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new file: a/ANN/ANN-1.1.2-GCC-12.2.0.eb new file: c/Cgicc/Cgicc-3.2.19-GCC-12.2.0.eb new file: c/CoordgenLibs/CoordgenLibs-3.0.1-gompi-2022b.eb new file: c/c-blosc/c-blosc-1.21.0-GCC-10.2.0.eb new file: f/FastCGI/FastCGI-2.4.2-GCC-12.2.0.eb new file: g/GDB/GDB-12.1-GCCcore-11.3.0.eb new file: g/GDB/GDB-13.2-GCCcore-12.2.0.eb new file: g/GMP/GMP-6.2.1.eb new file: g/gompi/gompi-2020d.eb new file: g/gperftools/gperftools-2.10-GCCcore-12.2.0.eb new file: h/HDF5/HDF5-1.12.0-gompi-2020d.eb modified: h/hwloc/hwloc-1.11.7-GCC-10.2.0.eb new file: i/ISL/ISL-0.24-GCCcore-12.2.0.eb new file: i/ISL/ISL-0.24.eb new file: j/JsonCpp/JsonCpp-1.9.5-GCCcore-12.2.0.eb new file: k/kim-api/kim-api-2.3.0-GCCcore-11.2.0.eb modified: l/LAMMPS/LAMMPS-23Jun2022-foss-2021b-kokkos.eb new file: l/LEMON/LEMON-1.3.1-GCC-12.2.0.eb new file: m/MPC/MPC-1.2.1-GCCcore-12.2.0.eb new file: m/MPC/MPC-1.2.1.eb new file: m/MPFR/MPFR-4.1.0-GCCcore-12.2.0.eb new file: m/maeparser/maeparser-1.3.0-gompi-2022b.eb new file: m/makeinfo/makeinfo-6.8-GCCcore-12.2.0.eb new file: o/OpenBabel/OpenBabel-3.1.1-gompi-2022b.eb new file: o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0-CUDA-12.2.0.eb modified: o/OpenMPI/OpenMPI-3.1.4-GCC-10.2.0.eb new file: o/openPMD-api/openPMD-api-0.14.4-gompi-2020d.eb new file: p/PNGwriter/PNGwriter-0.7.0-GCC-10.2.0.eb new file: s/SWIG/SWIG-4.0.2-GCCcore-12.2.0.eb
50 lines
1.3 KiB
Plaintext
50 lines
1.3 KiB
Plaintext
# IT4Innovations
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# LK 2023
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easyblock = 'CMakeMake'
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name = 'kim-api'
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version = '2.3.0'
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homepage = 'https://openkim.org/'
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description = """Open Knowledgebase of Interatomic Models.
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KIM is an API and OpenKIM is a collection of interatomic models (potentials) for
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atomistic simulations. This is a library that can be used by simulation programs
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to get access to the models in the OpenKIM database.
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This EasyBuild only installs the API, the models can be installed with the
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package openkim-models, or the user can install them manually by running
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kim-api-collections-management install user MODELNAME
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or
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kim-api-collections-management install user OpenKIM
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to install them all.
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"""
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toolchain = {'name': 'GCCcore', 'version': '11.2.0'}
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source_urls = ['https://s3.openkim.org/kim-api/']
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sources = ['%(name)s-%(version)s.txz']
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checksums = ['93673bb8fbc0625791f2ee67915d1672793366d10cabc63e373196862c14f991']
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builddependencies = [('binutils', '2.37')]
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dependencies = [
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('CMake', '3.22.1'), # Also needed to install models, thus not just a builddependency.
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]
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parallel = 1
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separate_build_dir = True
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build_type = 'Release'
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modextravars = {
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'KIM_API_CMAKE_PREFIX_DIR': '%(installdir)s/lib64'
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}
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sanity_check_paths = {
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'files': ['bin/kim-api-collections-management', 'lib64/libkim-api.%s' % SHLIB_EXT],
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'dirs': []
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}
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moduleclass = 'chem'
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