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new file: o/OpenBabel/OpenBabel-2.4.1-GCCcore-6.3.0-Python-3.7.3.eb new file: o/OpenBabel/OpenBabel-2.4.9-GCCcore-6.3.0-Python-3.7.3.eb new file: s/SWIG/SWIG-3.0.12-GCCcore-6.3.0-Python-3.7.3.eb new file: s/Schrodinger/Schrodinger_2019-2_Linux-x86_64.eb
39 lines
1.4 KiB
Plaintext
39 lines
1.4 KiB
Plaintext
# IT4Innovations 2019
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easyblock='Binary'
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name = "Schrodinger"
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version = "2019-2"
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versionsuffix = "_Linux-x86_64"
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homepage = 'http://www.schrodinger.com/'
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description = """ Schrödinger aims to provide integrated software solutions and services
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that truly meet its customers’ needs. We want to empower researchers around the world to
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achieve their goals of improving human health and quality of life through advanced computational
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techniques that transform the way chemists design compounds and materials. """
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toolchain = {'name': 'dummy', 'version': 'dummy'}
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sources = ['%(name)s_Suites_%(version)s%(versionsuffix)s.tar']
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# -d <distribution-dir>... directory containing the install files
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# -m ..................... manual mode (no automatically included modules)
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# -b ..................... batch install
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# -s <SCHRODINGER> ....... installation directory
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# -k <tmpdir> ............ scratch directory
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# -t <thirdparty-dir> .... install directory for third-party modules
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install_cmd = 'tar xfv Schrodinger_Suites_%(version)s%(versionsuffix)s.tar && '
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install_cmd += 'cd Schrodinger_Suites_%(version)s%(versionsuffix)s && '
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install_cmd += './INSTALL -d . -s %(installdir)s -k %(builddir)s -t %(installdir)s/thirdparty -b *'
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modextrapaths = {'SCHRODINGER': ''}
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modextravars = {'SCHROD_LICENSE_FILE': '/apps/licenses/Schrodinger/license.dat'}
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sanity_check_paths = {
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'files': ["maestro", "strike", "desmond" ],
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'dirs': ["thirdparty"]
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}
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moduleclass = 'chem'
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