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Merge pull request #15212 from easybuilders/4.5.x
release EasyBuild v4.5.4
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,37 @@ | ||
| name = 'ABAQUS' | ||
| version = '2021' | ||
| local_hotfix = '2132' | ||
| versionsuffix = '-hotfix-%s' % local_hotfix | ||
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| homepage = 'https://www.simulia.com/products/abaqus_fea.html' | ||
| description = """Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit | ||
| dynamics FEA.""" | ||
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| toolchain = SYSTEM | ||
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| sources = [ | ||
| '%(version)s.AM_SIM_Abaqus_Extend.AllOS.1-5.tar', | ||
| '%(version)s.AM_SIM_Abaqus_Extend.AllOS.2-5.tar', | ||
| '%(version)s.AM_SIM_Abaqus_Extend.AllOS.3-5.tar', | ||
| '%(version)s.AM_SIM_Abaqus_Extend.AllOS.4-5.tar', | ||
| '%(version)s.AM_SIM_Abaqus_Extend.AllOS.5-5.tar', | ||
| # hotfixes | ||
| '%%(version)s.FP.CFA.%s.Part_SIMULIA_Documentation.AllOS.tar' % local_hotfix, | ||
| '%%(version)s.FP.CFA.%s.Part_SIMULIA_EstPrd.Linux64.tar' % local_hotfix, | ||
| '%%(version)s.FP.CFA.%s.Part_SIMULIA_Isight.Linux64.tar' % local_hotfix, | ||
| ] | ||
| checksums = [ | ||
| 'fbc93662c2c0ea9294df79ed9c9678246582d1f63598ad999bbb17fee0dbf54a', # 2021.AM_SIM_Abaqus_Extend.AllOS.1-5.tar | ||
| '4433dee911274f559a9372291c007f359108e8e1ab2db6abe570727e1b13741a', # 2021.AM_SIM_Abaqus_Extend.AllOS.2-5.tar | ||
| 'ddd79bfa40c238b12cc36c2d37ee3a351c21684fd5d6aba402a87051ee27096d', # 2021.AM_SIM_Abaqus_Extend.AllOS.3-5.tar | ||
| 'c7b5b04388c1a29f4c5ad46da35e2f5e6d2d493832611fc90860644ff837ded0', # 2021.AM_SIM_Abaqus_Extend.AllOS.4-5.tar | ||
| 'fafb50a0ee12128cd604563eb9b5b845cbeb4383c24df837220cbce847bd5c58', # 2021.AM_SIM_Abaqus_Extend.AllOS.5-5.tar | ||
| # 2021.FP.CFA.2132.Part_SIMULIA_Documentation.AllOS.tar | ||
| 'ac62bdeda3939c83dfc7683eced82816e1dbfdf6e93b7ac5b87967a239438bd4', | ||
| # 2021.FP.CFA.2132.Part_SIMULIA_EstPrd.Linux64.tar | ||
| 'b3e98f05db92c0a15520feef3494fb80d260d3ecdb67610059c3fd229426d78b', | ||
| # 2021.FP.CFA.2132.Part_SIMULIA_Isight.Linux64.tar | ||
| 'b27a90484f89989c3f27133239a85483ee24092af5d8a2159681b2cc1fada46c', | ||
| ] | ||
|
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| moduleclass = 'cae' |
38 changes: 38 additions & 0 deletions
38
easybuild/easyconfigs/a/AMS/AMS-2020.102-iimpi-2020b-intelmpi.eb
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,38 @@ | ||
| easyblock = 'Tarball' | ||
|
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| name = 'AMS' | ||
| version = '2020.102' | ||
| 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': '2020b'} | ||
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| sources = ['ams%(version)s.pc64_linux.intelmpi.bin.tgz'] | ||
| checksums = ['8a68eef268d7eb53ea1e10f66a48a8280f4dadae585999096ba1c246e88989db'] | ||
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| dependencies = [('libGLU', '9.0.1')] | ||
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| keepsymlinks = True | ||
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| sanity_check_paths = { | ||
| 'files': [], | ||
| 'dirs': ['atomicdata', 'bin', 'examples'], | ||
| } | ||
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| modextrapaths = { | ||
| 'AMSHOME': '', | ||
| 'AMSBIN': 'bin', | ||
| 'AMSRESOURCES': 'atomicdata', | ||
| } | ||
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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' |
64 changes: 64 additions & 0 deletions
64
easybuild/easyconfigs/a/AUGUSTUS/AUGUSTUS-3.4.0-foss-2021b.eb
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,64 @@ | ||
| # Updated by: Pavel Grochal (INUITS) | ||
| # License: GPLv2 | ||
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| easyblock = 'ConfigureMake' | ||
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| name = 'AUGUSTUS' | ||
| version = '3.4.0' | ||
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| homepage = 'https://bioinf.uni-greifswald.de/augustus/' | ||
| description = "AUGUSTUS is a program that predicts genes in eukaryotic genomic sequences" | ||
