lukasplevac/easyconfigs-it4i
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Lukas Krupcik a2bb6c8760 new file: d/DFT-D4/DFT-D4-3.2.0-remove_module_id.patch 
new file:   d/DFT-D4/DFT-D4-3.6.0-intel-2022b-Python-3.10.8.eb
	modified:   d/DFTB+/DFTB+-21.1-intel-2020b-Python-3.8.6-karolina.eb
	modified:   d/DFTB+/DFTB+-21.2-intel-2020b-TB.eb
	new file:   f/Forge/Forge-23.0.2.eb
	new file:   l/LAPACK/LAPACK-3.10.0-GCC-12.2.0.eb
	modified:   p/PyTorch/PyTorch-1.11.0-fosscuda-2020b.eb
	modified:   v/VASP/VASP-6.2.0-intel-2020b.eb
	new file:   v/VASP/VASP-6.4.2-intel-2022b-DFT-D4.eb
	new file:   w/Wannier90/Wannier90-3.1.0-intel-2022b-serial.eb
2023-09-27 09:23:34 +02:00
..
p4vasp
fix depricated
2019-11-06 13:27:39 +01:00
Pango
modified: ARCHIVE/a/ALAMODE/ALAMODE-0.9.8-intel-2017a.eb
2022-06-13 10:47:13 +02:00
PAPI
new file: c/Cube/Cube-4.4.4-GCCcore-8.3.0.eb
2020-03-13 08:45:50 +01:00
Paraver
modified: d/Dakota/Dakota-6.15.0-foss-2021b.eb
2022-05-05 10:20:31 +02:00
Paraview
modified: ARCHIVE/a/ALAMODE/ALAMODE-0.9.8-intel-2017a.eb
2022-06-13 10:47:13 +02:00
ParaView
new file: a/AOMP/AOMP-17.0-1-gcccuda-2022b.eb
2023-05-04 14:18:28 +02:00
ParMETIS
new file: a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb
2021-10-20 12:21:51 +02:00
Pasha
_not_installed merged back
2017-04-05 12:53:18 +02:00
PatchELF
fix depricated
2019-11-06 13:27:39 +01:00
PBSPro
modified: a/ABAQUS/ABAQUS-6.12.1-linux-x86_64.eb
2019-11-06 13:34:42 +01:00
PCRE
new file: a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb
2021-10-20 12:21:51 +02:00
PCRE2
new file: a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb
2021-10-20 12:21:51 +02:00
PDT
new file: c/Cube/Cube-4.4.4-GCCcore-8.3.0.eb
2020-03-13 08:45:50 +01:00
PerformanceReports
fix depricated
2019-11-06 13:27:39 +01:00
Perl
modified: c/CUDAcore/CUDAcore-11.6.0.eb
2023-08-08 09:24:57 +02:00
PETSc
new file: p/PETSc/PETSc-3.19.2-foss-2022b.eb
2023-09-20 13:00:34 +02:00
PGDSpider
fix
2019-11-06 13:38:09 +01:00
PGI
modified: ARCHIVE/a/ALAMODE/ALAMODE-0.9.8-intel-2017a.eb
2022-06-13 10:47:13 +02:00
PhaseLink
Delete PhaseLink-20210503.tar.gz
2022-04-19 09:03:44 +02:00
phono3py
new file: p/phono3py/phono3py-2.7.0-conda.eb
2023-09-25 09:24:37 +02:00
phonopy
new file: p/phono3py/phono3py-2.7.0-conda.eb
2023-09-25 09:24:37 +02:00
picard
modified: ARCHIVE/a/ALAMODE/ALAMODE-0.9.8-intel-2017a.eb
2022-06-13 10:47:13 +02:00
pigz
new file: m/Molpro/Molpro-mpp-2020.2.1.linux_x86_64_openmp.eb
2021-02-22 12:06:03 +01:00
Pillow
new file: a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb
2021-10-20 12:21:51 +02:00
PillowSIMD
new file: a/apex/apex-20210420-fosscuda-2020b.eb
2022-04-14 15:20:32 +02:00
Pint
new file: a/ANSYS/ANSYS-2023R1-intel-2022a.eb
2023-03-13 17:11:24 +01:00
pixman
new file: b/Biopython/Biopython-1.76-Py-3.7.eb
2020-01-09 11:14:33 +01:00
pkg-config
modified: c/CUDAcore/CUDAcore-11.6.0.eb
2023-08-08 09:24:57 +02:00
pkgconf
modified: c/CUDAcore/CUDAcore-11.6.0.eb
