add easyconfig libxc

Custom_Hooks/eb_hooks.py

@@ -64,6 +64,7 @@ TWEAKABLE_DEPENDENCIES = {
     'CUDA': '11.5',
     'Mesa': ('OpenGL', '2021b'),
     'libglvnd': ('OpenGL', '2021b'),
+    'libxc': '5.1.7',
     'glu': ('OpenGL', '2021b'),
     'glew': ('OpenGL', '2021b'),
 }
@@ -202,6 +203,7 @@ def inject_site_contact(ec, site_contacts):
     #         ec[key] = value
     return ec
 
+
 def parse_hook(ec, *args, **kwargs):
     """Custom parse hook to manage installations intended for JSC systems."""
 
@@ -253,6 +255,7 @@ def parse_hook(ec, *args, **kwargs):
                 "  eb --robot=$EASYBUILD_ROBOT:$EBROOTEASYBUILD/easybuild/easyconfigs --try-update-deps ...."
             )
 
+
 def tweak_dependencies(ec):
     for dep_type in ["dependencies", "builddependencies"]:
         dependencies = ec[dep_type]
@@ -282,12 +285,14 @@ def tweak_dependencies(ec):
 
     return ec
 
+
 def tweak_moduleclass(ec):
     if ec['name'] in SIDECOMPILERS:
         ec['moduleclass'] = 'sidecompiler'
 
     return ec
 
+
 def inject_site_contact_and_user_labels(ec):
     ec_dict = ec.asdict()
     # Check where installations are going to go and add appropriate site contact
@@ -322,6 +327,7 @@ def inject_site_contact_and_user_labels(ec):
 
     return ec
 
+
 def inject_gpu_property(ec):
     ec_dict = ec.asdict()
     # Check if CUDA is in the dependencies, if so add the GPU Lmod tag
@@ -340,6 +346,7 @@ def inject_gpu_property(ec):
 
     return ec
 
+
 def inject_hidden_property(ec):
     ec_dict = ec.asdict()
     # Check if the module should be installed as hidden
@@ -354,6 +361,7 @@ def inject_hidden_property(ec):
             )
     return ec
 
+
 def inject_modaltsoftname(ec):
     ec_dict = ec.asdict()
     # Check if we need to use 'modaltsoftname'
@@ -368,6 +376,7 @@ def inject_modaltsoftname(ec):
             )
     return ec
 
+
 def inject_ucx_features(ec):
     # UCX require to load UCX-settings
     ec_dict = ec.asdict()
@@ -388,6 +397,7 @@ end
 
     return ec
 
+
 def inject_mpi_features(ec):
     ec_dict = ec.asdict()
     # MPIs are a family (in the Lmod sense) and require to load mpi-settings
@@ -409,6 +419,7 @@ family("mpi")
 
     return ec
 
+
 def inject_compiler_features(ec):
     ec_dict = ec.asdict()
     # Compilers are are a family (in the Lmod sense)
@@ -431,6 +442,7 @@ def inject_compiler_features(ec):
 
     return ec
 
+
 def pre_ready_hook(self, *args, **kwargs):
     "When we are building something, do some checks for bad behaviour"
     ec = self.cfg

Golden_Repo/a/ABINIT/ABINIT-9.6.2-gpsmkl-2021b.eb

@@ -21,7 +21,7 @@ builddependencies = [
     ('Python', '3.9.6'),
 ]
 dependencies = [
-    ('libxc', '5.1.6'),
+    ('libxc', '5.1.7'),
     ('netCDF', '4.8.1'),
     ('netCDF-Fortran', '4.5.3'),
     ('HDF5', '1.12.1'),

Golden_Repo/a/ABINIT/ABINIT-9.6.2-intel-para-2021b.eb

@@ -21,7 +21,7 @@ builddependencies = [
     ('Python', '3.9.6'),
 ]
 dependencies = [
-    ('libxc', '5.1.6'),
+    ('libxc', '5.1.7'),
     ('netCDF', '4.8.1'),
     ('netCDF-Fortran', '4.5.3'),
     ('HDF5', '1.12.1'),

Golden_Repo/l/libxc/libxc-5.1.6-GCC-11.2.0.eb → Golden_Repo/l/libxc/libxc-5.1.7-GCC-11.2.0.eb

 easyblock = 'CMakeMake'
 
 name = 'libxc'
-version = '5.1.6'
+version = '5.1.7'
 
 homepage = 'https://www.tddft.org/programs/libxc'
 description = """Libxc is a library of exchange-correlation functionals for density-functional theory.
@@ -12,7 +12,7 @@ toolchain = {'name': 'GCC', 'version': '11.2.0'}
 source_urls = [
     'https://www.tddft.org/programs/libxc/down.php?file=%(version)s/']
 sources = [SOURCE_TAR_GZ]
-checksums = ['0d0496513114ed84987c32649912f9a65d234696dab13a4b00ce8c420bfc0a1d']
+checksums = ['1a818fdfe5c5f74270bc8ef0c59064e8feebcd66b8f642c08aecc1e7d125be34']
 
 builddependencies = [
     ('CMake', '3.21.1'),

Golden_Repo/l/libxc/libxc-5.1.6-intel-compilers-2021.4.0.eb → Golden_Repo/l/libxc/libxc-5.1.7-intel-compilers-2021.4.0.eb

 easyblock = 'CMakeMake'
 
 name = 'libxc'
-version = '5.1.6'
+version = '5.1.7'
 
 homepage = 'https://www.tddft.org/programs/libxc'
 description = """Libxc is a library of exchange-correlation functionals for density-functional theory.
@@ -12,7 +12,7 @@ toolchain = {'name': 'intel-compilers', 'version': '2021.4.0'}
 source_urls = [
     'https://www.tddft.org/programs/libxc/down.php?file=%(version)s/']
 sources = [SOURCE_TAR_GZ]
-checksums = ['02e4615a22dc3ec87a23efbd3d9be5bfad2445337140bad1720699571c45c3f9']
+checksums = ['1a818fdfe5c5f74270bc8ef0c59064e8feebcd66b8f642c08aecc1e7d125be34']
 
 builddependencies = [
     ('CMake', '3.21.1'),