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science/erkale: chase libXC 6.0.0
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Patch from
<susilehtola/erkale@d507f5c>.

PR:		267358
Approved by:	yuri (maintainer)
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thierry-FreeBSD committed Oct 26, 2022
1 parent 33f3c23 commit fb5d842
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Showing 2 changed files with 39 additions and 1 deletion.
2 changes: 1 addition & 1 deletion science/erkale/Makefile
@@ -1,6 +1,6 @@
PORTNAME= erkale
DISTVERSION= g20220405
PORTREVISION= 3
PORTREVISION= 4
CATEGORIES= science

MAINTAINER= yuri@FreeBSD.org
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38 changes: 38 additions & 0 deletions science/erkale/files/patch-src_dftfuncs.cpp
@@ -0,0 +1,38 @@
--- src/dftfuncs.cpp.orig 2022-04-05 18:34:51 UTC
+++ src/dftfuncs.cpp
@@ -434,7 +434,7 @@ double exact_exchange(int func_id) {
}


-#if XC_MAJOR_VERSION >= 6
+#if XC_MAJOR_VERSION > 6
switch(xc_hyb_type(&func)) {
case(XC_HYB_HYBRID):
f=xc_hyb_exx_coef(&func);
@@ -480,7 +480,7 @@ bool is_supported(int func_id) {
throw std::runtime_error(oss.str());
}
// Get flag
-#if XC_MAJOR_VERSION >= 6
+#if XC_MAJOR_VERSION > 6
switch(xc_hyb_type(&func)) {
case(XC_HYB_SEMILOCAL):
case(XC_HYB_HYBRID):
@@ -514,7 +514,7 @@ bool is_range_separated(int func_id, bool check) {
oss << "Functional "<<func_id<<" not found!";
throw std::runtime_error(oss.str());
}
-#if XC_MAJOR_VERSION >= 6
+#if XC_MAJOR_VERSION > 6
ans=(xc_hyb_type(&func) == XC_HYB_CAM);
#else
// Get flag
@@ -571,7 +571,7 @@ void range_separation(int func_id, double & omega, dou
xc_func_set_ext_params(&func, pars.memptr());
}

-#if XC_MAJOR_VERSION >= 6
+#if XC_MAJOR_VERSION > 6
switch(xc_hyb_type(&func)) {
case(XC_HYB_HYBRID):
case(XC_HYB_CAM):

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