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new file: m/Molpro/Molpro-mpp-2020.2.linux_x86_64_openmp.eb

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Lukáš Krupčík 2021-02-22 09:18:39 +01:00
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# IT4Innovations 2020
# LK
name = 'Molpro'
version = '2020.1.2'
versionprefix = 'mpp-'
versionsuffix = '.linux_x86_64_openmp'
homepage = 'https://www.molpro.net'
description = """Molpro is a local_complete system of ab initio programs for molecular electronic structure calculations."""
toolchain = SYSTEM
# no source URL available, requires registration to download
sources = ['%(namelower)s-%(versionprefix)s%(version)s%(versionsuffix)s.sh']
precompiled_binaries = True
# license file - uncomment if a licence file is supplied by your site and
# is valid for all users - the value of license_file may have to be changed
# license_file = HOME + '/licenses/%(name)s/license.lic'
moduleclass = 'chem'