Merge branch 'it4i-barbora'

q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb

@@ -29,17 +29,17 @@ if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
 
 source_urls = [
     'https://www.quantum-espresso.org/rdm-download/488/v7-1/3adf3b73b84938d19f4b7ac856795acb/',
-    'https://github.com/dceresoli/qe-gipaw/releases/download/%(version)s/',
+#    'https://github.com/dceresoli/qe-gipaw/releases/download/%(version)s/',
     'https://github.com/wannier-developers/wannier90/archive/',
 ]
 sources = [
     'qe-%(version)s-ReleasePack.tar.gz',
-    'qe-gipaw-%(version)s.tar.gz',
+#    'qe-gipaw-%(version)s.tar.gz',
     {'filename': 'wannier90-3.1.0.tar.gz', 'download_filename': 'v3.1.0.tar.gz'},
 ]
 checksums = [
     'feacdbc67d084d55df464f989a916f20dfe11a50ccfda782573cdeed4fab3d3a',  # qe-7.1-ReleasePack.tar.gz
-    '486b60f38fad7363f81d346adc69de004692f50c9f6be59eee5152a717ca1513',  # qe-gipaw-7.1.tar.gz
+#    '486b60f38fad7363f81d346adc69de004692f50c9f6be59eee5152a717ca1513',  # qe-gipaw-7.1.tar.gz
     '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254',  # wannier90-3.1.0.tar.gz
 ]
 
@@ -59,11 +59,20 @@ dependencies = [
 configopts = 'FC=pgfortran F77=pgfortran F90=pgfortran CC=pgcc CXX=pgc++ '
 configopts += '-DQE_ENABLE_CUDA=ON -DQE_ENABLE_MPI_GPU_AWARE=ON '
 configopts += '-DNVFORTRAN_CUDA_VERSION=11.4 '
-configopts += '-DNVFORTRAN_CUDA_CC=80 '
+
+import os
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+    configopts += '-DNVFORTRAN_CUDA_CC=80 '
+elif os.environ.get("CLUSTERNAME") in ["BARBORA"]:
+    configopts += '-DNVFORTRAN_CUDA_CC=70 '
 
 # gipaw zatim neni portle na GPU
+<<<<<<< HEAD
+buildopts = 'all gwl xspectra couple epw w90 gipaw'
+=======
 buildopts = 'all gwl xspectra couple epw w90' # no rule to make target 'gipaw'
 # preinstallopts = ' FC=pgfortran F77=pgfortran F90=pgfortran CC=pgcc CXX=pgc++ ctest -j4 --output-on-failure -L unit && '
+>>>>>>> 29b78ea8b06f36251039ac323d3514a3ffa54caa
 
 # parallel build tends to fail
 parallel = 1