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275 Commits

Author SHA1 Message Date
Lukas Krupcik
992a427a36 new file: a/AOCC/AOCC-2.1.0-GCCcore-10.2.0.eb 
new file:   a/AOCL/AOCL-2.1-GCCcore-10.2.0.eb
	new file:   a/AOCL/AOCL-2.2-4-GCCcore-10.2.0.eb
	new file:   g/glibc/glibc-2.30-GCCcore-10.2.0.eb
	new file:   m/make/make-4.2.1-GCCcore-10.2.0.eb
	new file:   o/OpenCoarrays/OpenCoarrays-2.9.2-gompi-2020b.eb
	new file:   o/OpenMPI/OpenMPI-4.1.1-AOCC-3.1.0.eb
	new file:   p/PETSc/PETSc-3.14.4-intel-2020b.eb
	new file:   r/R/R-4.1.0-foss-2021a.eb
 2021-09-27 08:35:13 +02:00
Lukas Krupcik
e40aef1f8c Merge branch 'it4i-barbora' 2021-09-21 15:46:41 +02:00
Lukas Krupcik
48986b4362 new file: a/ABINIT/ABINIT-9.4.2-intel-2020b.eb 
new file:   m/MPI_NET/MPI_NET-1.3.0-intel-2020b.eb
	new file:   m/Mono/Mono-6.12.0.122.eb
	new file:   m/mpi4py/mpi4py-3.1.1-gompi-2020b-Python-3.8.6.eb
	new file:   m/mpi4py/mpi4py-3.1.1-intel-2020b-Python-3.8.6.eb
	new file:   p/phono3py/phono3py-2.0.0-intel-2020a-Python-3.8.2.eb
	new file:   p/phonopy/phonopy-2.11.0-intel-2020a-Python-3.8.2.eb
	deleted:    p/pkgconfig/pkgconfig-1.5.1-GCCcore-10.2.0-python.eb
 2021-09-21 15:42:24 +02:00
Jakub Kropacek
a7f39be5fe merge master 2021-09-14 09:55:10 +02:00
Jakub Kropacek
9531391bd8 new file: c/CMake/CMake-3.21.2-GCCcore-9.3.0.eb 
new file:   p/pymatgen/pymatgen-2022.0.12-foss-2020b.eb
	new file:   q/QMCPACK/QMCPACK-3.11.0-intel-2020a-Python-3.8.2.eb
 2021-09-14 09:53:41 +02:00
Jakub Kropacek
21b441f484 new file: c/CheMPS2/CheMPS2-1.8.9-intel-2020b.eb 
new file:   f/FFTW/FFTW-3.3.8-iccifort-2020.4.304.eb
	new file:   g/GSL/GSL-2.6-iccifort-2020.4.304.eb
	new file:   g/GlobalArrays/GlobalArrays-5.8-intel-2020b.eb
	new file:   h/hipify-clang/hipify-clang-4.2.0-gcccuda-2020b.eb
	new file:   n/NWChem/NWChem-7.0.2-intel-2020a-Python-3.8.2-karolina.eb
	modified:   n/NWChem/NWChem-7.0.2-intel-2020a-Python-3.8.2.eb
	new file:   o/OpenMolcas/OpenMolcas-21.06-intel-2020b-Python-3.8.6.eb
	new file:   p/pymatgen/pymatgen-2022.0.12-foss-2020b.eb
	new file:   q/QMCPACK/QMCPACK-3.11.0-intel-2020a-Python-3.8.2.eb
	new file:   v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-VASPsol-karolina.eb
 2021-09-14 09:53:23 +02:00
Lukas Krupcik
8db463ed41 new file: c/CGAL/CGAL-5.2-gompi-2020b.eb 
new file:   c/CGAL/CGAL-5.2-iimpi-2020b.eb
	new file:   g/gnuplot/gnuplot-5.4.1-GCCcore-10.2.0.eb
