Merge branch 'it4i-salomon'

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'

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)