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Merge pull request #14242 from easybuilders/4.5.x
release EasyBuild v4.5.0
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| Original file line number | Diff line number | Diff line change |
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| easyblock = 'PackedBinary' | ||
| easyblock = 'Tarball' | ||
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| name = 'ADMIXTURE' | ||
| version = '1.3.0' | ||
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| homepage = 'http://software.genetics.ucla.edu/admixture' | ||
| homepage = 'https://dalexander.github.io/admixture/' | ||
| description = """ADMIXTURE is a software tool for maximum likelihood estimation of individual ancestries from | ||
| multilocus SNP genotype datasets. It uses the same statistical model as STRUCTURE but calculates estimates much | ||
| more rapidly using a fast numerical optimization algorithm.""" | ||
|
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| toolchain = SYSTEM | ||
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| source_urls = ['http://software.genetics.ucla.edu/%(namelower)s/binaries/'] | ||
| source_urls = ['https://dalexander.github.io/admixture/binaries/'] | ||
| sources = ['%(namelower)s_linux-%(version)s.tar.gz'] | ||
| checksums = ['41f209817a17981a717c9a4aa3d799da718ed080f3386e703927628c74ca6ca6'] | ||
| checksums = [('41f209817a17981a717c9a4aa3d799da718ed080f3386e703927628c74ca6ca6', | ||
| '353e8b170c81f8d95946bf18bc78afda5d6bd32645b2a68658bd6781ff35703c')] | ||
|
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| postinstallcmds = ["mkdir %(installdir)s/bin && mv %(installdir)s/admixture{,32} %(installdir)s/bin/"] | ||
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| sanity_check_paths = { | ||
| 'files': ['admixture', 'admixture32'], | ||
| 'files': ['bin/admixture', 'bin/admixture32'], | ||
| 'dirs': [] | ||
| } | ||
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| sanity_check_commands = ["admixture --help"] | ||
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| moduleclass = 'bio' |
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| @@ -0,0 +1,50 @@ | ||
| # Authors:: Jack Perdue <[email protected]> - TAMU HPRC - https://hprc.tamu.edu | ||
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| easyblock = 'CMakeMake' | ||
|
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| name = 'ARTS' | ||
| version = '2.2.64' | ||
|
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| homepage = 'http://www.radiativetransfer.org/' | ||
| description = """ARTS is a radiative transfer model for the millimeter and sub-millimeter | ||
| spectral range. There are a number of models mostly developed explicitly | ||
| for the different sensors.""" | ||
|
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| toolchain = {'name': 'gompi', 'version': '2019a'} | ||
| toolchainopts = {'opt': True, 'cstd': 'gnu++98', 'openmp': True} | ||
|
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| source_urls = ['http://www.radiativetransfer.org/misc/download/stable/2.2/'] | ||
| sources = [ | ||
| SOURCELOWER_TAR_GZ, | ||
| '%(namelower)s-xml-data-2.2.5.tar.gz', | ||
| ] | ||
| checksums = [ | ||
| 'e33308b0c9d7697fa885a865f18e8c6ec5feddafc815df907c2905bd150d0b01', | ||
| '6a4e15ebd5c718e46f41c2e7d7d1462578c008fd96e78f4d8cc59e366b91c795', | ||
| ] | ||
|
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| builddependencies = [ | ||
| ('CMake', '3.13.3'), | ||
| ('Doxygen', '1.8.15'), | ||
| ] | ||
|
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| dependencies = [ | ||
| ('netCDF', '4.6.2'), | ||
| ('netCDF-C++4', '4.3.0'), | ||
| ] | ||
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| separate_build_dir = True | ||
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| configopts = "-DENABLE_FORTRAN=1 -DARTS_XML_DATA_PATH=../arts-xml-data-2.2.5 " | ||
| configopts += "-DNETCDF_INCLUDE_DIR=$EBROOTNETCDF/include " | ||
| configopts += "-DNETCDF_LIBRARY=$EBROOTNETCDF/lib64/libnetcdf.%s " % SHLIB_EXT | ||
| configopts += "-DNETCDFXX_LIBRARY=$EBROOTNETCDFMINCPLUSPLUS4/lib/libnetcdf_c++4.%s" % SHLIB_EXT | ||
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| sanity_check_paths = { | ||