	new file:   h/HDF5/HDF5-1.10.7-iimpi-2020b.eb
	new file:   m/Mako/Mako-1.1.3-GCCcore-10.2.0.eb
	modified:   o/OpenFOAM/OpenFOAM-v2106-foss-2020b.eb
	new file:   o/OpenFOAM/OpenFOAM-v2106-intel-2020b.eb
	new file:   p/ParaView/ParaView-5.9.1-intel-2020b-mpi.eb
	new file:   q/Qt5/Qt5-5.14.2-GCCcore-10.2.0.eb
	new file:   s/SciPy-bundle/SciPy-bundle-2020.11-intel-2020b.eb
	modified:   s/SciPy-bundle/SciPy-bundle-2021.05-intel-2020b.eb
 2021-08-31 14:20:56 +02:00
Lukas Krupcik
8cca1bdab6 new file: g/GDAL/GDAL-3.2.1-foss-2020b.eb 
new file:   o/OpenFOAM/OpenFOAM-v2106-foss-2020b.eb
	new file:   p/ParaView/ParaView-5.9.1-foss-2020b-mpi.eb
	deleted:    o/OpenFOAM/OpenFOAM-v2106-foss-2021a.eb
 2021-08-27 10:46:35 +02:00
Lukas Krupcik
7e2251527c new file: p/Py/Py-3.8-opr0019.eb 
new file:   p/pyparsing/pyparsing-2.2.0-Py-3.8.eb
 2021-08-26 09:39:30 +02:00
Lukas Krupcik
123e29051e modified: a/AOCL/AOCL-3.0-6-GCCcore-10.2.0.eb 
new file:   e/ELSI/ELSI-2.5.0-intel-2020b.eb
	new file:   f/FFTW/FFTW-3.3.8-gompi-2020a-amd.eb
	new file:   l/libGridXC/libGridXC-0.8.5-iimpi-2020b.eb
	new file:   l/libPSML/libPSML-1.1.8-iccifort-2020.4.304.eb
	new file:   l/libxc/libxc-4.3.4-intel-2020b.eb
	new file:   p/PETSc/PETSc-3.12.4-intel-2020b.eb
	new file:   s/SLEPc/SLEPc-3.13.3-intel-2020a-Python-3.8.6.eb
	new file:   s/Siesta/Siesta-4.1-Max-1.2.0-intel-2020b.eb
	new file:   s/Siesta/Siesta-4.1-b5-intel-2020b-test.eb
	new file:   t/TotalView/TotalView-2021.2.14.eb
	new file:   x/xmlf90/xmlf90-1.5.4-iccifort-2020.4.304.eb
 2021-08-16 08:54:09 +02:00
Lukas Krupcik
f855b5a83b new file: c/CMake/CMake-3.20.1.eb 
new file:   c/cURL/cURL-7.76.0.eb
	new file:   e/expat/expat-2.2.9.eb
	new file:   f/fontconfig/fontconfig-2.13.93.eb
	new file:   f/freetype/freetype-2.10.4.eb
	modified:   g/gnuplot/gnuplot-5.2.3.eb
	modified:   g/gnuplot/gnuplot-5.2.8.eb
	new file:   h/HDF5/HDF5-1.10.6-foss-2020b-parallel.eb
	new file:   h/HDF5/HDF5-1.10.6-intel-2020b-parallel.eb
	new file:   i/iomkl/iomkl-2020b.eb
	new file:   l/libarchive/libarchive-3.5.1.eb
	new file:   l/libgd/libgd-2.3.1.eb
	new file:   l/libjpeg-turbo/libjpeg-turbo-2.0.6.eb
	modified:   l/libsndfile/libsndfile-1.0.28.eb
	modified:   m/mkl/mkl-2020.0.166.eb
	new file:   m/mkl/mkl-2020.4.304.eb
	new file:   n/NASM/NASM-2.15.05.eb
	new file:   o/Octave/Octave-6.3.0-intel-2020b-without-X11.eb
	new file:   p/ParMETIS/ParMETIS-4.0.3-foss-2020b.eb
