Couple of enhancements, not really game changers

Golden_Repo/q/qrupdate/qrupdate-1.1.2-GCCcore-11.2.0.eb

@@ -13,10 +13,8 @@ source_urls = [SOURCEFORGE_SOURCE]
 sources = [SOURCE_TAR_GZ]
 patches = ['%(name)s-%(version)s_makeconf.patch']
 checksums = [
-    # qrupdate-1.1.2.tar.gz
-    'e2a1c711dc8ebc418e21195833814cb2f84b878b90a2774365f0166402308e08',
-    # qrupdate-1.1.2_makeconf.patch
-    'b1873ccac7cf5073739988817f13d492f9438cb7e00b0eaf4e09005ea5ad90a9',
+    'e2a1c711dc8ebc418e21195833814cb2f84b878b90a2774365f0166402308e08',  # qrupdate-1.1.2.tar.gz
+    'b1873ccac7cf5073739988817f13d492f9438cb7e00b0eaf4e09005ea5ad90a9',  # qrupdate-1.1.2_makeconf.patch
 ]
 
 builddependencies = [

acls.yml

@@ -610,9 +610,6 @@ software:
   - name: 'NASM'
     owner: 'strube1'
     base: True
-  - name: 'NAMD'
-    owner: 'strube1'
-    mpi: True
   - name: 'NCCL'
     owner: 'strube1'
     base: True

bin/gcc11ize.py

@@ -39,20 +39,24 @@ releases = {
     'gc':                       ['8.0.2',           '8.2.0'],
     'GCC':                      ['10.3.0',          '11.2.0'],
     'gcccoremkl':               ['10.3.0-2021.2.0', '11.2.0-2021.4.0'],
+    'gnuplot':                  ['5.2.8',           '5.4.2'],
     'Gdk-Pixbuf':               ['2.40.0',          '2.42.6'],
     'GEOS':                     ['3.8.1',           '3.9.1'],
     'Ghostscript':              ['9.52',            '9.54.0'],
     'GLib':                     ['2.64.4',          '2.69.1'],
+    'GLPK':                     ['4.65',            '5.0'],
     'GMP':                      ['6.2.0',           '6.2.1'],
     'Go':                       ['1.15.3',          '1.17.3'],
     'GObject-Introspection':    ['1.64.1',          '1.68.0'],
     'gomkl':                    ['2021',            '2021b'],
     'gpsmkl':                   ['2021',            '2021b'],
     'gpsmpi':                   ['2021',            '2021b'],
+    'GraphicsMagick':           ['1.3.35',          '1.3.36'],
     'GSL':                      ['2.6',             '2.7'],
     'GTK+':                     ['3.24.17',         '3.24.23'],
     'GTS':                      ['0.7.6',           '0.7.6'],
     'HarfBuzz':                 ['2.6.7',           '2.8.2'],
+    'HDF5':                     ['1.10.6',          '1.12.1'],
     'HTSLib':                   ['1.1.4',           '1.1.4'],
     'ICU':                      ['67.1',            '70.1'],
     'ImageMagick':              ['7.0.10-25',       '7.1.0.13'],
@@ -97,6 +101,7 @@ releases = {
     'pybind11':                 ['2.5.0',           '2.7.1'],
     'pyproj':                   ['2.6.1.post1',     '3.3.0'],
     'Python':                   ['3.8.5',           '3.9.6'],
+    'Qhull':                    ['2020.1',          '2020.2'],
     'Qt5':                      ['5.14.2',          '5.15.2'],
     'RDFlib':                   ['5.0.0',           '6.0.2'],
     're2c':                     ['1.3',             '2.2'],

bin/table_generator

@@ -46,10 +46,13 @@ ignored_pkgs = [
     'basemap', # Deprecated in favour of Cartopy
     'iccifort', # Renamed to intel-compilers
     'itstool', # Renamed to ITSTool
+    'kim-api', # Moved to GCCcore
     'libaec', # Not used upstream in the dependencies that need it, so let's try to stay vanilla until asked for it
+    'libctl', # Not compatible with latest guile, and no one has used in JUWELS or JURECA in the last months
     'libfabric', # Not needed, since we won't install OpenMPI in JURECA booster (only place where it was relevant)
     'meld', # meld is broken (segmentation fault) and it pulls in too much packages for something not so important
     'nvptx-tools', # Integrated in GCC
+    'ospcommon', # Deprecated in favour of rkcommon
     'parallel-netcdf', # Renamed to PnetCDF
     'scikit', # Split in multiple packages
     'unzip', # Renamed to UnZip