From fa3a119c9c98a35a6e7d699723103447f11b280b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Mon, 2 Mar 2020 13:30:00 +0100 Subject: [PATCH] modified: p/PSI4/PSI4-1.3.2-intel-2017c-Py-3.6.eb --- p/PSI4/PSI4-1.3.2-intel-2017c-Py-3.6.eb | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) 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 6733a462..a49c5bfa 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 +25,8 @@ 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')), ('networkx', '2.1', '', ('Py', '3.6')), @@ -45,7 +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' +configopts += '-DENABLE_dkh=ON -DENABLE_gdma=ON -DENABLE_resp=ON -DENABLE_snsmp2=ON -DENABLE_CheMPS2=ON -DCMAKE_DISABLE_FIND_PACKAGE_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)