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adding easyconfigs: MUSCLE3-0.7.2-foss-2023b.eb, MUSCLE3-0.7.2-intel-…
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105
easybuild/easyconfigs/m/MUSCLE3/MUSCLE3-0.7.2-foss-2023b.eb
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,105 @@ | ||
| easyblock = 'ConfigureMakePythonPackage' | ||
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| name = 'MUSCLE3' | ||
| version = '0.7.2' | ||
|
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| homepage = 'https://muscle3.readthedocs.io/en/latest/index.html' | ||
|
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| description = """MUSCLE3 allows connecting multiple simulation models | ||
| together into a multiscale simulation. Simulation models can be as | ||
| simple as a single Python file, or as complex as a combination of | ||
| multiple separate simulation codes written in C++ or Fortran, and | ||
| running on an HPC machine.""" | ||
|
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| toolchain = {'name': 'foss', 'version': '2023b'} | ||
| toolchainopts = {'usempi': True} | ||
|
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| source_urls = ['https://github.com/multiscale/%(namelower)s/archive/refs/tags/'] | ||
| sources = ['%(version)s.tar.gz'] | ||
| checksums = ['9596899f4a576d4ca80cc54c4cd458aac25ef0038a97843c76cec60a7105f779'] | ||
|
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| builddependencies = [ | ||
| ('googletest', '1.14.0'), | ||
| ] | ||
|
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| dependencies = [ | ||
| ('msgpack-c', '6.0.0'), | ||
| ('zlib', '1.2.13'), | ||
| ('Python', '3.11.5'), | ||
| ('SciPy-bundle', '2023.11'), | ||
| ('QCG-PilotJob', '0.13.1'), | ||
| # ('ruamel.yaml', '0.17.40'), | ||
| ('PyYAML', '6.0.1'), | ||
| ('matplotlib', '3.8.2'), | ||
| ] | ||
|
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| skipsteps = ['configure'] | ||
|
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| prebuildopts = 'msgpack_ROOT=$EBROOTMSGPACKMINC ' | ||
| preinstallopts = 'PREFIX=%(installdir)s ' | ||
| testopts = 'googletest_ROOT=$EBROOTGOOGLETEST' | ||
|
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| exts_defaultclass = 'PythonPackage' | ||
|
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| exts_default_options = { | ||
| 'source_urls': [PYPI_SOURCE], | ||
| 'use_pip': True, | ||
| 'download_dep_fail': True, | ||
| 'sanity_pip_check': True, | ||
| } | ||
|
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| exts_list = [ | ||
| ('typing_extensions', '4.12.2', { | ||
| 'checksums': ['1a7ead55c7e559dd4dee8856e3a88b41225abfe1ce8df57b7c13915fe121ffb8'], | ||
| }), | ||
| ('msgpack', '1.0.8', { | ||
| 'checksums': ['95c02b0e27e706e48d0e5426d1710ca78e0f0628d6e89d5b5a5b91a5f12274f3'], | ||
| }), | ||
| ('click', '8.1.7', { | ||
| 'checksums': ['ca9853ad459e787e2192211578cc907e7594e294c7ccc834310722b41b9ca6de'], | ||
| }), | ||
| ('yatiml', '0.11.1', { | ||
| 'checksums': ['354cefe305e45a557eda18cd3adc7680a178b4a4ebf68606404bf967fb7a72af'], | ||
| }), | ||
| ('ymmsl', '0.13.1', { | ||
| 'checksums': ['42433d126aab6c53c8b60f1001dcdea94567deec32adff5df5a1f2e9e1792546'], | ||
| }), | ||
| ('netifaces', '0.11.0', { | ||
| 'checksums': ['043a79146eb2907edf439899f262b3dfe41717d34124298ed281139a8b93ca32'], | ||
| }), | ||
| ('muscle3', version, { | ||
| 'source_tmpl': '%(version)s.tar.gz', | ||
| 'source_urls': ['https://github.com/multiscale/muscle3/archive/refs/tags/'], | ||
| 'checksums': ['9596899f4a576d4ca80cc54c4cd458aac25ef0038a97843c76cec60a7105f779'], | ||
| }), | ||
| ] | ||
|
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| modextrapaths = { | ||
| 'MUSCLE3_HOME': '', | ||
| } | ||
|
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| sanity_check_paths = { | ||
| 'files': ['include/libmuscle.f90', | ||
| 'include/libmuscle.mod', | ||
| 'include/libmuscle/libmuscle.hpp', | ||
| 'include/ymmsl/ymmsl.hpp', | ||
| 'lib/libmuscle.a', | ||
| 'lib/libmuscle.%s' % SHLIB_EXT, | ||
| 'lib/libmuscle_fortran.a', | ||
| 'lib/libmuscle_fortran.%s' % SHLIB_EXT, | ||
| 'lib/libymmsl.a', | ||
| 'lib/libymmsl.%s' % SHLIB_EXT, | ||
| 'lib/libymmsl_fortran.a', | ||
| 'lib/libymmsl_fortran.%s' % SHLIB_EXT, | ||
| 'lib/pkgconfig/libmuscle.pc', | ||
| 'lib/pkgconfig/libmuscle_fortran.pc', | ||
| 'lib/pkgconfig/ymmsl.pc', | ||
| 'lib/pkgconfig/ymmsl_fortran.pc'], | ||
