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122 Commits

Author SHA1 Message Date
Lukas Krupcik
f2dcff362b new file: c/cryptography/cryptography-42.0.8-GCCcore-13.3.0.eb 
new file:   f/flit/flit-3.9.0-GCCcore-13.3.0.eb
	new file:   f/fonttools/fonttools-4.53.1-GCCcore-13.3.0.eb
	new file:   h/HarfBuzz/HarfBuzz-9.0.0-GCCcore-13.3.0.eb
	new file:   n/NSS/NSS-3.104-GCCcore-13.3.0.eb
	new file:   p/Python-bundle-PyPI/Python-bundle-PyPI-2024.06-GCCcore-13.3.0.eb
	new file:   p/poetry/poetry-1.8.3-GCCcore-13.3.0.eb
	new file:   q/Qt6/Qt6-6.7.2-GCCcore-13.3.0.eb
	new file:   s/scikit-build/scikit-build-0.17.6-GCCcore-13.3.0.eb
	new file:   v/virtualenv/virtualenv-20.26.2-GCCcore-13.3.0.eb
 2025-03-25 07:54:35 +01:00
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
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
914c775b08 new file: b/Boost.Python-NumPy/Boost.Python-NumPy-1.83.0-gfbf-2023b.eb 
modified:   b/Boost/Boost-1.77.0-gompi-2021a.eb
	modified:   c/CMake/CMake-3.16.2.eb
	new file:   e/ELPA/ELPA-2019.11.001-intel-2021a.eb
	modified:   e/ELPA/ELPA-2023.11.001-intel-2023b.eb
	modified:   h/HDF5/HDF5-1.10.6-intel-2020a.eb
	modified:   i/IOTK/IOTK-1.2.2-intel-2020a.eb
	modified:   j/Java/Java-1.8.0_221.eb
	modified:   n/NVHPC/NVHPC-21.9.eb
	modified:   n/netCDF-Fortran/netCDF-Fortran-4.5.2-intel-2020a.eb
	modified:   n/netCDF/netCDF-4.7.3-intel-2020a.eb
	new file:   p/PETSc/PETSc-3.21.2-foss-2022b.eb
	new file:   p/petsc4py/petsc4py-3.21.2-foss-2022b.eb
	modified:   q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2020a-MaX.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.2-intel-2021a.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.3-intel-2021a.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.3.1-intel-2023b-gpu.eb
	new file:   s/SLEPc/SLEPc-3.21.1-foss-2022b.eb
	new file:   s/slepc4py/slepc4py-3.21.1-foss-2022b.eb
	new file:   s/sqsgenerator/sqsgenerator-0.3-conda.eb
	modified:   s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb
	new file:   y/Yambo/Yambo-5.2.3-intel-2020a.eb
 2024-06-12 11:09:38 +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
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
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
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
1bf443f20d deleted: "q/Qt6/\\" 2023-10-31 12:45:25 +01:00
Lukas Krupcik
98825a4611 Merge branch 'it4i-barbora' 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
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
8ce22eb486 new file: archive/OpenMPI/OpenMPI-1.10.1-GCC-4.9.3-2.25.eb 
new file:   archive/OpenMPI/OpenMPI-1.10.1-GNU-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.2-GCC-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.2-GCC-5.3.0-2.26.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.2-GCC-6.1.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.2-PGI-16.3-GCC-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.2-PGI-16.4-GCC-5.3.0-2.26.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.3-GCC-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.3-GCC-6.1.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.4-PGI-16.7-GCC-5.4.0-2.26.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.7-GCC-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27-noPBS.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27-uv.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.7-GCC-7.1.0-2.28.eb
	new file:   archive/OpenMPI/OpenMPI-1.10.7-PGI-18.5-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-1.6.5-GCC-4.8.3.eb
	new file:   archive/OpenMPI/OpenMPI-1.8.6-GCC-4.4.7-system.eb
	new file:   archive/OpenMPI/OpenMPI-1.8.6-GNU-4.4.7-system.eb
	new file:   archive/OpenMPI/OpenMPI-1.8.6-GNU-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.8.6-GNU-5.1.0-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.8.6-iccifort-2015.3.187-GNU-5.1.0-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.8.8-GNU-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.8.8-GNU-5.1.0-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-1.8.8-iccifort-2015.3.187-GNU-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-2.0.0-GCC-5.2.0.eb
	new file:   archive/OpenMPI/OpenMPI-2.0.1-GCC-6.2.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.0.1-gcccuda-2016.10.eb
	new file:   archive/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb
	new file:   archive/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.0.1.eb
