2623 Commits

Author SHA1 Message Date
Lukas Krupcik
968e8cb6c5 Merge branch 'it4i-barbora' 2025-04-02 12:25:57 +02:00
Lukas Krupcik
e99d1117fa Merge branch 'it4i-karolina' 2025-04-02 12:25:57 +02:00
Lukas Krupcik
7603c1f655 modified: m/mpi4pyscf/mpi4pyscf-0.3.1-foss-2021a-Python-3.9.5.eb
new file:   p/PySCF/PySCF-2.8.0-foss-2023b.eb
	new file:   x/XCFun/XCFun-2.1.1-GCCcore-13.2.0.eb
2025-04-02 12:25:28 +02:00
Lukas Krupcik
fb92406e32 new file: v/VASP/VASP-6.3.1-intel-2022b-Cc4s.eb
new file:   v/VASP/VASP-6.3.1-intel-hdf5.patch
2025-04-02 12:25:23 +02:00
Lukas Krupcik
7ad423e0ba Merge branch 'it4i-barbora' 2025-04-01 12:42:55 +02:00
Lukas Krupcik
8d95f18ea3 Merge branch 'it4i-karolina' 2025-04-01 12:42:55 +02:00
Lukas Krupcik
0d7e7759bb new file: m/mpi4pyscf/mpi4pyscf-0.3.1-foss-2021a-Python-3.9.5-PySCF-2.8.0.eb
new file:   p/PySCF/PySCF-2.8.0-foss-2021a.eb
2025-04-01 12:42:26 +02:00
Lukas Krupcik
e4f87cb7fb new file: v/VASP/VASP-6.3.1-intel-2021b-Cc4s.eb 2025-04-01 12:42:20 +02:00
Lukas Krupcik
871a1b9bd0 Merge branch 'it4i-karolina' 2025-03-31 09:40:22 +02:00
Lukas Krupcik
4f5c8ae8f9 new file: c/CASTEP/CASTEP-25.12-foss-2023b.eb 2025-03-31 09:39:57 +02:00
Lukas Krupcik
4384066a39 Merge branch 'it4i-karolina' 2025-03-28 10:07:28 +01:00
Lukas Krupcik
4a9212dd36 deleted: v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb 2025-03-28 10:07:03 +01:00
Pavel Holba
2c3b997cf5 Merge branch 'it4i-karolina' 2025-03-28 09:58:09 +01:00
Pavel Holba
431f90adbe modified: v/VASP/VASP-6.4.2-intel-2022b.eb
modified:   v/VASP/VASP-6.4.2-intel-2023b-DFT-D4.eb
2025-03-28 09:57:45 +01:00
Lukas Krupcik
788484f01c Merge branch 'it4i-karolina' 2025-03-28 09:23:42 +01:00
Lukas Krupcik
995e39ffad new file: h/HyperQueue/HyperQueue-0.22.0.eb
modified:   v/VASP/VASP-6.4.2-intel-2022b-DFT-D4.eb
	modified:   v/VASP/VASP-6.4.2-intel-2022b-libxc-6.1.0.eb
	modified:   v/VASP/VASP-6.4.2-intel-2022b-libxc-7.0.0.eb
	new file:   v/VASP/VASP-6.4.2-intel-hdf5.patch
	modified:   v/VASP/VASP-6.4.3-intel-2022b-libxc-6.1.0.eb
	new file:   v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb
	modified:   v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0.eb
	modified:   v/VASP/VASP-6.4.3-intel-2022b.eb
	modified:   v/VASP/VASP-6.4.3-intel-2023b.eb
	new file:   v/VASP/VASP-6.4.3-intel-hdf5.patch
	deleted:    z/zlib/zlib-1.2.12.eb
2025-03-28 09:23:01 +01:00
Lukas Krupcik
73dfcdf995 Merge branch 'it4i-karolina' 2025-03-26 07:38:55 +01:00
Lukas Krupcik
969f4adfb3 new file: h/HyperQueue/HyperQueue-0.22.0-rc1.eb 2025-03-26 07:38:24 +01:00
Lukas Krupcik
d0364b3704 Merge branch 'it4i-barbora' 2025-03-25 07:55:08 +01:00
Lukas Krupcik
e90920fc7b Merge branch 'it4i-karolina' 2025-03-25 07:55:08 +01:00
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
ab2d7ead01 modified: d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb 2025-03-25 07:54:27 +01:00
Lukas Krupcik
b4c4fb0618 Merge branch 'it4i-karolina' 2025-03-20 10:13:11 +01:00
Lukas Krupcik
e6fff1ea94 new file: c/CRYSTAL/CRYSTAL-23-intel-compilers-2021.4.0-OpenMPI-4.1.1-1.0.1-Pdistrib.eb
new file:   c/CRYSTAL/CRYSTAL23-ifort_i64.patch
	new file:   c/CRYSTAL/CRYSTAL23-ifort_i64_omp.patch
	new file:   f/ffnvcodec/ffnvcodec-12.2.72.0.eb
	new file:   p/PyQt6/PyQt-6.8.1-GCCcore-13.3.0.eb
	new file:   w/Wayland/Wayland-1.23.0-GCCcore-13.3.0.eb
	new file:   x/XALT/XALT-3.1.4.eb
2025-03-20 10:10:27 +01:00
Lukas Krupcik
54213bdbef Merge branch 'it4i-barbora' 2025-03-10 12:37:24 +01:00
Lukas Krupcik
79e1066c58 Merge branch 'it4i-karolina' 2025-03-10 12:37:24 +01:00
Lukas Krupcik
9e1ea5d9bd new file: s/Scalasca/Scalasca-2.6.1-iimpi-2022a.eb
