1816 Commits

Author SHA1 Message Date
easybuild
7cf8321d41 new file: o/OpenFOAM/OpenFOAM-v2012-cleanup.patch
new file:   o/OpenFOAM/OpenFOAM-v2012-foss-2020a.eb
	new file:   o/OpenFOAM/OpenFOAM-v2106-foss-2021a.eb
2021-08-27 08:38:21 +02:00
Lukas Krupcik
268178ca33 Merge branch 'it4i-karolina' 2021-08-26 09:40:52 +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
a9f443e335 Merge branch 'it4i-karolina' 2021-08-24 08:39:49 +02:00
Lukas Krupcik
6da0c50b93 new file: o/OpenMPI/OpenMPI-4.1.1-GCC-10.3.0.eb 2021-08-24 08:38:26 +02:00
Lukas Krupcik
374210b60b Merge branch 'it4i-barbora' 2021-08-16 08:54:58 +02:00
Lukas Krupcik
3862c94f1c Merge branch 'it4i-karolina' 2021-08-16 08:54:58 +02:00
Lukas Krupcik
72e135bd22 modified: n/Newton-X/Newton-X-2.2-B09-intel-2020b.eb 2021-08-16 08:54:21 +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
0ab2f0a8cc Merge branch 'it4i-barbora' 2021-08-11 09:21:16 +02:00
Lukas Krupcik
9361d0e5e2 Merge branch 'it4i-karolina' 2021-08-11 09:21:16 +02:00
Lukas Krupcik
705e0fda82 new file: q/QtiPlot/qtiplot-1.0.0.eb
new file:   r/ReSpect/ReSpect-5.1.0.eb
2021-08-11 09:20:41 +02:00
Lukas Krupcik
6bba769829 new file: a/AOCL/AOCL-3.0-6-GCCcore-10.2.0.eb
new file:   a/Anaconda3/Anaconda3-2021.05.eb
	new file:   q/QtiPlot/qtiplot-1.0.0.eb
2021-08-11 09:20:30 +02:00
Lukas Krupcik
6ba8ed42a2 Merge branch 'it4i-barbora' 2021-08-10 07:46:16 +02:00
Lukas Krupcik
9472568c90 deleted: u/UCX/: 2021-08-10 07:45:51 +02:00
Lukas Krupcik
7aa2f463f6 Merge branch 'it4i-karolina' 2021-08-10 07:38:11 +02:00
Lukas Krupcik
70f887ce13 new file: s/Siesta/Siesta-4.1-b4-intel-2020b.eb
new file:   s/Siesta/Siesta-4.1-b5-intel-2020b.eb
	deleted:    s/Siesta/Siesta-4.1.5-intel-2020b.eb
2021-08-10 07:37:28 +02:00
Lukas Krupcik
9bee6d0116 Merge branch 'it4i-karolina' 2021-08-09 11:00:00 +02:00
Lukas Krupcik
58dddb69c6 modified: h/HDF5/HDF5-1.10.6-intel-2020a.eb
new file:   n/netCDF/netCDF-4.7.4-intel-2020b.eb
	new file:   s/Siesta/Siesta-4.1.5-intel-2020b.eb
2021-08-09 10:59:17 +02:00
Lukas Krupcik
921ec4a133 Merge branch 'it4i-barbora' 2021-08-09 08:57:18 +02:00
Lukas Krupcik
821d36f194 new file: h/HyperQueue/HyperQueue-0.4.0.eb 2021-08-09 08:56:52 +02:00
Lukas Krupcik
498d4d7615 Merge branch 'it4i-salomon' 2021-08-09 08:48:10 +02:00
Lukas Krupcik
f5547b4da7 new file: g/GROMACS/GROMACS-2018.1-intel-2017c-hybrid-single-PLUMED.eb 2021-08-09 08:47:52 +02:00
Lukas Krupcik
5413865e74 Merge branch 'it4i-salomon' 2021-08-09 08:32:32 +02:00
Lukas Krupcik
0aa52721d8 Merge branch 'it4i-dgx' 2021-08-09 08:32:32 +02:00
Lukas Krupcik
9ed2fc9cb2 Merge branch 'it4i-barbora' 2021-08-09 08:32:32 +02:00
Lukas Krupcik
fa04e5f607 Merge branch 'it4i-karolina' 2021-08-09 08:32:32 +02:00
Lukas Krupcik
1b92b3b0bf new file: c/CUDAcore/CUDAcore-11.4.1.eb 2021-08-09 08:32:19 +02:00
Lukas Krupcik
67fe6cb595 new file: m/magic/magic-0.4.24-GCCcore-9.3.0-Python-3.8.2.eb
new file:   s/s3cmd/s3cmd-2.1.0-GCCcore-9.3.0-Python-3.8.2.eb