	new file:   archive/OpenMPI/OpenMPI-2.0.2-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.0-GCC-4.9.3-2.25.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.0-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-6.3.0-2.27-uv.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-7.1.0-2.28.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.1-c7.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.5-GCC-6.3.0-2.27-noPBS.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.5-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.5-GCC-8.3.0-2.32.eb
	new file:   archive/OpenMPI/OpenMPI-2.1.5-GCC-9.1.0-2.32.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.0-GCC-6.3.0-2.27-uv.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.0-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.0-GCC-7.2.0-2.29.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.1-GCC-6.3.0-2.27-nvidia-RHEL6.eb
	new file:   archive/OpenMPI/OpenMPI-3.0.1-GCC-6.3.0-2.27-nvidia.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.3-GCC-8.2.0-2.31.1.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.3-GCCcore-8.3.0.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.3-PGI-19.4-GCC-8.2.0-2.31.1.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27-noPBS.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27-nvidia.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.4-PGI-19.7-GCC-8.2.0-2.31.1.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.5-GCCcore-8.3.0.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.5.eb
	new file:   archive/OpenMPI/OpenMPI-3.1.6-GCCcore-8.3.0-noPBS.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.0-GCC-6.3.0-2.27-noPBS.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.0-GCC-6.3.0-2.27.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.2-GCC-8.3.0-2.32.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.3-GCC-9.3.0.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.4-GCC-8.3.0-2.32-CUDA.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.4-GCC-9.3.0-without-verbs.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.4-GCC-9.3.0.eb
	new file:   archive/OpenMPI/OpenMPI-4.0.4-GCCcore-8.3.0.eb
	new file:   b/BLIS/BLIS-3.1-GCCcore-12.2.0-amd.eb
	new file:   f/FFTW.MPI/FFTW.MPI-3.3.10-NVHPC-23.5-CUDA-12.2.0.eb
	modified:   f/FFTW/FFTW-3.3.10-NVHPC-23.5-CUDA-12.2.0.eb
	new file:   h/HDF5/HDF5-1.14.0-NVHPC-23.5.eb
	new file:   l/libFLAME/libFLAME-5.2.0-GCCcore-12.2.0.eb
	new file:   n/NCCL/NCCL-2.12.12--CUDA-12.2.0.eb
	new file:   n/NCCL/NCCL-2.16.2-GCCcore-12.2.0-CUDA-12.0.0.eb
	modified:   n/NCCL/NCCL-2.16.2-GCCcore-12.2.0-CUDA-12.2.0.eb
	new file:   n/NCCL/NCCL-2.18.3-CUDA-12.2.0.eb
	new file:   n/NCCL/NCCL-2.18.3-GCCcore-12.2.0-CUDA-12.2.0.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
	modified:   o/OpenMPI/OpenMPI-3.1.6-GCCcore-8.3.0.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
	modified:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-test.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-CUDA-11.3.0.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-4.0.5-iccifort-2020.4.304.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-21.11-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-v2.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-4.0.7-NVHPC-21.9-CUDA-11.4.1.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-AOCC-3.1.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-AOCL-3.0.1-AOCC-3.1.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0-Java-1.8.0_221.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0-test.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.1-GCC-11.2.0.eb
	modified:   o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0-Java-1.8.0_221.eb
	modified:   o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0.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
	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-GCC-12.3.0.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-test.eb
	modified:   o/OpenMPI/OpenMPI-4.1.5-NVHPC-23.5-CUDA-12.2.0.eb
	new file:   q/QD/QD-2.3.17-NVHPC-23.5.eb
	new file:   s/ScaLAPACK/ScaLAPACK-3.0-NVHPC-23.5-CUDA-12.2.0.eb
	modified:   u/UCC-CUDA/UCC-CUDA-1.1.0-GCCcore-12.2.0-CUDA-12.2.0.eb
	new file:   v/VASP/VASP-6.4.2-NVHPC-23.5-CUDA-12.2.0-adjust-makefile.patch
	new file:   v/VASP/VASP-6.4.2-NVHPC-23.5-CUDA-12.2.0.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.1-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.1-GNU-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-GCC-5.3.0-2.26.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-GCC-6.1.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-PGI-16.3-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.2-PGI-16.4-GCC-5.3.0-2.26.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.3-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.3-GCC-6.1.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.4-PGI-16.7-GCC-5.4.0-2.26.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27-uv.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-GCC-7.1.0-2.28.eb
