easybuild
dd2b99aede
modified: o/OVITO/OVITO-3.7.11-GCCcore-11.3.0-pro.eb
2022-11-10 20:29:09 +01:00
easybuild
41fa6f2135
modified: o/OVITO/OVITO-3.7.11-GCCcore-11.3.0-pro.eb
2022-11-10 20:27:20 +01:00
easybuild
5c44c32106
new file: a/ANSYS/ANSYS-22.2-intel-2020b.eb
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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'
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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'
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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
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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
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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
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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
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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
