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cdb10c2980
new file: d/deepdiff/deepdiff-4.0.6-Py-3.7.eb new file: n/networkx/networkx-2.3-Py-3.7.eb new file: p/PSI4/PSI4-1.3.2-intel-2020a-Py-3.6.eb new file: p/PSI4/PSI4-1.3.2-intel-2020a-Py-3.7.eb new file: p/Pint/Pint-0.11-Py-3.7.eb new file: p/pydantic/pydantic-1.4-Py-3.7.eb modified: s/ShiftX2/ShiftX2-1.13.eb deleted: n/networkx/networkx-2.3-Py-2.7.eb
26 lines
539 B
Plaintext
26 lines
539 B
Plaintext
# JH 2020
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# make manually after copying
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easyblock = 'Tarball'
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name = 'ShiftX2'
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version = '1.13'
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homepage = 'http://www.shiftx2.ca/index.html'
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description = """SHIFTX2 predicts both the backbone and side chain 1H, 13C and 15N
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chemical shifts for proteins using their structural (PDB) coordinates as input."""
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toolchain = SYSTEM
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source_urls = ['http://www.shiftx2.ca/download']
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sources = ['shiftx2-v113-linux-20180808.tgz']
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dependencies = [
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('Java', '1.8.0_202', '', True),
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]
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modextrapaths = {'PATH': ''}
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moduleclass = 'chem'
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