	new file:   p/ParMETIS/ParMETIS-4.0.3-intel-2020b.eb
	new file:   u/util-linux/util-linux-2.36.eb
	modified:   v/VASP/VASP-6.2.1-intel-2020b-mkl=sequential-karolina.eb
	new file:   v/VirtualGL/VirtualGL-2.6.5-GCC-10.3.0.eb
	new file:   x/XZ/XZ-5.2.5.eb
 2021-08-09 08:31:13 +02:00
easybuild
9dde6530b9 add karolina 2021-07-02 11:52:11 +02:00
Lukáš Krupčík
437d2b2cdd new file: a/Anaconda3/Anaconda3-2020.11.eb 
new file:   a/Automake/Automake-1.16.2-GCCcore-9.3.0.eb
	new file:   a/Autotools/Autotools-20200321-GCCcore-9.3.0.eb
	new file:   l/libevent/libevent-2.1.12-GCCcore-9.3.0.eb
	new file:   n/NVHPC/NVHPC-21.2-OpenMPI-4.0.5.eb
	new file:   n/NVHPC/NVHPC-21.2.eb
	new file:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-Java-13.0.1.eb
	new file:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2.eb
	new file:   p/phono3py/phono3py-1.22.2-conda.eb
	new file:   u/UCX/UCX-1.9.0-GCCcore-9.3.0.eb
 2021-03-18 08:07:12 +01:00
Lukas Krupcik
35c211a68e new file: g/Graphviz/Graphviz-2.44.1-GCCcore-9.3.0-Java-11-Python-3.8.2.eb 
new file:   g/Graphviz/Graphviz-2.44.1-GCCcore-9.3.0-Java-11.eb
	new file:   h/h5py/h5py-2.9.0-GCC-9.3.0-Python-3.8.6.eb
	new file:   h/h5py/h5py-3.1.0-intel-2020a-Python-3.8.6.eb
	new file:   m/mpi4py/mpi4py-3.0.1-intel-2020a-Python-3.8.6.eb
	new file:   p/PyQt5/PyQt5-5.13.1-GCC-9.3.0-Python-3.8.6.eb
	new file:   p/PyQt5/PyQt5-5.14.1-GCC-9.3.0-Python-3.8.6.eb
	new file:   p/PyQt5/PyQt5-5.15.1-GCCcore-9.3.0-Python-3.8.2.eb
	new file:   p/PyQt5/PyQt5-5.15.1-GCCcore-9.3.0.eb
	new file:   p/pkgconfig/pkgconfig-1.5.1-GCCcore-9.3.0-Python-3.8.6.eb
	new file:   p/pybind11/pybind11-2.4.3-GCCcore-9.3.0-Python-3.8.6.eb
	new file:   s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020a-Python-3.8.6.eb
 2021-03-03 12:50:06 +01:00
Lukáš Krupčík
4ea35d4726 new file: m/Molpro/Molpro-mpp-2020.2.1.linux_x86_64_openmp.eb 
new file:   p/pigz/pigz-2.6-GCC-10.2.0.eb
	modified:   v/VisIt/VisIt-2.10.0.eb
	new file:   v/VisIt/VisIt-3.1.0.eb
	deleted:    m/Molpro/Molpro-mpp-2020.2.linux_x86_64_openmp.eb
 2021-02-22 12:06:03 +01:00
Lukáš Krupčík
e763df4c4a new file: a/ASE/ASE-3.21.1-Py-3.7.eb 
new file:   a/ASE/ASE-3.21.1-intel-2020a.eb
	new file:   c/CMake/CMake-3.18.4-GCCcore-9.3.0.eb
	new file:   c/cURL/cURL-7.72.0-GCCcore-9.3.0.eb
	new file:   e/Eigen/Eigen-3.3.8-GCCcore-9.3.0.eb
	new file:   f/freetype/freetype-2.10.3-GCCcore-9.3.0.eb
