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Merge pull request #19103 from easybuilders/4.8.x
release EasyBuild v4.8.2
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| Original file line number | Diff line number | Diff line change |
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@@ -11,3 +11,4 @@ dist/ | |
| *.ropeproject/ | ||
| eb-*.log | ||
| /MANIFEST | ||
| /easybuild/easyconfigs/.eb-path-index | ||
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,41 @@ | ||
| 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': '2022b'} | ||
| 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', '3.24.3'), | ||
| ('Boost', '1.81.0'), # only needed for tests | ||
| ] | ||
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| dependencies = [ | ||
| ('VTK', '9.2.6'), | ||
| ] | ||
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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' |
42 changes: 42 additions & 0 deletions
42
easybuild/easyconfigs/a/AOFlagger/AOFlagger-3.4.0-foss-2022a.eb
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,42 @@ | ||
| easyblock = 'CMakeMake' | ||
|
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| name = 'AOFlagger' | ||
| version = '3.4.0' | ||
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| homepage = 'https://aoflagger.readthedocs.io/' | ||
| description = """The AOFlagger is a tool that can find and remove radio-frequency interference (RFI) | ||
| in radio astronomical observations. It can make use of Lua scripts to make flagging strategies flexible, | ||
| and the tools are applicable to a wide set of telescopes.""" | ||
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| toolchain = {'name': 'foss', 'version': '2022a'} | ||
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| sources = [{ | ||
| 'source_urls': ['https://gitlab.com/aroffringa/aoflagger/-/package_files/96704214/'], | ||
| 'filename': '%(namelower)s-v%(version)s.tar.bz2', | ||
| 'download_filename': 'download' # provided source tarball is not versioned... | ||
| }] | ||
| checksums = ['9560b7381b68f37d842599f222a8aa2a5d3d3d501d1277471e1a0ba3d7b2aeba'] | ||
|
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| builddependencies = [ | ||
| ('CMake', '3.24.3'), | ||
| ] | ||
| dependencies = [ | ||
| ('casacore', '3.5.0'), | ||
| ('Boost', '1.79.0'), | ||
| ('CFITSIO', '4.2.0'), | ||
| ('GSL', '2.7'), | ||
| ('HDF5', '1.12.2'), | ||
| ('Python', '3.10.4'), | ||
| ('Lua', '5.4.4'), | ||
| ('libpng', '1.6.37'), | ||
| ('libxml2', '2.9.13'), | ||
| ] | ||
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| sanity_check_paths = { | ||
| 'files': ['include/aoflagger.h', 'bin/aoflagger'], | ||
| 'dirs': ['bin'], | ||
| } | ||
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| sanity_check_commands = [('aoflagger', '-v')] | ||
|
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| moduleclass = 'lib' |
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,36 @@ | ||
| easyblock = "PythonPackage" | ||
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| name = 'ASAP3' | ||
| version = '3.13.2' | ||
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| homepage = 'https://wiki.fysik.dtu.dk/asap/' | ||
| description = """ASAP is a calculator for doing large-scale classical molecular | ||
| dynamics within the Campos Atomic Simulation Environment (ASE).""" | ||
|
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| toolchain = {'name': 'foss', 'version': '2023a'} | ||
| toolchainopts = {'pic': True, 'usempi': True, 'openmp': False} | ||
|
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| sources = [SOURCELOWER_TAR_GZ] | ||
| checksums = ['c2e6f0570de8037be45afd9bf35f6b4e76e1f518a0af0207c6bf5809ddb1abb8'] | ||
|
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| builddependencies = [ | ||
| ('pkgconf', '1.9.5'), | ||
| ] | ||
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| dependencies = [ | ||
| ('Python', '3.11.3'), | ||
| ('SciPy-bundle', '2023.07'), | ||
| ('ASE', '3.22.1'), | ||
| ('kim-api', '2.3.0'), | ||
| ] | ||
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| use_pip = True | ||
| download_dep_fail = True | ||
| sanity_pip_check = True | ||
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| sanity_check_paths = { | ||
| 'files': [], | ||
| 'dirs': ['lib/python%(pyshortver)s/site-packages/%(namelower)s'] | ||
| } | ||
|
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| moduleclass = 'phys' |
30 changes: 30 additions & 0 deletions
30
easybuild/easyconfigs/a/ASCAT/ASCAT-3.1.2-foss-2022b-R-4.2.2.eb
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,30 @@ | ||
| easyblock = 'RPackage' | ||
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| name = 'ASCAT' | ||
| version = '3.1.2' | ||
| versionsuffix = '-R-%(rver)s' | ||
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| homepage = 'https://github.com/VanLoo-lab/ascat' | ||
| description = """ASCAT is a method to derive copy number profiles of tumor cells, | ||
| accounting for normal cell admixture and tumor aneuploidy.""" | ||
|
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| toolchain = {'name': 'foss', 'version': '2022b'} | ||
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| source_urls = ['https://github.com/VanLoo-lab/ascat/archive/refs/tags/'] | ||
| sources = ['v%(version)s.tar.gz'] | ||
| checksums = ['5d65aef417ad12ea0e638b4179def5a9b8f25e1ccd757e41a6509534fe20eb17'] | ||
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| dependencies = [ | ||
| ('R', '4.2.2'), | ||
| ('R-bundle-Bioconductor', '3.16', versionsuffix), | ||
| ('alleleCount', '4.3.0'), | ||
| ] | ||
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| start_dir = '%(name)s' | ||
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| sanity_check_paths = { | ||
| 'files': [], | ||
| 'dirs': ['%(name)s'] | ||
| } | ||
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| moduleclass = 'bio' |
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