2021-08-09 08:31:55 +02:00
Lukas Krupcik
1f2c7b3d95 new file: b/BerkeleyGW/BerkeleyGW-3.0.1-intel-2020b-Python-3.8.6.eb
new file:   g/GDAL/GDAL-3.3.1-foss-2021a.eb
	new file:   g/GDRCopy/GDRCopy-2.1-GCCcore-9.3.0-CUDA-11.2.2.eb
	new file:   g/GDRCopy/GDRCopy-2.2-NVHPC-21.2-CUDA-11.2.2.eb
	new file:   j/JUBE/JUBE-2.4.1.eb
	new file:   o/ORCA/ORCA-5.0.0-OpenMPI-4.1.1.eb
	new file:   o/ORCA/ORCA-5.0.1-OpenMPI-4.1.1.eb
	new file:   o/OpenMPI/OpenMPI-4.0.5-GCCcore-9.3.0-CUDA-11.2.2-devel.eb
	new file:   o/OpenMPI/OpenMPI-4.0.5-GCCcore-9.3.0-CUDA-11.2.2.eb
	new file:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.2.2-UCX-11.1.0-rc2.eb
	new file:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.2.2-test.eb
	new file:   o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.2-CUDA-11.2.2.eb
	new file:   s/Schrodinger/Schrodinger_2021-3_Linux-x86_64.eb
	new file:   s/spirit/spirit-2.1.1-CUDA-10.2.89.eb
	new file:   t/Trim_Galore/Trim_Galore-0.6.6-GCC-10.2.0-Python-2.7.18.eb
	new file:   u/UCX/:
	new file:   u/UCX/UCX-1.11.0-rc1-NVHPC-21.2-CUDA-11.2.2.eb
	new file:   u/UCX/UCX-1.9.0-GCCcore-9.3.0-CUDA-11.2.2-devel.eb
	new file:   u/UCX/UCX-1.9.0-GCCcore-9.3.0-CUDA-11.2.2.eb
	modified:   u/UCX/UCX-1.9.0-NVHPC-21.2-CUDA-11.2.2.eb
	new file:   u/UCX/UCX-1.9.0-m4.patch
	new file:   v/VASP/VASP-6.2.1-intel-2020b-mkl=sequential.eb
	new file:   y/Yambo/Yambo-5.0.3-intel-2020a.eb
2021-08-09 08:31:32 +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
534a6faef2 Merge branch 'master' of code.it4i.cz:sccs/easyconfigs-it4i into it4i-karolina 2021-07-02 11:57:12 +02:00
easybuild
9dde6530b9 add karolina 2021-07-02 11:52:11 +02:00
Lukas Krupcik
373d9e445c Merge branch 'it4i-dgx' 2021-06-16 10:57:06 +02:00
Lukas Krupcik
705e6c3773 new file: s/Singularity/Singularity-3.8.0.eb 2021-06-16 10:56:37 +02:00
Lukas Krupcik
1a3661f792 Merge branch 'it4i-dgx' 2021-06-16 09:29:17 +02:00
Lukas Krupcik
3f373c137f deleted: "o/OpenMPI/\\" 2021-06-16 09:28:39 +02:00
Lukas Krupcik
fe764e88fd Merge branch 'it4i-barbora' 2021-06-16 07:43:40 +02:00
Lukas Krupcik
747221f326 new file: a/arpack-ng/arpack-ng-3.8.0-intel-2020b.eb
new file:   b/BerkeleyGW/BerkeleyGW-2.1.0-intel-2020b-Python-3.8.6.eb
	new file:   b/BerkeleyGW/BerkeleyGW-2.1.0_missing_file.patch
	new file:   b/BerkeleyGW/BerkeleyGW-2.1.0_tests.patch
	new file:   d/DFTB+/DFTB+-21.1-intel-2020b-Python-3.8.6.eb
	new file:   d/DFTB+/config.cmake-MANUAL-INSTALATION.patch
	new file:   d/dftd3-lib/dftd3-lib-0.9.2-GCC-10.2.0.eb
	new file:   d/dftd3-lib/dftd3-lib-0.9.2_fix-extras-syntax.patch
	new file:   e/ELPA/ELPA-2019.11.001-intel-2020b.eb
	new file:   h/HDF5/HDF5-1.10.6-iimpi-2020b.eb
	new file:   h/h5py/h5py-2.10.0-intel-2020b-Python-3.8.6.eb
	new file:   h/hypothesis/hypothesis-6.13.1-GCC-10.2.0.eb
	new file:   i/impi/impi-2021.2.0-intel-compilers-2021.2.0.eb
	new file:   i/intel-compilers/intel-compilers-2021.2.0.eb
	new file:   n/Newton-X/Newton-X-2.2-B09-intel-2020b.eb
