diff --git a/Custom_Hooks/eb_hooks.py b/Custom_Hooks/eb_hooks.py
index 2fccb52686fc166b9713ccfa6c0e4546f88322cc..8730380e38d375a5dfc7beaf0cff114257f66310 100644
--- a/Custom_Hooks/eb_hooks.py
+++ b/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
@@ -337,9 +343,10 @@ def inject_gpu_property(ec):
else:
ec[key] = value
ec.log.info("[parse hook] Injecting gpu as Lmod arch property")
-
+
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
@@ -493,7 +505,7 @@ def pre_ready_hook(self, *args, **kwargs):
override_mpi_check = os.getenv("JSC_OVERRIDE_MPI_CHECK")
if not override_mpi_check:
if is_mpi and GOLDEN_REPO not in path_to_ec and 'Overlays' not in path_to_ec \
- and os.getenv('USER') not in 'swmanage':
+ and os.getenv('USER') not in 'swmanage':
print_warning(
"\nYou are attempting to install a non-system MPI implementation (%s), "
"this is very likely to lead to severe performance degradation. Please "
diff --git a/Golden_Repo/a/ABINIT/ABINIT-9.6.2-gpsmkl-2021b.eb b/Golden_Repo/a/ABINIT/ABINIT-9.6.2-gpsmkl-2021b.eb
index df228f3345eba0d4dfbb3086db19d985f0b968d0..bf263b4a0eeb3e218e98a8e17138d3bac615119e 100644
--- a/Golden_Repo/a/ABINIT/ABINIT-9.6.2-gpsmkl-2021b.eb
+++ b/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'),
diff --git a/Golden_Repo/a/ABINIT/ABINIT-9.6.2-intel-para-2021b.eb b/Golden_Repo/a/ABINIT/ABINIT-9.6.2-intel-para-2021b.eb
index c1c5d453c4311ae4dc00a041b59b49cb093339ea..8275e379aff830c5c251650640a14555cf3f2525 100644
--- a/Golden_Repo/a/ABINIT/ABINIT-9.6.2-intel-para-2021b.eb
+++ b/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'),
diff --git a/Golden_Repo/l/libxc/libxc-5.1.6-GCC-11.2.0.eb b/Golden_Repo/l/libxc/libxc-5.1.7-GCC-11.2.0.eb
similarity index 93%
rename from Golden_Repo/l/libxc/libxc-5.1.6-GCC-11.2.0.eb
rename to Golden_Repo/l/libxc/libxc-5.1.7-GCC-11.2.0.eb
index bb0c4b5dec515462718a80d1d63911e91732be71..66e7b5570bb06136234c8c6163cf3a8e49fd5906 100644
--- a/Golden_Repo/l/libxc/libxc-5.1.6-GCC-11.2.0.eb
+++ b/Golden_Repo/l/libxc/libxc-5.1.7-GCC-11.2.0.eb
@@ -1,7 +1,7 @@
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'),
diff --git a/Golden_Repo/l/libxc/libxc-5.1.6-intel-compilers-2021.4.0.eb b/Golden_Repo/l/libxc/libxc-5.1.7-intel-compilers-2021.4.0.eb
similarity index 93%
rename from Golden_Repo/l/libxc/libxc-5.1.6-intel-compilers-2021.4.0.eb
rename to Golden_Repo/l/libxc/libxc-5.1.7-intel-compilers-2021.4.0.eb
index b41322792e8c6592d6a2e8071517dcc86ace323a..4043b4cce6de7287f030ca360367075bf14c7712 100644
--- a/Golden_Repo/l/libxc/libxc-5.1.6-intel-compilers-2021.4.0.eb
+++ b/Golden_Repo/l/libxc/libxc-5.1.7-intel-compilers-2021.4.0.eb
@@ -1,7 +1,7 @@
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'),