mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 23:42:12 +01:00
cef77e125f
new file: a/AOCC/AOCC-4.1.0-GCCcore-12.2.0.eb new file: a/AOCL/AOCL-4.1.0-CCcore-12.2.0.eb new file: a/Amber/Amber-22.4-foss-2022a-AmberTools-23-CUDA-11.7.0.eb new file: c/Clang/Clang-17.0.2-GCCcore-12.2.0-CUDA-12.2.0.eb new file: c/Clang/Clang-17.0.2-GCCcore-12.2.0.eb new file: g/GROMACS/GROMACS-2023-foss-2022a-CUDA-12.0.0-PLUMED-2.9.0.eb new file: g/GROMACS/GROMACS-2023.3-foss-2022a-CUDA-12.0.0-v2.eb new file: l/LAMMPS/LAMMPS-15Jun2023-foss-2022a-kokkos-sm80.eb new file: l/LAMMPS/LAMMPS-2Aug2023-foss-2022a-kokkos-sm80.eb new file: l/LAMMPS/LAMMPS-2Aug2023-foss-2022a-kokkos.eb new file: l/LAMMPS/LAMMPS-2Aug2023_update1-foss-2021b-CUDA-12.2.0-kokkos.eb new file: l/LAMMPS/LAMMPS-2Aug2023_update1-foss-2021b-kokkos.eb new file: m/MATLAB/MATLAB-2023b.eb new file: n/NCCL/NCCL-2.18.3-GCCcore-11.3.0-CUDA-12.2.0.eb new file: o/OVITO/OVITO-3.9.2-gompi-2022a-basic.eb new file: o/OVITO/OVITO-3.9.2-gompi-2022b-basic.eb new file: o/OpenMolcas/OpenMolcas-23.06-intel-2022a-noGA.eb modified: o/OpenMolcas/OpenMolcas-23.06-intel-2022a.eb new file: p/PLUMED/PLUMED-2.9.0-foss-2022a.eb new file: q/Qt6/Qt6-6.5.3-GCCcore-12.2.0.eb new file: "q/Qt6/\\" new file: u/UCX-CUDA/UCX-CUDA-1.14.1-GCCcore-11.3.0-CUDA-12.2.0.eb
55 lines
1.2 KiB
Plaintext
55 lines
1.2 KiB
Plaintext
# IT4Innovations
|
|
# LK 2023
|
|
|
|
easyblock = 'CMakeMake'
|
|
|
|
name = 'OVITO'
|
|
version = '3.9.2'
|
|
versionsuffix = '-basic'
|
|
|
|
homepage = 'https://www.ovito.org/'
|
|
description = """OVITO is a scientific visualization and analysis software for atomistic and particle simulation data."""
|
|
|
|
toolchain = {'name': 'gompi', 'version': '2022b'}
|
|
|
|
source_urls = ['https://gitlab.com/stuko/ovito/-/archive/v%(version)s/']
|
|
sources = ['ovito-v%(version)s.tar.gz']
|
|
checksums = ['32041cd3d023d2e2e24222d61b096743b7f6c5ba6c96b29f7e0fb291ff5b638e']
|
|
|
|
builddependencies = [
|
|
('binutils', '2.39'),
|
|
('CMake', '3.24.3'),
|
|
]
|
|
|
|
dependencies = [
|
|
('Qt6', '6.5.3'),
|
|
# ('Qt5', '5.15.7'),
|
|
('HDF5', '1.14.0'),
|
|
('netCDF', '4.9.0'),
|
|
('FFmpeg', '5.1.2'),
|
|
('zlib', '1.2.12'),
|
|
('Boost', '1.81.0'),
|
|
('libglvnd', '1.6.0'),
|
|
('Python', '3.10.8'),
|
|
]
|
|
|
|
import os
|
|
if os.environ.get("CLUSTERNAME") in ["BARBORA"]:
|
|
postinstallcmds = [
|
|
'rm %(installdir)s/lib/ovito/libcrypto.so.1.1',
|
|
'ln -s /lib64/libcrypto.so.1.1 %(installdir)s/lib/ovito/',
|
|
]
|
|
|
|
sanity_check_paths = {
|
|
'files': ['bin/ovito'],
|
|
'dirs': ['bin'],
|
|
}
|
|
|
|
#sanity_check_commands = ['ovito --nogui --noviewports --help']
|
|
|
|
modextravars = {
|
|
'OVITO_LICENSING_VERBOSE': '1',
|
|
}
|
|
|
|
moduleclass = 'vis'
|