| 'files': ['bin/arts'], | ||
| 'dirs': ['bin', 'share/arts/controlfiles/artscomponents'], | ||
| } | ||
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| sanity_check_commands = ["arts --help"] | ||
|
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| moduleclass = 'phys' |
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| @@ -0,0 +1,47 @@ | ||
| easyblock = 'PythonBundle' | ||
|
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| name = 'ASE' | ||
| version = '3.22.0' | ||
|
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| homepage = 'https://wiki.fysik.dtu.dk/ase' | ||
| description = """ASE is a python package providing an open source Atomic Simulation Environment | ||
| in the Python scripting language. | ||
| From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations | ||
| in C of functions in ASE. ASE uses it automatically when installed.""" | ||
|
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| toolchain = {'name': 'foss', 'version': '2020b'} | ||
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| dependencies = [ | ||
| ('Python', '3.8.6'), | ||
| ('SciPy-bundle', '2020.11'), | ||
| ('Flask', '1.1.2'), | ||
| ('matplotlib', '3.3.3'), | ||
| ('Tkinter', '%(pyver)s'), # Needed by GUI of ASE | ||
| ('spglib-python', '1.16.0'), # optional | ||
| ] | ||
|
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| use_pip = True | ||
| sanity_pip_check = True | ||
|
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| exts_list = [ | ||
| ('pytest-mock', '3.6.1', { | ||
| 'checksums': ['40217a058c52a63f1042f0784f62009e976ba824c418cced42e88d5f40ab0e62'], | ||
| }), | ||
| ('ase', version, { | ||
| 'checksums': ['e60259c7b50867b1cb817caf938fcc1ed383702413df6d2e1afe7ea07f65acee'], | ||
| }), | ||
| ('ase-ext', '20.9.0', { | ||
| 'checksums': ['a348b0e42cf9fdd11f04b3df002b0bf150002c8df2698ff08d3c8fc7a1223aed'], | ||
| }), | ||
| ] | ||
|
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| sanity_check_paths = { | ||
| 'files': ['bin/ase'], | ||
| 'dirs': ['lib/python%(pyshortver)s/site-packages'], | ||
| } | ||
|
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| # make sure Tkinter is available, otherwise 'ase gui' will not work | ||
| sanity_check_commands = ["python -c 'import tkinter' "] | ||
|
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| moduleclass = 'chem' |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,47 @@ | ||
| easyblock = 'PythonBundle' | ||
|
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| name = 'ASE' | ||
| version = '3.22.0' | ||
|
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| homepage = 'https://wiki.fysik.dtu.dk/ase' | ||
| description = """ASE is a python package providing an open source Atomic Simulation Environment | ||
| in the Python scripting language. | ||
| From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations | ||
| in C of functions in ASE. ASE uses it automatically when installed.""" | ||
|
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| toolchain = {'name': 'fosscuda', 'version': '2020b'} | ||
|
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| dependencies = [ | ||
| ('Python', '3.8.6'), | ||
| ('SciPy-bundle', '2020.11'), | ||
| ('Flask', '1.1.2'), | ||
| ('matplotlib', '3.3.3'), | ||
| ('Tkinter', '%(pyver)s'), # Needed by GUI of ASE | ||
| ('spglib-python', '1.16.0'), # optional | ||
| ] | ||
|
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| use_pip = True | ||
| sanity_pip_check = True | ||
|
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| exts_list = [ | ||
| ('pytest-mock', '3.6.1', { | ||
| 'checksums': ['40217a058c52a63f1042f0784f62009e976ba824c418cced42e88d5f40ab0e62'], | ||
| }), | ||
| ('ase', version, { | ||
| 'checksums': ['e60259c7b50867b1cb817caf938fcc1ed383702413df6d2e1afe7ea07f65acee'], | ||
| }), | ||
| ('ase-ext', '20.9.0', { | ||
| 'checksums': ['a348b0e42cf9fdd11f04b3df002b0bf150002c8df2698ff08d3c8fc7a1223aed'], | ||
| }), | ||
| ] | ||
|
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| sanity_check_paths = { | ||
| 'files': ['bin/ase'], | ||
| 'dirs': ['lib/python%(pyshortver)s/site-packages'], | ||
| } | ||
|
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| # make sure Tkinter is available, otherwise 'ase gui' will not work | ||