new file:   s/Score-P/Score-P-8.0-iimpi-2022a.eb
2025-03-10 12:36:42 +01:00
Lukas Krupcik
a400626e10 new file: c/CRYSTAL/CRYSTAL-23-intel-2021b-1.0.1-Pdistrib.eb
new file:   c/CRYSTAL/CRYSTAL-23-intel-2021b-1.0.1-PdistribOMP.eb
	new file:   c/cuDNN/cuDNN-9.5.0.50-CUDA-12.6.0.eb
	new file:   c/cuDNN/cuDNN-9.7.1.26-CUDA-12.8.0.eb
	new file:   d/DFTB+/DFTB+-24.1-foss-2023a-CUDA-12.1.1-PL.eb
	new file:   d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_MPI.eb
	new file:   d/DFTB+/DFTB+-24.1-foss-2023a-PL_TB_noMPI.eb
	modified:   d/DFTB+/DFTB+-24.1-foss-2023a-TB.eb
2025-03-10 12:36:32 +01:00
Lukas Krupcik
0783fe9231 Merge branch 'it4i-barbora' 2025-02-24 08:10:12 +01:00
Lukas Krupcik
1523012180 Merge branch 'it4i-karolina' 2025-02-24 08:10:12 +01:00
Pavel Holba
997118e1ea new file: d/DFTB+/DFTB+-24.1-foss-2023a-TB.eb
new file:   h/HDF5/HDF5-1.14.5-gompi-2024a.eb
	new file:   h/HyperQueue/HyperQueue-0.21.1.eb
	new file:   j/JasPer/JasPer-4.2.4-GCCcore-13.3.0.eb
	new file:   n/netCDF-Fortran/netCDF-Fortran-4.6.1-gompi-2024a.eb
	new file:   n/netCDF/netCDF-4.9.2-gompi-2024a.eb
2025-02-24 08:07:02 +01:00
Pavel Holba
4af42b3b41 merge master 2025-02-10 08:23:50 +01:00
Pavel Holba
ca1d635cb4 Merge branch 'it4i-karolina' 2025-02-10 08:23:29 +01:00
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
Pavel Holba
ff55967438 modified: c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb
new file:   l/libxc/libxc-6.1.0-intel-compilers-2022.2.1-nofhc.eb
	new file:   l/libxc/libxc-7.0.0-intel-compilers-2022.2.1-nofhc.eb
	new file:   s/s3cmd/s3cmd-2.4.0-GCCcore-14.2.0-Python-3.11.1.eb
	new file:   v/VASP/VASP-6.4.2-intel-2022b-libxc-6.1.0.eb
	new file:   v/VASP/VASP-6.4.2-intel-2022b-libxc-7.0.0.eb
	new file:   v/VASP/VASP-6.4.3-intel-2022b-libxc-6.1.0.eb
	new file:   v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0.eb
2025-02-10 08:22:39 +01:00
Lukas Krupcik
7bde659876 Merge branch 'it4i-karolina' 2025-01-28 16:25:35 +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
ad23978c4e Merge branch 'it4i-karolina' 2025-01-27 09:43:50 +01:00
Lukas Krupcik
ef469ce9ae modified: c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb
new file:   c/CRYSTAL/CRYSTAL17-mpibin.patch
2025-01-27 09:43:24 +01:00
Lukas Krupcik
4b874a9ed0 Merge branch 'it4i-karolina' 2025-01-27 09:23:29 +01:00
Lukas Krupcik
3059b3335d new file: o/ORCA/ORCA-6.0.1-gompi-2023b-avx2.eb 2025-01-27 09:22:36 +01:00
Pavel Holba
2e8b01281f Merge branch 'it4i-karolina' 2025-01-22 12:18:41 +01:00
Pavel Holba
a27a876f39 new file: p/PWTK/PWTK-3.2.eb
new file:   t/tcl-thread/tcl-thread-2.8.8-GCCcore-13.2.0.eb
	new file:   t/tcl-thread/tcl-thread-2.8.8-fix_pkgdir.patch
	new file:   t/tclreadline/tclreadline-2.4.0-GCCcore-13.2.0.eb
2025-01-22 12:17:58 +01:00
Pavel Holba
45a4f329f9 Merge branch 'it4i-karolina' 2025-01-16 11:27:54 +01:00
Pavel Holba
0284a149cc new file: h/HyperQueue/HyperQueue-0.21.0.eb 2025-01-16 11:27:11 +01:00
Lukas Krupcik
ebb409079b Merge branch 'it4i-cs' 2025-01-13 08:29:04 +01:00
Lukas Krupcik
0362843132 Merge branch 'it4i-karolina' 2025-01-13 08:29:04 +01:00
Lukas Krupcik
029a4a4035 modified: o/OpenMPI/OpenMPI-4.1.6-NVHPC-24.11.eb 2025-01-13 08:28:50 +01:00
Lukas Krupcik
eb40143388 new file: a/AOCC/AOCC-5.0.0-GCCcore-14.2.0.eb
new file:   a/AOCL/AOCL-5.0.0-CCcore-14.2.0.eb
	new file:   m/mayavi/mayavi-4.8.2-foss-2023b.eb
	new file:   p/PyQt5/PyQt5-5.15.11-GCCcore-13.2.0-Python-3.11.5.eb
	modified:   t/TotalView/TotalView-2022.1.11.eb
2025-01-13 08:28:25 +01:00
Lukas Krupcik
4f97cc946e Merge branch 'it4i-barbora' 2025-01-06 09:40:58 +01:00