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new file: e/ELPA/ELPA-2020.11.001-foss-2023a-CUDA-12.1.1.eb new file: e/ELPA/ELPA-2022.05.001-foss-2023a-CUDA-12.1.1.eb new file: e/ELPA/ELPA-2023.05.001-foss-2023a-CUDA-12.1.1.eb new file: e/ELSI/ELSI-2.11.0-foss-2023a-PEXSI-ELPA-2020.11.001-foss-2023a-CUDA-12.1.1.eb new file: e/ELSI/ELSI-2.11.0-foss-2023a-PEXSI-ELPA-2022.05.001-foss-2023a-CUDA-12.1.1.eb new file: e/ELSI/ELSI-2.11.0-foss-2023a-PEXSI-ELPA-2023.05.001-foss-2023a-CUDA-12.1.1.eb new file: s/ScalapackFx/ScalapackFx-1.2-foss-2023a.eb
64 lines
2.5 KiB
Plaintext
64 lines
2.5 KiB
Plaintext
# IT4Innovations
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# PH 2024
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easyblock = 'CMakeMake'
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name = 'ScalapackFx'
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version = '1.2'
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homepage = 'https://github.com/dftbplus/ScalapackFx'
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description = "Modern Fortran Interface for ScaLAPACK, providing convenient wrappers for diagonalization-related routines."
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toolchain = {'name': 'foss', 'version': '2023a'}
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# https://github.com/dftbplus/scalapackfx/archive/refs/tags/1.2.tar.gz
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source_urls = ['https://github.com/dftbplus/scalapackfx/archive/refs/tags/']
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sources = [f'{version}.tar.gz']
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checksums = ['277fd170cfe6b6c67242a2c179494ec48d0daae94eac26f8361ca30aafe71b98']
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builddependencies = [
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('CMake', '3.26.3'),
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('fypp', '3.2')
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]
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dependencies = [
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('ScaLAPACK', '2.2.0', '-fb'),
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('FlexiBLAS', '3.3.1'),
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]
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configopts = '-DSCALAPACK_LIBRARY="-L$EBROOTSCALAPACK/lib -lscalapack" '
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configopts += '-DLAPACK_LIBRARY="-L$EBROOTFLEXIBLAS/lib -lflexiblas" '
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sanity_check_paths = {
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'files': [
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'lib/libscalapackfx.a',
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'%(builddir)s/easybuild_obj/test/test_cpg2l',
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'%(builddir)s/easybuild_obj/test/test_desc',
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'%(builddir)s/easybuild_obj/test/test_det',
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'%(builddir)s/easybuild_obj/test/test_diag',
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'%(builddir)s/easybuild_obj/test/test_gemr2d',
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'%(builddir)s/easybuild_obj/test/test_linecomm',
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'%(builddir)s/easybuild_obj/test/test_psyr_pher',
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'%(builddir)s/easybuild_obj/test/test_subgrids',
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'%(builddir)s/easybuild_obj/test/test_svd',
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'%(builddir)s/easybuild_obj/test/test_tran',
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],
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'dirs': ['include', 'lib']
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}
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sanity_check_commands = [
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'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_cpg2l',
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'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_desc',
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'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_det',
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'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_diag',
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#'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_gemr2d',
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'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_linecomm',
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'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_psyr_pher',
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'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_subgrids',
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'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_svd',
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'cd %(builddir)s/scalapackfx-1.2/test && mpirun -n 2 ../../easybuild_obj/test/test_tran',
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]
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moduleclass = 'math' |