| sanity_check_commands = ["python -c 'import tkinter' "] | ||
|
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| moduleclass = 'chem' |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,47 @@ | ||
| easyblock = 'PythonBundle' | ||
|
|
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| name = 'ASE' | ||
| version = '3.22.0' | ||
|
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| homepage = 'https://wiki.fysik.dtu.dk/ase' | ||
| description = """ASE is a python package providing an open source Atomic Simulation Environment | ||
| in the Python scripting language. | ||
| From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations | ||
| in C of functions in ASE. ASE uses it automatically when installed.""" | ||
|
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| toolchain = {'name': 'intel', 'version': '2020b'} | ||
|
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| dependencies = [ | ||
| ('Python', '3.8.6'), | ||
| ('SciPy-bundle', '2020.11'), | ||
| ('Flask', '1.1.2'), | ||
| ('matplotlib', '3.3.3'), | ||
| ('Tkinter', '%(pyver)s'), # Needed by GUI of ASE | ||
| ('spglib-python', '1.16.0'), # optional | ||
| ] | ||
|
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| use_pip = True | ||
| sanity_pip_check = True | ||
|
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| exts_list = [ | ||
| ('pytest-mock', '3.6.1', { | ||
| 'checksums': ['40217a058c52a63f1042f0784f62009e976ba824c418cced42e88d5f40ab0e62'], | ||
| }), | ||
| ('ase', version, { | ||
| 'checksums': ['e60259c7b50867b1cb817caf938fcc1ed383702413df6d2e1afe7ea07f65acee'], | ||
| }), | ||
| ('ase-ext', '20.9.0', { | ||
| 'checksums': ['a348b0e42cf9fdd11f04b3df002b0bf150002c8df2698ff08d3c8fc7a1223aed'], | ||
| }), | ||
| ] | ||
|
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| sanity_check_paths = { | ||
| 'files': ['bin/ase'], | ||
| 'dirs': ['lib/python%(pyshortver)s/site-packages'], | ||
| } | ||
|
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| # make sure Tkinter is available, otherwise 'ase gui' will not work | ||
| sanity_check_commands = ["python -c 'import tkinter' "] | ||
|
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| moduleclass = 'chem' |
38 changes: 38 additions & 0 deletions
38
easybuild/easyconfigs/a/AdapterRemoval/AdapterRemoval-2.3.2-GCC-10.2.0.eb
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| @@ -0,0 +1,38 @@ | ||
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| easyblock = 'ConfigureMake' | ||
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| name = 'AdapterRemoval' | ||
| version = '2.3.2' | ||
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| homepage = 'https://github.com/MikkelSchubert/adapterremoval' | ||
| description = """AdapterRemoval searches for and removes remnant adapter sequences | ||
| from High-Throughput Sequencing (HTS) data and (optionally) trims low quality bases | ||
| from the 3' end of reads following adapter removal.""" | ||
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| toolchain = {'name': 'GCC', 'version': '10.2.0'} | ||
| toolchainopts = {'pic': True} | ||
|
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| github_account = 'MikkelSchubert' | ||
| source_urls = [GITHUB_LOWER_SOURCE] | ||
| sources = ['v%(version)s.tar.gz'] | ||
| checksums = ['3ded7e08fb64e1b19f5c3de623de276d9cbb657a52b23a844ff74576d1b4f8d4'] | ||
|
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| dependencies = [ | ||
| ('bzip2', '1.0.8'), | ||
| ('zlib', '1.2.11'), | ||
| ] | ||
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| skipsteps = ['configure'] | ||
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| installopts = "PREFIX=%(installdir)s" | ||
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| runtest = 'test' | ||
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| sanity_check_paths = { | ||
| 'files': ['bin/%(name)s'], | ||
| 'dirs': ['share'] | ||
| } | ||
|
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| sanity_check_commands = [('%(name)s', '--version')] | ||
|
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| moduleclass = 'bio' |
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