	new file:   g/GPAW-setups/GPAW-setups-0.9.20000.eb
	new file:   g/GPAW/GPAW-21.1.0-intel-2020a-ASE-3.21.1.eb
	new file:   g/GPAW/GPAW-21.1.0-intel-2020a-Py-3.7.eb
	new file:   h/hypothesis/hypothesis-5.41.2-GCCcore-9.3.0.eb
	new file:   i/iccifort/iccifort-2020.4.304.eb
	new file:   l/libarchive/libarchive-3.4.3-GCCcore-9.3.0.eb
	new file:   l/libjpeg-turbo/libjpeg-turbo-2.0.5-GCCcore-9.3.0.eb
	new file:   m/matplotlib/matplotlib-3.3.3-intel-2020a.eb
	new file:   n/NASM/NASM-2.15.05-GCCcore-9.3.0.eb
	new file:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0.eb
	new file:   p/Pillow/Pillow-8.0.1-GCCcore-9.3.0.eb
	new file:   p/Python/Python-3.8.6-GCCcore-9.3.0.eb
	new file:   p/pybind11/pybind11-2.6.0-GCCcore-9.3.0.eb
	new file:   s/SQLite/SQLite-3.33.0-GCCcore-9.3.0.eb
	new file:   s/SciPy-bundle/SciPy-bundle-2020.11-intel-2020a.eb
	new file:   s/spglib-python/spglib-python-1.16.0-intel-2020a.eb
	new file:   t/Tkinter/Tkinter-3.8.6-GCCcore-9.3.0.eb
 2021-02-10 11:53:17 +01:00
Lukáš Krupčík
861395339f new file: p/ParMETIS/ParMETIS-4.0.3-gompi-2020a.eb 2021-02-04 09:59:21 +01:00
Lukáš Krupčík
49d03a39bd modified: b/Boost/Boost-1.63.0-intel-2017a-Python-2.7.13.eb 
modified:   o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-6.3.0-2.27.eb
	modified:   p/Python/Python-2.7.11-intel-2017a.eb
	deleted:    c/CP2K/CP2K-7.1-intel-2020a.eb
 2021-01-05 12:24:36 +01:00
Lukáš Krupčík
3ffb02caaa Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-barbora 2020-11-19 10:22:51 +01:00
Lukáš Krupčík
45f0bb0afb modified: p/PGI/PGI-20.1-GCC-8.3.0-2.32-CUDA.eb 2020-11-19 10:22:50 +01:00
Lukáš Krupčík
e1962311cf modified: p/PGI/PGI-20.1-GCC-8.3.0-2.32.eb 2020-11-19 09:28:11 +01:00
Lukáš Krupčík
daed77b5c8 new file: a/AtsPy/AtsPy-0.2.8-Python-3.6.9-GCC-8.3.0-2.32-CUDA-10.0.130.eb 
new file:   a/AtsPy/AtsPy-0.2.8-Python-3.6.9-GCC-8.3.0-2.32.eb
	new file:   p/Python/Python-3.6.9-GCC-8.3.0-2.32.eb
	new file:   v/Vampir/Vampir-9.6.1.eb
	new file:   v/Vampir/Vampir-9.9.0.eb
 2020-11-10 13:56:15 +01:00
Lukáš Krupčík
5303eedd91 new file: g/GROMACS/GROMACS-2016.5-intel-2017c-hybrid-single-PLUMED-2.3.8.eb 
new file:   g/GROMACS/GROMACS-2020.2-intel-2020a-PLUMED-2.6.1.eb
	new file:   p/PLUMED/PLUMED-2.3.8-intel-2017c.eb
	new file:   p/PLUMED/PLUMED-2.6.1-intel-2020a-Python-3.8.2.eb
 2020-10-14 11:11:13 +02:00
Lukáš Krupčík
40ebcf366f new file: p/ParaView/ParaView-5.8.0-intel-2019a-Python-3.7.2-mpi.eb 2020-09-17 09:53:38 +02:00