	deleted:    o/OpenMPI/OpenMPI-1.10.7-PGI-18.5-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-1.6.5-GCC-4.8.3.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-GCC-4.4.7-system.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-GNU-4.4.7-system.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-GNU-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-GNU-5.1.0-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.6-iccifort-2015.3.187-GNU-5.1.0-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.8-GNU-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.8-GNU-5.1.0-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-1.8.8-iccifort-2015.3.187-GNU-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.0-GCC-5.2.0.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1-GCC-6.2.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1-gcccuda-2016.10.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.1.eb
	deleted:    o/OpenMPI/OpenMPI-2.0.2-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.0-GCC-4.9.3-2.25.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.0-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-6.3.0-2.27-uv.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-7.1.0-2.28.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.1-c7.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.5-GCC-6.3.0-2.27-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.5-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.5-GCC-8.3.0-2.32.eb
	deleted:    o/OpenMPI/OpenMPI-2.1.5-GCC-9.1.0-2.32.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.0-GCC-6.3.0-2.27-uv.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.0-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.0-GCC-7.2.0-2.29.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.1-GCC-6.3.0-2.27-nvidia-RHEL6.eb
	deleted:    o/OpenMPI/OpenMPI-3.0.1-GCC-6.3.0-2.27-nvidia.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.3-GCC-8.2.0-2.31.1.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.3-GCCcore-8.3.0.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.3-PGI-19.4-GCC-8.2.0-2.31.1.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27-nvidia.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.4-PGI-19.7-GCC-8.2.0-2.31.1.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.5-GCCcore-8.3.0.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.5.eb
	deleted:    o/OpenMPI/OpenMPI-3.1.6-GCCcore-8.3.0-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.0-GCC-6.3.0-2.27-noPBS.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.0-GCC-6.3.0-2.27.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.2-GCC-8.3.0-2.32.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.3-GCC-9.3.0.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.4-GCC-8.3.0-2.32-CUDA.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.4-GCC-9.3.0-without-verbs.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.4-GCC-9.3.0.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.4-GCCcore-8.3.0.eb
 2023-08-17 14:22:00 +02:00
Lukas Krupcik
148ec5b159 modified: q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-thermo_pw-GPU.eb 2023-04-24 14:10:55 +02:00
Lukas Krupcik
73860e9992 new file: l/libxc/libxc-5.1.2-intel-2022a.eb 
modified:   o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb
	new file:   o/OpenMPI/OpenMPI-4.1.4-NVHPC-22.7-CUDA-11.7.0.eb.1
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-thermo_pw-GPU.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-thermo_pw.eb
	modified:   w/WIEN2k/WIEN2k-23.2-intel-2022a.eb
 2023-04-24 13:48:23 +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
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
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
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
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
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
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
Lukas Krupcik
4946a197f0 modified: e/Eigen/Eigen-3.3.7.eb 
new file:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-test.eb
	new file:   q/Qiskit/Qiskit-0.39.4-foss-2021a.eb
	deleted:    o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0.eb
 2023-01-02 08:10:16 +01:00
Lukas Krupcik
600adaf0fa Merge branch 'it4i-barbora' 2022-12-12 08:47:03 +01:00
Lukas Krupcik
6b3471d969 merge master 2022-12-12 08:46:01 +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
