From 7d53cf074a6e5e9ab0ff8f74efac5b37bc0f46ad Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Tue, 3 Mar 2020 08:24:28 +0100 Subject: [PATCH] new file: a/ANSYS/ANSYS-20.1-intel-2017c.eb modified: p/PSI4/PSI4-1.3.2-intel-2017c-Py-3.6.eb --- a/ANSYS/ANSYS-20.1-intel-2017c.eb | 21 +++++++++++++++++++++ p/PSI4/PSI4-1.3.2-intel-2017c-Py-3.6.eb | 4 ++-- 2 files changed, 23 insertions(+), 2 deletions(-) create mode 100644 a/ANSYS/ANSYS-20.1-intel-2017c.eb diff --git a/a/ANSYS/ANSYS-20.1-intel-2017c.eb b/a/ANSYS/ANSYS-20.1-intel-2017c.eb new file mode 100644 index 00000000..beaa8b9f --- /dev/null +++ b/a/ANSYS/ANSYS-20.1-intel-2017c.eb @@ -0,0 +1,21 @@ +# IT4Innovations 2019 + +name = 'ANSYS' +version = '20.1' + +homepage = 'http://www.ansys.com' +description = """ANSYS simulation software enables organizations to confidently predict + how their products will operate in the real world. We believe that every product is + a promise of something greater. """ + +toolchain = {'name': 'intel', 'version': '2017c'} + +# create a zip file from the 3 install iso files. +# make sure all files of the iso's are in the same directory. +sources = ['ANSYS-20.1.tar.gz'] + +import os +license_server = os.getenv('EB_ANSYS_LICENSE_SERVER', 'license.it4i.cz') +license_server_port = os.getenv('EB_ANSYS_LICENSE_SERVER_PORT', '2325:1055') + +moduleclass = 'tools' diff --git a/p/PSI4/PSI4-1.3.2-intel-2017c-Py-3.6.eb b/p/PSI4/PSI4-1.3.2-intel-2017c-Py-3.6.eb index a49c5bfa..0ed8a499 100644 --- a/p/PSI4/PSI4-1.3.2-intel-2017c-Py-3.6.eb +++ b/p/PSI4/PSI4-1.3.2-intel-2017c-Py-3.6.eb @@ -25,7 +25,7 @@ dependencies = [ # Tried with intel/201{7,8}b, and versions 1.1.12, and 1.2.1 # See in more details: https://github.com/PCMSolver/pcmsolver/issues/159 # ('PCMSolver', '1.2.1'), -# ('CheMPS2', '1.8.9'), + ('CheMPS2', '1.8.9'), ('HDF5', '1.10.6', '-parallel'), # Tests are failing with pytest 3.9.2 ('pytest', '5.3.5', '', ('Py', '3.6')), @@ -46,7 +46,7 @@ configopts = '-DENABLE_MPI=ON -DENABLE_PLUGINS=ON -DENABLE_XHOST=OFF ' configopts += '-DPYMOD_INSTALL_LIBDIR=/python3.6/site-packages ' # Add bundled (downloaded) packages # -DENABLE_simint=ON does not work with intel/2018, so have to make with GCCcore -configopts += '-DENABLE_dkh=ON -DENABLE_gdma=ON -DENABLE_resp=ON -DENABLE_snsmp2=ON -DENABLE_CheMPS2=ON -DCMAKE_DISABLE_FIND_PACKAGE_CheMPS2=ON ' +configopts += '-DENABLE_dkh=ON -DENABLE_gdma=ON -DENABLE_resp=ON -DENABLE_snsmp2=ON -DENABLE_CheMPS2=ON ' # runtest uses ctest, and some of the thests have to be manually local_compared # to the reference output (those tests are marked failed)