Lukáš Krupčík
0c841294eb new file: b/Boost/Boost-1.72.0-intel-2020a-Python-3.8.2.eb 
new file:   p/PLY/PLY-3.11-intel-2020a-Python-3.8.2.eb
 2020-09-10 08:02:39 +02:00
Josef Hrabal
3ba80087dc new file: h/h5py/h5py-2.10.0-intel-2020a-Python-3.8.2.eb 
new file:   p/phonopy/phonopy-2.6.1-intel-2020a-Python-3.8.2.eb
	new file:   q/QMCPACK/QMCPACK-3.9.1-intel-2020a-Python-3.8.2.eb
	deleted:    q/QMCPACK/QMCPACK-3.9.1-intel-2020a.eb
 2020-09-02 13:01:30 +02:00
Lukáš Krupčík
2e84da0024 modified: a/arpack-ng/arpack-ng-3.5.0-intel-2020a.eb 
new file:   g/gperftools/gperftools-2.8-GCCcore-9.3.0.eb
	modified:   l/LAMMPS/LAMMPS-20200505-intel-2020a.eb
	modified:   n/netCDF/netCDF-4.7.3-intel-2020a.eb
	new file:   p/pytest/pytest-6.0.1-intel-2020a-Python-3.8.2.eb
	deleted:    c/CGAL/CGAL-4.11.1-intel-2020a.eb
	deleted:    p/pytest/pytest-6.0.1-Python-3.8.2.eb
 2020-09-02 08:35:15 +02:00
Lukáš Krupčík
27eb63238c new file: p/PSI4/PSI4-1.3.2-intel-2020a-Python-3.8.2.eb 
deleted:    p/PSI4/PSI4-1.3.2-intel-2020a-Py-3.8.2.eb
 2020-08-27 13:38:11 +02:00
Lukáš Krupčík
d748f3b854 modified: c/CheMPS2/CheMPS2-1.8.9-intel-2020a.eb 
new file:   d/deepdiff/deepdiff-4.0.6-GCCcore-9.3.0-Python-3.8.2.eb
	modified:   h/HDF5/HDF5-1.10.6-intel-2020a-parallel.eb
	new file:   h/h5py/h5py-2.10.0-intel-2020a.eb
	new file:   i/iccifort/iccifort-2020.1.217.eb
	new file:   i/iimpi/iimpi-2020a.eb.old
	new file:   i/intel/intel-2020a.eb.old
	modified:   l/libxc/libxc-4.3.4-intel-2020a.eb
	modified:   m/METIS/METIS-5.1.0-intel-2020a.eb
	modified:   m/Molden/Molden-6.3-intel-2020a.eb
	modified:   n/netCDF/netCDF-4.7.3-intel-2020a.eb
	new file:   n/networkx/networkx-2.4-intel-2020a-Python-3.8.2.eb
	new file:   o/OpenFOAM/OpenFOAM-v2006-intel-2020a.eb
	modified:   p/PETSc/PETSc-3.12.4-intel-2020a.eb
	new file:   p/PSI4/PSI4-1.3.2-intel-2020a-Py-3.8.2.eb
	new file:   p/pytest/pytest-6.0.1-Python-3.7.8.eb
	new file:   p/pytest/pytest-6.0.1-Python-3.8.2.eb
	modified:   q/QMCPACK/QMCPACK-3.9.1-intel-2020a.eb
	modified:   r/RELION/RELION-3.1.0-intel-2020a.eb
	modified:   s/SCOTCH/SCOTCH-6.0.9-foss-2020a.eb
	new file:   s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020a-Python-3.7.8.eb
	modified:   s/Score-P/Score-P-6.0-intel-2020a.eb
	modified:   s/SuiteSparse/SuiteSparse-5.6.0-intel-2020a-METIS-5.1.0.eb
	new file:   u/UCX/UCX-1.8.0-GCCcore-9.3.0.eb
