From 29b7f062b5c85ec2436e5626150b3f69fc223ca8 Mon Sep 17 00:00:00 2001 From: Lukas Krupcik Date: Wed, 3 Apr 2024 09:56:28 +0200 Subject: [PATCH] new file: m/Molpro/Molpro-mpp-2024.1.0.linux_x86_64_mpipr.eb --- .../Molpro-mpp-2024.1.0.linux_x86_64_mpipr.eb | 24 +++++++++++++++++++ 1 file changed, 24 insertions(+) create mode 100644 m/Molpro/Molpro-mpp-2024.1.0.linux_x86_64_mpipr.eb diff --git a/m/Molpro/Molpro-mpp-2024.1.0.linux_x86_64_mpipr.eb b/m/Molpro/Molpro-mpp-2024.1.0.linux_x86_64_mpipr.eb new file mode 100644 index 00000000..19cea008 --- /dev/null +++ b/m/Molpro/Molpro-mpp-2024.1.0.linux_x86_64_mpipr.eb @@ -0,0 +1,24 @@ +# IT4Innovations +# LK 2024 + +name = 'Molpro' +version = '2024.1.0' +versionprefix = 'mpp-' +versionsuffix = '.linux_x86_64_mpipr' + +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'] +checksums = ['30ee6b4a807481ca1a118dfe16a00fae1cff50ce3b872cbfe49aa0f4702d13ad'] + +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'