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12 Commits

Author SHA1 Message Date
easybuild
5c44c32106 new file: a/ANSYS/ANSYS-22.2-intel-2020b.eb 
new file:   f/FFTW/FFTW-3.3.10-gompi-2021b-amd.eb
	new file:   h/HyperQueue/HyperQueue-0.13.0.eb
	new file:   o/OVITO/OVITO-3.7.11-GCCcore-11.3.0-pro.eb
	new file:   t/Tensorflow/TensorFlow-2.10.0-fosscuda-2020b.eb
	new file:   v/VASP/VASP-6.3.2-foss-2021b.eb
	new file:   w/Wannier90/Wannier90-3.1.0-foss-2021b-serial.eb
	deleted:    v/VASP/VASP-6.3.1-foss-2022a.eb
 2022-11-10 15:50:45 +01:00
Lukáš Krupčík
b2d970f9b9 Merge branch 'dwivepr1-master-patch-74467' into 'master' 
Update OVITO-pro3.5.2.eb

See merge request sccs/easyconfigs-it4i!30
 2021-12-16 10:44:28 +01:00
Lukáš Krupčík
68f92ab92d Merge branch 'dwivepr1-master-patch-39427' into 'master' 
Add a new OVITO file, with a more robust analysis for Molecular Dynamics. I...

See merge request sccs/easyconfigs-it4i!31
 2021-12-16 10:44:17 +01:00
Lukas Krupcik
8a102f717f modified: o/OVITO/OVITO-3.5.4-GCC-10.2.0-pro.eb 2021-10-22 09:58:26 +02:00
Lukas Krupcik
f8a410a714 deleted: o/OVITO/OVITO-3.5.1-GCC-10.2.0-pro.eb 2021-10-20 10:38:07 +02:00
Lukas Krupcik
0ccddc88f8 new file: o/OVITO/OVITO-3.5.1-GCC-10.2.0-pro.eb 
new file:   o/OVITO/OVITO-3.5.4-GCC-10.2.0-pro.eb
 2021-10-20 10:33:21 +02:00
Prashant Dwivedi
9052a05add Add a new OVITO file, with a more robust analysis for Molecular Dynamics. I request to add as I brought a licence to use the pro version. Thank you 2021-06-13 12:45:30 +00:00
Prashant Dwivedi
eb4cfe955e Update OVITO-pro3.5.2.eb 2021-05-28 11:11:33 +00:00
Lukáš Krupčík
f16a80d82f new file: o/OVITO/OVITO-3.2.1-basic.eb 2020-10-06 15:36:49 +02:00
Lukáš Krupčík
852d8b9650 modified: c/CheMPS2/CheMPS2-1.8.9-intel-2020a.eb 
new file:   g/GlobalArrays/GlobalArrays-5.7.2-intel-2020a.eb
	modified:   h/HDF5/HDF5-1.10.6-intel-2020a.eb
	new file:   h/h5py/h5py-2.9.0-Py-2.7.eb
	new file:   m/mpi4py/mpi4py-3.0.1-intel-2020a-Py-2.7.eb
	modified:   o/OVITO/OVITO-3.0.0.628.eb
	modified:   o/OVITO/OVITO-3.0.0.794-basic.eb
 2020-05-25 09:33:04 +02:00
Lukáš Krupčík
e8edf1a12c modified: archive/g/GROMACS/GROMACS-5.1.2-foss-2015g-hybrid-single-CUDA-7.5-PLUMED.eb 
modified:   archive/g/GROMACS/GROMACS-5.1.2-foss-2016a-hybrid-single-CUDA-7.5-PLUMED-2.3b.eb
	modified:   archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-CUDA-7.5-PLUMED-2.2.1.eb
	modified:   archive/g/GROMACS/GROMACS-5.1.2-intel-2015b-hybrid-single-cuda.eb
	modified:   archive/g/GROMACS/GROMACS-5.1.2-intel-2016a-hybrid-single-cuda.eb
	modified:   archive/p/PLUMED/PLUMED-2.3.0-foss-2016a.eb
	modified:   e/EasyBuild/EasyBuild-4.1.0.eb
	modified:   g/GROMACS/GROMACS-5.1.4-foss-2017a-hybrid-single-PLUMED.eb
	modified:   l/libmatheval/libmatheval-1.1.8-foss-2017a.eb
	new file:   o/OVITO/OVITO-3.0.0.628.eb
	new file:   o/OVITO/OVITO-3.0.0.794-basic.eb
	modified:   o/OpenMPI/OpenMPI-2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26.eb
	modified:   o/OpenMPI/OpenMPI-2.0.1.eb
	modified:   p/PSBLAS/PSBLAS-ext-1.0-4.eb
	modified:   p/Py/Py-2.7.old.eb
	modified:   p/pscom/pscom-5.0.48-1.eb
	modified:   s/spGPU/spGPU-master.eb
	deleted:    o/OVITO/OVITO-3.0.0.eb
 2020-05-19 09:52:32 +02:00
Lukáš Krupčík
387197e8d3 new file: m/MUMPS/MUMPS-5.3.1-intel-2018a-parmetis.eb 
new file:   m/MUMPS/MUMPS-5.3.1-intel-2020a-parmetis.eb
	new file:   o/OVITO/OVITO-3.0.0.eb
	new file:   p/ParMETIS/ParMETIS-4.0.3-intel-2018a.eb
	new file:   p/ParMETIS/ParMETIS-4.0.3-intel-2020a.eb
	new file:   s/Scalasca/Scalasca-2.5-intel-2020a.eb
 2020-05-15 12:41:22 +02:00