	new file:   v/VTK/VTK-8.2.0-intel-2020a-Python-3.7.8.eb
	deleted:    i/iimpi/iimpi-2020a.eb
	deleted:    i/intel/intel-2020a.eb
	deleted:    u/UCX/UCX-1.8.1-GCC-9.3.0.eb
	deleted:    u/UCX/UCX-1.8.1-GCCcore-8.3.0.eb
	deleted:    v/VTK/VTK-8.2.0-intel-2020a-Py-3.7.eb
 2020-08-21 13:44:21 +02:00
Josef Hrabal
124b2d9ecd Merge branch 'it4i-salomon' 2020-08-06 09:54:13 +02:00
Josef Hrabal
20c9353e4f new file: h/HDF5/HDF5-1.10.1-foss-2018a.eb 
new file:   m/mpi4py/mpi4py-3.0.1-foss-2018a-Py-3.7.eb
	new file:   p/Python/Python-3.6.4-foss-2018a.eb
	new file:   p/Python/Python-3.6.6-foss-2018a.eb
	new file:   p/pybind11/pybind11-2.4.3-GCCcore-6.3.0-Python-3.7.3.eb
	new file:   v/VTK/VTK-8.1.0-foss-2018a-Python-3.6.6.eb
	deleted:    m/mpi4py/mpi4py-3.0.1-intel-2020a-Py-3.7.eb
 2020-08-06 09:53:04 +02:00
Josef Hrabal
d9bcd66c7d new file: c/CGAL/CGAL-4.14.1-foss-2020a-Python-3.7.8.eb 
new file:   l/LLVM/LLVM-6.0.0-GCCcore-9.3.0.eb
	new file:   l/LLVM/LLVM-8.0.1-GCCcore-9.3.0.eb
	new file:   m/Mako/Mako-1.0.6-GCCcore-9.3.0-Python-2.7.18.eb
	new file:   m/Mesa/Mesa-18.1.1-foss-2020a.eb
	new file:   m/Mesa/Mesa-18.3.6-GCCcore-9.3.0.eb
	modified:   o/OpenFOAM/OpenFOAM-7-foss-2020a.eb
	modified:   p/ParaView/ParaView-5.6.2-foss-2020a-Python-3.7.8-mpi.eb
	modified:   r/R/R-4.0.0-foss-2020a.eb
 2020-08-06 09:52:46 +02:00
Lukáš Krupčík
39e4ef3cf2 new file: p/ParaView/ParaView-5.6.2-foss-2020a-Python-3.7.8-mpi.eb 
new file:   p/Python/Python-3.7.8-GCCcore-9.3.0.eb
	new file:   p/pybind11/pybind11-2.4.3-GCCcore-9.3.0-Python-3.7.8.eb
	new file:   s/SciPy-bundle/SciPy-bundle-2020.03-foss-2020a-Python-3.7.8.eb
	deleted:    p/ParaView/ParaView-5.6.2-foss-2020a-Python-3.7.4-mpi.eb
 2020-07-28 09:29:25 +02:00
Lukáš Krupčík
e3c5bfa27d modified: d/DOLFIN/DOLFIN-2019.1.0-intel-2020a-Py-3.7.eb 
new file:   f/FFC/FFC-2018.1.0-conda.eb
	modified:   f/FFC/FFC-2019.1.0-conda.eb
	modified:   o/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27.eb
	new file:   p/PLY/PLY-3.11-intel-2020a-Py-3.7.eb
	modified:   p/petsc4py/petsc4py-3.12.0-Py-3.7.eb
	modified:   r/RELION/RELION-3.1.0-intel-2020a.eb
	new file:   r/RELION/fltk-ftp.patch
	deleted:    r/RELION/RELION-3.1.0-gompi-2019b.eb
 2020-07-22 12:30:01 +02:00
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Josef
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Josef
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