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MOLCAS_LICENSE instructions added
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sassy committed Oct 30, 2024
1 parent 172140f commit c5aae20
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5 changes: 4 additions & 1 deletion easybuild/easyconfigs/m/Molcas/Molcas-84-intel-2023a.eb
Original file line number Diff line number Diff line change
Expand Up @@ -28,6 +28,9 @@ https://www.molcas.org/order.html
how to order and here:
https://www.molcas.org/documentation/manual/node14.html#SECTION03114000000000000000
how to download the tarball.
The path to the licence.dat file needs to be set:
export MOLCAS_LICENSE=/path/to/file
to work!
'''

sources = ['%(namelower)s%(version)s.tar.gz']
Expand Down Expand Up @@ -85,7 +88,7 @@ sanity_check_paths = {

modextravars = {
'MOLCAS': '%(installdir)s/%(namelower)s%(version)s',
'MOLCAS_LICENSE': '/rds/general/user/jsassman/home/easybuild/molcas/source/',
'MOLCAS_LICENSE': '/path/to/file',
}

moduleclass = 'chem'

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