCHIVE/b/Biopython/Biopython-1.61-ictce-5.3.0-Python-2.7.3.eb
	modified:   ARCHIVE/b/Boost/Boost-1.49.0-goolf-1.5.16-Python-2.7.3.eb
	modified:   ARCHIVE/b/Boost/Boost-1.58.0-foss-2015g-Python-2.7.9.eb
	modified:   ARCHIVE/b/Boost/Boost-1.58.0-ictce-7.3.5-Python-2.7.9.eb
	modified:   ARCHIVE/b/Boost/Boost-1.58.0-intel-2015b-Python-2.7.9.eb
	modified:   ARCHIVE/b/Boost/Boost-1.60.0-CrayGNU-2016.03-Python-2.7.11.eb
	modified:   ARCHIVE/b/Boost/Boost-1.60.0-foss-2015g-Python-2.7.9.eb
	modified:   ARCHIVE/b/Boost/Boost-1.63.0-foss-2016a-Python-2.7.13.eb
	modified:   ARCHIVE/b/Boost/Boost-1.63.0-foss-2017a-Python-2.7.13.eb
	modified:   ARCHIVE/b/Boost/Boost-1.63.0-intel-2017a-Python-2.7.13.eb
	modified:   ARCHIVE/c/CFITSIO/CFITSIO-3.37-intel-2015a.eb
	modified:   ARCHIVE/c/CFITSIO/CFITSIO-3.38-foss-2016a.eb
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Lukas Krupcik
406655042b new file: a/Autoconf/Autoconf-2.71-GCCcore-10.3.0-test.eb 
new file:   a/Automake/Automake-1.16.3-GCCcore-10.3.0-test.eb
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	new file:   r/Rust/Rust-1.52.1-GCCcore-10.3.0-test.eb
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Jakub Kropacek
7f4ae57f87 new file: g/gnuplot/gnuplot-5.4.2-GCCcore-10.3.0.eb 
new file:   i/intel/intel-2020b.eb
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Jakub Kropacek
b33d8a7f34 modified: g/GROMACS/GROMACS-2022-fosscuda-2020b.eb 2022-05-05 20:39:38 +02:00
Lukas Krupcik
cbd3329146 modified: d/Dakota/Dakota-6.15.0-foss-2021b.eb 
modified:   d/Dakota/Dakota-6.15.0-intel-2021b.eb
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 2022-05-05 10:20:31 +02:00
Lukas Krupcik
732d939a3f Merge branch 'it4i-barbora' 2022-04-14 15:21:29 +02:00
Lukas Krupcik
626f262df7 modified: g/grace/grace-5.1.25-intel-2020b.eb 
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Lukas Krupcik
46ede8169c new file: a/apex/apex-20210420-fosscuda-2020b.eb 
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 2022-04-14 15:20:32 +02:00
Lukas Krupcik
d0fefdefde Merge branch 'it4i-barbora' 2022-03-07 10:59:47 +01:00
easybuild
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new file:   b/BEEF/BEEF-0.1.1-intel-2020b.eb
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	new file:   v/VTK/VTK-9.1.0-intel-2020b-Python-3.8.6.eb
	deleted:    z/zlib/zlib-1.2.11.eb
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