| 'dirs': ['bin', | ||
| 'include/libmuscle/mcp', | ||
| 'include/ymmsl', | ||
| 'lib/pkgconfig', | ||
| 'lib64'] | ||
| } | ||
|
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| moduleclass = 'tools' |
105 changes: 105 additions & 0 deletions
105
easybuild/easyconfigs/m/MUSCLE3/MUSCLE3-0.7.2-intel-2023b.eb
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,105 @@ | ||
| easyblock = 'ConfigureMakePythonPackage' | ||
|
|
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| name = 'MUSCLE3' | ||
| version = '0.7.2' | ||
|
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| homepage = 'https://muscle3.readthedocs.io/en/latest/index.html' | ||
|
|
||
| description = """MUSCLE3 allows connecting multiple simulation models | ||
| together into a multiscale simulation. Simulation models can be as | ||
| simple as a single Python file, or as complex as a combination of | ||
| multiple separate simulation codes written in C++ or Fortran, and | ||
| running on an HPC machine.""" | ||
|
|
||
| toolchain = {'name': 'intel', 'version': '2023b'} | ||
| toolchainopts = {'usempi': True} | ||
|
|
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| source_urls = ['https://github.com/multiscale/%(namelower)s/archive/refs/tags/'] | ||
| sources = ['%(version)s.tar.gz'] | ||
| checksums = ['9596899f4a576d4ca80cc54c4cd458aac25ef0038a97843c76cec60a7105f779'] | ||
|
|
||
| builddependencies = [ | ||
| ('googletest', '1.14.0'), | ||
| ] | ||
|
|
||
| dependencies = [ | ||
| ('msgpack-c', '6.0.0'), | ||
| ('zlib', '1.2.13'), | ||
| ('Python', '3.11.5'), | ||
| ('SciPy-bundle', '2023.12'), | ||
| ('QCG-PilotJob', '0.13.1'), | ||
| # ('ruamel.yaml', '0.17.40'), | ||
| ('PyYAML', '6.0.1'), | ||
| ('matplotlib', '3.8.2'), | ||
| ] | ||
|
|
||
| skipsteps = ['configure'] | ||
|
|
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| prebuildopts = 'msgpack_ROOT=$EBROOTMSGPACKMINC ' | ||
| preinstallopts = 'PREFIX=%(installdir)s ' | ||
| testopts = 'googletest_ROOT=$EBROOTGOOGLETEST' | ||
|
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| exts_defaultclass = 'PythonPackage' | ||
|
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| exts_default_options = { | ||
| 'source_urls': [PYPI_SOURCE], | ||
| 'use_pip': True, | ||
| 'download_dep_fail': True, | ||
| 'sanity_pip_check': True, | ||
| } | ||
|
|
||
| exts_list = [ | ||
| ('typing_extensions', '4.12.2', { | ||
| 'checksums': ['1a7ead55c7e559dd4dee8856e3a88b41225abfe1ce8df57b7c13915fe121ffb8'], | ||
| }), | ||
| ('msgpack', '1.0.8', { | ||
| 'checksums': ['95c02b0e27e706e48d0e5426d1710ca78e0f0628d6e89d5b5a5b91a5f12274f3'], | ||
| }), | ||
| ('click', '8.1.7', { | ||
| 'checksums': ['ca9853ad459e787e2192211578cc907e7594e294c7ccc834310722b41b9ca6de'], | ||
| }), | ||
| ('yatiml', '0.11.1', { | ||
| 'checksums': ['354cefe305e45a557eda18cd3adc7680a178b4a4ebf68606404bf967fb7a72af'], | ||
| }), | ||
| ('ymmsl', '0.13.1', { | ||
| 'checksums': ['42433d126aab6c53c8b60f1001dcdea94567deec32adff5df5a1f2e9e1792546'], | ||
| }), | ||
| ('netifaces', '0.11.0', { | ||
| 'checksums': ['043a79146eb2907edf439899f262b3dfe41717d34124298ed281139a8b93ca32'], | ||
| }), | ||
| ('muscle3', version, { | ||
| 'source_tmpl': '%(version)s.tar.gz', | ||
| 'source_urls': ['https://github.com/multiscale/muscle3/archive/refs/tags/'], | ||
| 'checksums': ['9596899f4a576d4ca80cc54c4cd458aac25ef0038a97843c76cec60a7105f779'], | ||
| }), | ||
| ] | ||
|
|
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| modextrapaths = { | ||
| 'MUSCLE3_HOME': '', | ||
| } | ||
|
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| sanity_check_paths = { | ||
| 'files': ['include/libmuscle.f90', | ||
| 'include/libmuscle.mod', | ||
| 'include/libmuscle/libmuscle.hpp', | ||
| 'include/ymmsl/ymmsl.hpp', | ||
| 'lib/libmuscle.a', | ||
| 'lib/libmuscle.%s' % SHLIB_EXT, | ||
| 'lib/libmuscle_fortran.a', | ||
| 'lib/libmuscle_fortran.%s' % SHLIB_EXT, | ||
| 'lib/libymmsl.a', | ||
| 'lib/libymmsl.%s' % SHLIB_EXT, | ||
| 'lib/libymmsl_fortran.a', | ||
| 'lib/libymmsl_fortran.%s' % SHLIB_EXT, | ||
| 'lib/pkgconfig/libmuscle.pc', | ||
| 'lib/pkgconfig/libmuscle_fortran.pc', | ||
| 'lib/pkgconfig/ymmsl.pc', | ||
| 'lib/pkgconfig/ymmsl_fortran.pc'], | ||
| 'dirs': ['bin', | ||
| 'include/libmuscle/mcp', | ||
| 'include/ymmsl', | ||
| 'lib/pkgconfig', | ||
| 'lib64'] | ||
| } | ||
|
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| moduleclass = 'tools' |