	new file:   n/Newton-X/newton-x-2.2.patch
	new file:   p/pkgconfig/pkgconfig-1.5.1-GCCcore-10.2.0-python.eb
	new file:   p/pybind11/pybind11-2.4.3-GCC-10.2.0-Python-3.8.6.eb
	new file:   p/pybind11/pybind11-2.6.0-GCC-10.2.0-Python-3.8.6.eb
	new file:   s/Schrodinger/Schrodinger_2021-2_Linux-x86_64.eb
	new file:   s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020b-Python-3.8.6.eb
	new file:   s/SciPy-bundle/SciPy-bundle-2021.05-intel-2020b.eb
2021-06-16 07:42:30 +02:00
Lukas Krupcik
0c4c927907 Merge branch 'it4i-barbora' 2021-06-02 10:17:14 +02:00
Lukas Krupcik
e995329acc new file: a/ANSYS/ANSYS-21.1-intel-2018a.eb
new file:   b/Bison/Bison-3.7.6-GCCcore-10.2.0.eb
	new file:   b/bwidget/bwidget-1.9.14-GCCcore-10.2.0.eb
	new file:   d/DFTB+/DFTB+-21.1-intel-2020a-Python-3.8.2.eb
	new file:   g/GDRCopy/GDRCopy-2.1-NVHPC-21.2-CUDA-11.2.0.eb
	new file:   g/GDRCopy/GDRCopy-2.1-NVHPC-21.2-CUDA-11.2.2.eb
	new file:   g/GDRCopy/GDRCopy-2.1-NVHPC-21.2-CUDA-11.3.0.eb
	new file:   g/git/git-2.31.1.eb
	new file:   m/MATLAB/MATLAB-2021a.eb
	new file:   m/Molpro/Molpro-mpp-2021.1.0.linux_x86_64_openmp.eb
	new file:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.2.2.eb
	new file:   o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2-CUDA-11.3.0.eb
	new file:   "o/OpenMPI/\\"
	new file:   s/SoX/SoX-14.4.2-intel-2020b.eb
	modified:   s/SoX/SoX-14.4.2.eb
	new file:   t/Tcl/Tcl-8.6.11-GCCcore-10.2.0.eb
	new file:   t/Tk/Tk-8.6.11-GCCcore-10.2.0.eb
	new file:   t/Togl/Togl-2.0-GCCcore-10.2.0.eb
	new file:   t/Togl/Togl-2.0_configure.patch
	new file:   t/Togl/Togl-2.0_decl.patch
	new file:   u/UCX/UCX-1.10.1-NVHPC-21.2-CUDA-11.3.0.eb
	new file:   u/UCX/UCX-1.9.0-NVHPC-21.2-CUDA-11.2.2.eb
	new file:   u/UCX/UCX-1.9.0-NVHPC-21.2-CUDA-11.3.0.eb
	new file:   x/XCrySDen/XCrySDen-1.6.2-intel-2020b.eb
2021-06-02 10:16:23 +02:00
Lukas Krupcik
2497a920d6 Merge branch 'it4i-barbora' 2021-05-04 13:32:01 +02:00
Lukas Krupcik
e76191e478 new file: v/VESTA/VESTA-3.5.7.eb 2021-05-04 13:31:04 +02:00
Lukas Krupcik
00f800c5c2 Merge branch 'it4i-salomon' 2021-04-27 16:41:12 +02:00
Lukas Krupcik
029b6e50f2 Merge branch 'it4i-barbora' 2021-04-27 16:41:11 +02:00
Lukas Krupcik
1250f855db deleted: n/nettle/nettle-3.5.1-GCCcore-9.3.0.eb 2021-04-27 16:40:35 +02:00
Lukas Krupcik
67440f44f1 new file: c/COMSOL/COMSOL-5.2.0-COM.eb
new file:   c/COMSOL/COMSOL-5.2.0-EDU.eb
	modified:   n/nettle/nettle-3.5.1-GCCcore-8.3.0.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-Java-1.8.0_221.eb
	new file:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0-Java-1.8.0_221.eb
2021-04-27 16:40:17 +02:00
Lukáš Krupčík
af0f202fe6 Merge branch 'it4i-barbora' 2021-04-13 14:32:01 +02:00
Lukáš Krupčík
db36bd82ca new file: m/MCR/MCR-R2015b.eb
new file:   m/MCR/MCR-R2021a.0.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-Java-1.8.0_221.eb
2021-04-13 14:31:26 +02:00
Lukas Krupcik
a11d82a318 Merge branch 'it4i-salomon' 2021-04-12 12:41:24 +02:00