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easybuild
afb734df1a new file: q/QuantumESPRESSO/QuantumESPRESSO-7.1-custom-ntypx.patch 
new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-ntypx=32.eb
 2022-12-01 14:37:41 +01:00
easybuild
603ffe2bc2 deleted: q/QuantumESPRESSO/input_tmp.in 2022-11-14 13:09:24 +01:00
Lukas Krupcik
8235d74527 merge master 2022-10-27 10:51:48 +02:00
Lukas Krupcik
83c5430f4e modified: g/grace/grace-5.1.25-gompi-2022a.eb 
modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
	new file:   q/QuantumESPRESSO/input_tmp.in
 2022-10-27 10:51:06 +02:00
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
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Jakub Kropacek
fe65ef7ad3 Merge branch 'it4i-barbora' 2022-10-23 00:40:22 +02:00
easybuild
f00977f8fc new file: m/motif/motif-2.3.8-GCCcore-11.3.0.eb 
modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
	modified:   u/UCX/UCX-1.11.2-NVHPC-21.9-CUDA-11.4.1.eb
 2022-10-23 00:37:48 +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
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easybuild
f2af562304 modified: f/FFTW/FFTW-3.3.10-NVHPC-21.9.eb 
new file:   h/HDF5/HDF5-1.12.1-NVHPC-21.9.eb
	new file:   l/libxc/libxc-6.0.0-NVHPC-21.9.eb
	modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
 2022-10-19 17:28:39 +02:00
Lukas Krupcik
76fb57ddde new file: f/FFTW/FFTW-3.3.8-NVHPC-21.9.eb 
new file:   o/OpenMPI/OpenMPI-4.0.7-NVHPC-21.9-CUDA-11.4.1.eb
	new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
 2022-10-18 09:29:38 +02:00
Jakub Kropacek
1149e65a51 new file: c/CP2K/CP2K-2022.1-foss-2022a.eb 
new file:   c/ctffind/ctffind-4.1.14-foss-2021a.eb
	new file:   f/FFTW.MPI/FFTW.MPI-3.3.8-NVHPC-22.2.eb
	modified:   f/FFTW/FFTW-3.3.10-NVHPC-22.2-amd.eb
	new file:   f/FFTW/FFTW-3.3.8-NVHPC-22.2-amd.eb
	new file:   f/FFTW/FFTW-3.3.8-NVHPC-22.2.eb
	modified:   h/HDF5/HDF5-1.12.1-NVHPC-22.2.eb
	new file:   h/HDF5/HDF5-1.12.2-gompi-2022a.eb
	new file:   h/HDF5/HDF5-1.12.2-iimpi-2022a.eb
	new file:   l/libxsmm/libxsmm-1.17-GCC-11.3.0.eb
	new file:   p/PLUMED/PLUMED-2.8.0-foss-2022a.eb
	new file:   q/QD/QD-2.3.17-NVHPC-22.2.eb
	modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-foss-2022a.eb
	modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a.eb
	new file:   r/RELION/RELION-4.0-beta-foss-2021a.eb
	new file:   s/ScaLAPACK/ScaLAPACK-3.0-NVHPC-22.2.eb
	new file:   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:   x/xxd/xxd-8.2.4220-GCCcore-11.3.0.eb
	deleted:    f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2022a.eb
	deleted:    h/HDF5/HDF5-1.13.1-gompi-2022a.eb
	deleted:    h/HDF5/HDF5-1.13.1-iimpi-2022a.eb
 2022-09-05 18:21:49 +02:00
Jakub Kropacek
3ffe30b13e new file: q/QuantumESPRESSO/QuantumESPRESSO-7.1-foss-2022a.eb 
new file:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a.eb
 2022-07-11 10:45:10 +02:00
Jakub Kropacek
a4dfbf4d66 modified: q/QtiPlot/qtiplot-1.0.0.eb 2022-06-22 09:43:07 +02:00
Jakub Kropacek
cbff5782f9 new file: q/Qt5/Qt5-5.15.2-GCCcore-11.2.0.eb 2022-06-03 10:26:23 +02:00
Lukas Krupcik
5d8c6e1517 new file: k/Kerberos/Kerberos-1.20.eb 
modified:   q/Qt5/Qt5-5.15.2-GCCcore-10.3.0.eb
 2022-06-02 13:22:50 +02:00
Jakub Kropacek
71db71fa0c modified: o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb 
new file:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb.orig_20220602101917_508724
	modified:   q/Qt5/Qt5-5.15.2-GCCcore-10.3.0.eb
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easybuild
9b8f1b6eae new file: p/PyQt5/PyQt5-5.15.4-GCCcore-11.2.0.eb 
new file:   q/Qt5/Qt5-5.15.2-GCCcore-10.3.0.eb
 2022-06-01 13:09:30 +02:00
Jakub Kropacek
95aae5ad97 Merge branch 'it4i-barbora' 2022-05-13 14:28:01 +02:00
Jakub Kropacek
af3e8a8add modified: q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb 
modified:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb
 2022-05-13 14:27:46 +02:00
Jakub Kropacek
34e002296b new file: o/OpenSSL/OpenSSL-1.1-test.eb 
new file:   q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5-complex.eb
	new file:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-complex.eb
 2022-05-13 14:27:36 +02:00
Jakub Kropacek
dd1c2bd97b modified: q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb 
modified:   q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6.eb
	deleted:    q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-test.eb
 2022-05-12 13:17:01 +02:00
Jakub Kropacek
b19d614747 modified: q/QMCPACK/QMCPACK-3.14.0-intel-2020b-Python-3.8.6-test.eb 
new file:   x/XALT/XALT-2.10.37.eb
	deleted:    x/XALT/XALT-2.10.36.eb
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