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| toolchain = {'name': 'foss', 'version': '2021b'} | ||
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| # https://github.com/Gaius-Augustus/Augustus/archive | ||
| github_account = 'Gaius-Augustus' | ||
| source_urls = [GITHUB_SOURCE] | ||
| sources = ['v%(version)s.tar.gz'] | ||
| patches = ['AUGUSTUS-%(version)s_fix-hardcoding.patch'] | ||
| checksums = [ | ||
| '2c06cf5953da5afdce1478fa10fcd3c280a3b050f1b2367bf3e731d7374d9bb8', # v3.4.0.tar.gz | ||
| 'e74023f28ee3e76590f4534d195c313b88b66a92ec779da184d30d056fc8e052', # AUGUSTUS-3.4.0_fix-hardcoding.patch | ||
| ] | ||
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| builddependencies = [ | ||
| ('Python', '3.9.6'), | ||
| ] | ||
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| dependencies = [ | ||
| ('zlib', '1.2.11'), | ||
| ('Boost', '1.77.0'), | ||
| ('GSL', '2.7'), | ||
| ('SAMtools', '1.14'), | ||
| ('HTSlib', '1.14'), # also provides tabix | ||
| ('BCFtools', '1.14'), | ||
| ('lpsolve', '5.5.2.11'), | ||
| ('SuiteSparse', '5.10.1', '-METIS-5.1.0'), | ||
| ('BamTools', '2.5.2'), | ||
| ('SQLite', '3.36'), | ||
| ] | ||
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| skipsteps = ['configure'] | ||
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| # run "make clean" to avoid using binaries included with the source tarball | ||
| prebuildopts = "make clean && " | ||
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| buildopts = 'COMPGENEPRED=true SQLITE=true ZIPINPUT=true MYSQL=false CXX="$CXX" LINK.cc="$CXX" ' | ||
| installopts = 'INSTALLDIR=%(installdir)s ' | ||
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| sanity_check_paths = { | ||
| 'files': ['bin/augustus', 'bin/bam2hints', 'bin/etraining', 'bin/fastBlockSearch', | ||
| 'bin/filterBam', 'bin/getSeq', 'bin/homGeneMapping', 'bin/joingenes', | ||
| 'bin/load2sqlitedb', 'bin/prepareAlign'], | ||
| 'dirs': ['config', 'scripts'], | ||
| } | ||
| sanity_check_commands = ['augustus --help'] | ||
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| modextrapaths = {'PATH': 'scripts'} | ||
| modextravars = { | ||
| 'AUGUSTUS_BIN_PATH': '%(installdir)s/bin', | ||
| 'AUGUSTUS_CONFIG_PATH': '%(installdir)s/config', | ||
| 'AUGUSTUS_SCRIPTS_PATH': '%(installdir)s/scripts', | ||
| } | ||
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| moduleclass = 'bio' |
31 changes: 31 additions & 0 deletions
31
easybuild/easyconfigs/a/Abseil/Abseil-20210324.2-GCCcore-11.2.0.eb
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,31 @@ | ||
| easyblock = 'CMakeMake' | ||
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| name = 'Abseil' | ||
| version = '20210324.2' | ||
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| homepage = 'https://abseil.io/' | ||
| description = """Abseil is an open-source collection of C++ library code designed to augment the | ||
| C++ standard library. The Abseil library code is collected from Google's own | ||
| C++ code base, has been extensively tested and used in production, and is the | ||
| same code we depend on in our daily coding lives.""" | ||
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| toolchain = {'name': 'GCCcore', 'version': '11.2.0'} | ||
| toolchainopts = {'pic': True, 'cstd': 'c++11'} | ||
|
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| source_urls = ['https://github.com/abseil/abseil-cpp/archive/refs/tags'] | ||
| sources = ['%(version)s.tar.gz'] | ||
| checksums = ['59b862f50e710277f8ede96f083a5bb8d7c9595376146838b9580be90374ee1f'] | ||
|
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| builddependencies = [ | ||
| ('binutils', '2.37'), | ||
| ('CMake', '3.21.1'), | ||
| ] | ||
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| configopts = '-DBUILD_SHARED_LIBS=ON ' | ||
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| sanity_check_paths = { | ||
| 'files': ['lib/libabsl_base.%s' % SHLIB_EXT], | ||
| 'dirs': ['include/absl'], | ||
| } | ||
|
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| moduleclass = 'lib' |
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