diff --git a/science/erkale/Makefile b/science/erkale/Makefile index 776388757f96f..5a47285ac273a 100644 --- a/science/erkale/Makefile +++ b/science/erkale/Makefile @@ -1,6 +1,6 @@ PORTNAME= erkale DISTVERSION= g20220405 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/erkale/files/patch-src_dftfuncs.cpp b/science/erkale/files/patch-src_dftfuncs.cpp new file mode 100644 index 0000000000000..7961ddc433b2c --- /dev/null +++ b/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 "<= 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):