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| author | Thierry Thomas <thierry@FreeBSD.org> | 2022-10-24 17:38:37 +0000 |
|---|---|---|
| committer | Thierry Thomas <thierry@FreeBSD.org> | 2022-10-26 17:58:26 +0000 |
| commit | 3a06165f14666b9a5e1eca2e292fe96a895dcbd2 (patch) | |
| tree | 651d6a3676c6cc03a23cc798340737bf2a5aa3e9 | |
| parent | fb5d8423ae1d43ff5012df1e37ba8b8c843a69fe (diff) | |
| download | ports-3a06165f14666b9a5e1eca2e292fe96a895dcbd2.tar.gz ports-3a06165f14666b9a5e1eca2e292fe96a895dcbd2.zip | |
science/helfem: chase libXC 6.0.0
Patch from
<https://github.com/susilehtola/HelFEM/commit/b63feb20d77c317ca467a67628f92b0032698b51>.
PR: 267359
Approved by: yuri (maintainer)
| -rw-r--r-- | science/helfem/Makefile | 2 | ||||
| -rw-r--r-- | science/helfem/files/patch-src_general_dftfuncs.cpp | 38 |
2 files changed, 39 insertions, 1 deletions
diff --git a/science/helfem/Makefile b/science/helfem/Makefile index 6f9725df90f2..ab460cd4002f 100644 --- a/science/helfem/Makefile +++ b/science/helfem/Makefile @@ -1,6 +1,6 @@ PORTNAME= helfem DISTVERSION= g20210912 -PORTREVISION= 5 +PORTREVISION= 6 CATEGORIES= science # chemistry PATCH_SITES= https://github.com/${GH_ACCOUNT}/${GH_PROJECT}/commit/ diff --git a/science/helfem/files/patch-src_general_dftfuncs.cpp b/science/helfem/files/patch-src_general_dftfuncs.cpp new file mode 100644 index 000000000000..999399167b70 --- /dev/null +++ b/science/helfem/files/patch-src_general_dftfuncs.cpp @@ -0,0 +1,38 @@ +--- src/general/dftfuncs.cpp.orig 2021-09-12 09:32:14 UTC ++++ src/general/dftfuncs.cpp +@@ -388,7 +388,7 @@ double exact_exchange(int func_id) { + throw std::runtime_error(oss.str()); + } + +-#if XC_MAJOR_VERSION < 6 ++#if XC_MAJOR_VERSION < 7 + switch(func.info->family) + { + #ifdef XC_FAMILY_HYB_LDA +@@ -431,7 +431,7 @@ 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): +@@ -463,7 +463,7 @@ void is_range_separated(int func_id, bool & erf, bool + throw std::runtime_error(oss.str()); + } + // Get flag +-#if XC_MAJOR_VERSION < 6 ++#if XC_MAJOR_VERSION < 7 + erf=(func.info->flags & XC_FLAGS_HYB_CAM) || (func.info->flags & XC_FLAGS_HYB_LC); + yukawa=(func.info->flags & XC_FLAGS_HYB_CAMY) || (func.info->flags & XC_FLAGS_HYB_LCY); + #else +@@ -507,7 +507,7 @@ void range_separation(int func_id, double & omega, dou + throw std::runtime_error(oss.str()); + } + +-#if XC_MAJOR_VERSION >= 6 ++#if XC_MAJOR_VERSION > 6 + switch(xc_hyb_type(&func)) { + case(XC_HYB_SEMILOCAL): + break; |