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modified: g/GROMACS/GROMACS-2022-fosscuda-2020b.eb

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Jakub Kropacek 2022-05-05 20:39:38 +02:00 committed by easybuild
parent da1ca8b685
commit b33d8a7f34
1 changed files with 13 additions and 13 deletions
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g/GROMACS/GROMACS-2022-fosscuda-2020b.eb
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@ -50,21 +50,21 @@ dependencies = [
# ('PLUMED', local_plum_ver),
]
exts_defaultclass = 'PythonPackage'
#exts_defaultclass = 'PythonPackage'
exts_default_options = {
'source_urls': [PYPI_SOURCE],
'use_pip': True,
'download_dep_fail': True,
'sanity_pip_check': True,
}
#exts_default_options = {
# 'source_urls': [PYPI_SOURCE],
# 'use_pip': True,
# 'download_dep_fail': True,
# 'sanity_pip_check': True,
#}
exts_list = [
('gmxapi', '0.2.0', {
'preinstallopts': "export GMXTOOLCHAINDIR=%(installdir)s/share/cmake/gromacs_mpi && ",
'checksums': ['3954bf123da12fc60bcfaeed8263f5e2d3e16e5136c2bb5c8207b20fa7406788'],
}),
]
#exts_list = [
# ('gmxapi', '0.2.0', {
# 'preinstallopts': "export GMXTOOLCHAINDIR=%(installdir)s/share/cmake/gromacs_mpi && ",
# 'checksums': ['3954bf123da12fc60bcfaeed8263f5e2d3e16e5136c2bb5c8207b20fa7406788'],
# }),
#]
modextrapaths = {
'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages',