mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-08 07:52:11 +01:00
21 lines
516 B
Plaintext
21 lines
516 B
Plaintext
name = 'NAMD'
|
|
version = '2.10b1'
|
|
versionsuffix = '-ibverbs'
|
|
|
|
homepage = 'http://www.ks.uiuc.edu/Research/namd/'
|
|
description = """NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems."""
|
|
|
|
toolchain = {'name': 'ictce', 'version': '5.5.0'}
|
|
toolchainopts = {'opt': True, 'pic': True}
|
|
|
|
sources = ['NAMD_%(version)s_Source.tar.gz']
|
|
|
|
dependencies = [
|
|
('Tcl', '8.5.16'),
|
|
('FFTW', '3.3.4'),
|
|
]
|
|
|
|
charm_arch = "net-linux-x86_64 ibverbs"
|
|
|
|
moduleclass = 'chem'
|