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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
43 lines
1012 B
Plaintext
43 lines
1012 B
Plaintext
# IT4Innovations
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# LK 2023
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easyblock = 'CMakeMake'
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name = 'OVITO'
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version = '3.9.2'
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versionsuffix = '-basic'
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homepage = 'https://www.ovito.org'
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description = """OVITO is a scientific visualization and data analysis solution for atomistic and other particle-based
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models. It helps scientists gain meaningful and quick insights from numerical simulation results."""
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toolchain = {'name': 'gompi', 'version': '2022a'}
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source_urls = ['https://gitlab.com/stuko/ovito/-/archive/v%(version)s/']
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sources = [SOURCELOWER_TAR_GZ]
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checksums = ['142da611aded2b660f68a11c034aa8cbe10561a9530ce047a08de2f8de543c8e']
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builddependencies = [
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('binutils', '2.38'),
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('CMake', '3.23.1'),
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]
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dependencies = [
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('Qt6', '6.5.3'),
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# ('Qt5', '5.15.5'),
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('HDF5', '1.12.2'),
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('netCDF', '4.9.0'),
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('FFmpeg', '4.4.2'),
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('zlib', '1.2.12'),
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('Boost', '1.79.0'),
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('libglvnd', '1.4.0'),
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('Python', '3.10.4'),
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]
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sanity_check_paths = {
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'files': ['bin/ovito'],
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'dirs': []
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}
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moduleclass = 'vis'
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