2023-08-08 09:24:57 +02:00
pkgconfig
new file: a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb
2021-10-20 12:21:51 +02:00
Platanus
formatter
2018-10-03 07:48:02 +02:00
PLplot
new file: b/Blender/Blender-2.81-intel-2017c-Py-3.7.eb
2019-12-11 11:05:37 +01:00
PLUMED
new file: b/Boost/Boost-1.68.0-intel-2017c-serial.eb
2023-02-07 13:40:28 +01:00
PLY
new file: a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb
2021-10-20 12:21:51 +02:00
PMIx
modified: g/GROMACS/GROMACS-2022-fosscuda-2020b.eb
2023-09-25 09:14:47 +02:00
PNGwriter
new file: a/ADIOS2/ADIOS2-2.7.0-gompi-2020d.eb
2023-07-11 11:24:41 +02:00
poppler
new file: g/graphite2/graphite2-1.3.14-GCCcore-10.2.0.eb
2021-12-07 11:26:32 +01:00
PragTic
fix
2019-11-06 13:38:09 +01:00
PRINSEQ
modified: ARCHIVE/a/ALAMODE/ALAMODE-0.9.8-intel-2017a.eb
2022-06-13 10:47:13 +02:00
ProbABEL
fix depricated
2019-11-06 13:27:39 +01:00
PROJ
new file: a/apex/apex-20210420-fosscuda-2020b.eb
2022-04-14 15:20:32 +02:00
PROJ_4
fix depricated
2019-11-06 13:27:39 +01:00
protobuf
new file: a/Automake/Automake-1.16.4.eb
2022-03-04 13:15:08 +01:00
protobuf-python
new file: a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb
2021-10-20 12:21:51 +02:00
PSBLAS
modified: archive/g/GROMACS/GROMACS-5.1.2-foss-2015g-hybrid-single-CUDA-7.5-PLUMED.eb
2020-05-19 09:52:32 +02:00
pscom
modified: archive/g/GROMACS/GROMACS-5.1.2-foss-2015g-hybrid-single-CUDA-7.5-PLUMED.eb
2020-05-19 09:52:32 +02:00
PSI
modified: ARCHIVE/a/ALAMODE/ALAMODE-0.9.8-intel-2017a.eb
2022-06-13 10:47:13 +02:00
PSI4
new file: c/CheMPS2/CheMPS2-1.8.12-foss-2022b.eb
2023-08-29 09:26:56 +02:00
PSPFFT
new file: d/DL_MG/DL_MG-2.1.4-intel-2021b.eb
2022-08-15 14:53:44 +02:00
pWord2Vec
new file: a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb
2021-10-20 12:21:51 +02:00
pybind11
new file: h/hypothesis/hypothesis-6.14.6-GCCcore-10.2.0.eb
2021-11-01 14:04:00 +01:00
pydantic
new file: a/ANSYS/ANSYS-2023R1-intel-2022a.eb
2023-03-13 17:11:24 +01:00
pyFFTW
modified: b/BoltzTraP2/BoltzTraP2-20.7.1-intel-2020b-Python-3.8.6.eb
2022-10-27 10:50:56 +02:00
PyGObject
new file: a/Amber/Amber-20.11-fosscuda-2020b-AmberTools-21.3.eb
2021-10-20 12:21:51 +02:00
pymatgen
new file: a/ABCluster/ABCluster-3.1.eb
2022-08-01 10:38:12 +02:00
pyproj
new file: a/apex/apex-20210420-fosscuda-2020b.eb
2022-04-14 15:20:32 +02:00
PyQt5
new file: p/PyQt5/PyQt5-5.15.4-GCCcore-11.2.0.eb
2022-06-01 13:09:30 +02:00
PySCF
new file: p/PhaseLink/PhaseLink-20210503-fix-python-bin.patch
2022-04-19 08:58:27 +02:00
pysr
new file: p/pysr/pysr-0.12.1-Python-3.10.8-GCCcore-12.2.0.eb
2023-04-12 09:23:37 +02:00
pytest
new file: c/CheMPS2/CheMPS2-1.8.12-foss-2022b.eb
2023-08-29 09:26:56 +02:00
Python
new file: a/ANSYS/ANSYS-2023R1-intel-2022a-alamerini.eb
2023-09-14 09:04:23 +02:00
PyTorch
new file: d/DFT-D4/DFT-D4-3.2.0-remove_module_id.patch
2023-09-27 09:23:34 +02:00
PyYAML
new file: a/ANSYS/ANSYS-22.2-intel-2022a-test.eb
2023-02-21 14:48:08 +01:00