# IT4Innovations 2021
# LK

easyblock='Binary'

name = "Schrodinger"
version = "2021-3"
versionsuffix = "_Linux-x86_64"

homepage = 'http://www.schrodinger.com/'
description = """ Schrödinger aims to provide integrated software solutions and services
 that truly meet its customers’ needs. We want to empower researchers around the world to
 achieve their goals of improving human health and quality of life through advanced local_computational
 techniques that transform the way chemists design local_compounds and materials. """

toolchain = SYSTEM

#Schrodinger_Suites_2021-2_Linux-x86_64.tar
sources = ['%(name)s_Suites_%(version)s%(versionsuffix)s.tar']

#  -d <distribution-dir>... directory containing the install files
#  -m ..................... manual mode (no automatically included modules)
#  -b ..................... batch install
#  -s <SCHRODINGER> ....... installation directory
#  -k <tmpdir> ............ scratch directory
#  -t <thirdparty-dir> .... install directory for third-party modules
install_cmd = 'tar xfv Schrodinger_Suites_%(version)s%(versionsuffix)s.tar && '
install_cmd += 'cd Schrodinger_Suites_%(version)s%(versionsuffix)s && '
install_cmd += './INSTALL -d . -s %(installdir)s -k %(builddir)s -t %(installdir)s/thirdparty -b *'

modextrapaths = {'SCHRODINGER': ''}

modextravars = {'SCHROD_LICENSE_FILE': '/apps/licenses/Schrodinger/license.dat'}

sanity_check_paths = {
    'files': ["maestro", "desmond" ],
    'dirs': ["thirdparty"]
}

moduleclass = 'chem'