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new file: m/Molpro/Molpro-mpp-2022.2.2.linux_x86_64_sockets.eb modified: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb deleted: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-vtst-karolina.eb.bak_20220616084146_64543
25 lines
790 B
Plaintext
25 lines
790 B
Plaintext
# IT4Innovations 2022
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# LK JK
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name = 'Molpro'
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version = '2022.2.2'
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versionprefix = 'mpp-'
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versionsuffix = '.linux_x86_64_mpipr'
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homepage = 'https://www.molpro.net'
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description = """Molpro is a local_complete system of ab initio programs for molecular electronic structure calculations."""
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toolchain = SYSTEM
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# no source URL available, requires registration to download
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sources = ['%(namelower)s-%(versionprefix)s%(version)s%(versionsuffix)s.sh']
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checksums = ['0dd0ebb1f20cb507c627cfd1392471fb161298a5b145941885f80823706202d3']
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precompiled_binaries = True
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# license file - uncomment if a licence file is supplied by your site and
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# is valid for all users - the value of license_file may have to be changed
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# license_file = HOME + '/licenses/%(name)s/license.lic'
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moduleclass = 'chem'
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