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27 changes: 27 additions & 0 deletions
27
easybuild/easyconfigs/__archive__/f/f90nml/f90nml-1.4.4-GCCcore-10.2.0.eb
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,27 @@ | ||
| easyblock = 'PythonPackage' | ||
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| name = 'f90nml' | ||
| version = '1.4.4' | ||
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| homepage = 'https://github.com/marshallward/f90nml' | ||
| description = """A Python module and command line tool for parsing | ||
| Fortran namelist files""" | ||
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| toolchain = {'name': 'GCCcore', 'version': '10.2.0'} | ||
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| sources = [SOURCE_TAR_GZ] | ||
| checksums = ['65e8e135779895245238cbf6be5b1b80d6c2b8c9350c9cdce6183a31bdfd7622'] | ||
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| builddependencies = [ | ||
| ('binutils', '2.35'), | ||
| ] | ||
| dependencies = [ | ||
| ('Python', '3.8.6'), | ||
| ('PyYAML', '5.3.1') | ||
| ] | ||
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| use_pip = True | ||
| download_dep_fail = True | ||
| sanity_pip_check = True | ||
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| moduleclass = 'tools' |
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| Original file line number | Diff line number | Diff line change |
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| easyblock = 'CMakeMake' | ||
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| name = 'ALL' | ||
| version = '0.9.2' | ||
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| homepage = 'https://gitlab.jsc.fz-juelich.de/SLMS/loadbalancing' | ||
| description = """A Load Balancing Library (ALL) aims to provide an easy way to include dynamic | ||
| domain-based load balancing into particle based simulation codes. The library | ||
| is developed in the Simulation Laboratory Molecular Systems of the Jülich | ||
| Supercomputing Centre at Forschungszentrum Jülich.""" | ||
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| toolchain = {'name': 'foss', 'version': '2023a'} | ||
| toolchainopts = {'usempi': True} | ||
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| source_urls = ["https://gitlab.jsc.fz-juelich.de/SLMS/loadbalancing/-/archive/v%(version)s/"] | ||
| sources = ['loadbalancing-v%(version)s.tar.gz'] | ||
| checksums = ['2b4ef52c604c3c0c467712d0912a33c82177610b67edc14df1e034779c6ddb71'] | ||
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| builddependencies = [ | ||
| ('CMake', '3.26.3'), | ||
| ('Boost', '1.82.0'), # only needed for tests | ||
| ] | ||
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| dependencies = [ | ||
| ('VTK', '9.3.0'), | ||
| ] | ||
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| configopts = '-DCM_ALL_FORTRAN=ON -DCM_ALL_USE_F08=ON -DCM_ALL_VORONOI=ON -DCM_ALL_VTK_OUTPUT=ON ' | ||
| configopts += '-DCM_ALL_TESTS=ON -DCM_ALL_AUTO_DOC=OFF -DVTK_DIR=$EBROOTVTK ' | ||
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| runtest = 'test' | ||
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| sanity_check_paths = { | ||
| 'files': [ | ||
| 'include/ALL.hpp', 'include/ALL_Voronoi.hpp', 'lib/all_module.mod', | ||
| 'lib/libALL.a', 'lib/libALL_fortran.a' | ||
| ], | ||
| 'dirs': ['lib/cmake'], | ||
| } | ||
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| moduleclass = 'lib' |
47 changes: 47 additions & 0 deletions
47
easybuild/easyconfigs/a/AMS/AMS-2023.104-iimpi-2022b-intelmpi.eb
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| Original file line number | Diff line number | Diff line change |
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| easyblock = 'Tarball' | ||
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| name = 'AMS' | ||
| version = '2023.104' | ||
| versionsuffix = '-intelmpi' | ||
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| homepage = 'https://www.scm.com/amsterdam-modeling-suite/' | ||
| description = """ | ||
| The Amsterdam Modeling Suite (AMS) provides a comprehensive set of modules for | ||
| computational chemistry and materials science, from quantum mechanics to fluid | ||
| thermodynamics. | ||
| """ | ||
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| toolchain = {'name': 'iimpi', 'version': '2022b'} | ||
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| sources = ['ams%(version)s.pc64_linux.intelmpi.bin.tgz'] | ||
| checksums = ['c977014f14291f7f210be7e48bc28f71ab0a076a5af257e92f2c873f54d208af'] | ||
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| dependencies = [('libGLU', '9.0.2')] | ||
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| keepsymlinks = True | ||
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| sanity_check_paths = { | ||
| 'files': [], | ||
| 'dirs': ['atomicdata', 'bin', 'examples'], | ||
| } | ||
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| # check if license file is installed | ||
| # sanity_check_commands = ['dirac check'] | ||
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| modextrapaths = { | ||
| 'AMSHOME': '', | ||
| 'AMSBIN': 'bin', | ||
| 'AMSRESOURCES': 'atomicdata', | ||
| } | ||
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| modextravars = { | ||
| # use Intel MPI from EasyBuild | ||
| 'SCM_USE_LOCAL_IMPI': '1', | ||
| } | ||
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| modloadmsg = """These environment variables need to be defined before using AMS: | ||
| * $SCMLICENSE: path to AMS license file | ||
| * $SCM_TMPDIR: path to user scratch directory | ||
| """ | ||
|
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| moduleclass = 'chem' |
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25 changes: 25 additions & 0 deletions
25
easybuild/easyconfigs/a/Arrow/Arrow-8.0.0_fix-BaseExtensionType-arrow-ext-methods.patch
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,25 @@ | ||
| fix for: | ||
| AttributeError: 'pyarrow.lib.BaseExtensionType' object has no attribute '__arrow_ext_class__' | ||
| see https://github.com/apache/arrow/pull/33802 | ||
| diff -u python/pyarrow/types.pxi.orig python/pyarrow/types.pxi | ||
| --- python/pyarrow/types.pxi.orig 2022-05-03 18:59:12.000000000 +0200 | ||
| +++ python/pyarrow/types.pxi 2024-01-09 13:15:20.313755064 +0100 | ||
| @@ -760,6 +836,18 @@ | ||
| DataType.init(self, type) | ||
| self.ext_type = <const CExtensionType*> type.get() | ||
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| + def __arrow_ext_class__(self): | ||
| + """ | ||
| + The associated array extension class | ||
| + """ | ||
| + return ExtensionArray | ||
| + | ||
| + def __arrow_ext_scalar_class__(self): | ||
| + """ | ||
| + The associated scalar class | ||
| + """ | ||
| + return ExtensionScalar | ||
| + | ||
| @property | ||
| def extension_name(self): | ||
| """ |
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