From fc31a2c5498e3f283e2ed63b4d8919483e6e275d Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Wed, 14 Oct 2020 09:21:13 +0200 Subject: [PATCH] new file: m/Molpro/Molpro-mpp-2020.1.2.linux_x86_64_openmp.eb --- ...Molpro-mpp-2020.1.2.linux_x86_64_openmp.eb | 23 +++++++++++++++++++ 1 file changed, 23 insertions(+) create mode 100644 m/Molpro/Molpro-mpp-2020.1.2.linux_x86_64_openmp.eb diff --git a/m/Molpro/Molpro-mpp-2020.1.2.linux_x86_64_openmp.eb b/m/Molpro/Molpro-mpp-2020.1.2.linux_x86_64_openmp.eb new file mode 100644 index 00000000..cd0e6308 --- /dev/null +++ b/m/Molpro/Molpro-mpp-2020.1.2.linux_x86_64_openmp.eb @@ -0,0 +1,23 @@ +# 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'