diff options
| author | Thierry Thomas <thierry@FreeBSD.org> | 2022-10-24 17:01:55 +0000 |
|---|---|---|
| committer | Thierry Thomas <thierry@FreeBSD.org> | 2022-10-26 17:58:25 +0000 |
| commit | 33f3c23490c31d982bf5c7d9a4c381e14510f5a1 (patch) | |
| tree | e5d89ac9d5b44428f43bd64eb6f765f0cc951d64 /science/abinit | |
| parent | 03d71457daf4199968677541f84614f3a4adedd3 (diff) | |
| download | ports-33f3c23490c31d982bf5c7d9a4c381e14510f5a1.tar.gz ports-33f3c23490c31d982bf5c7d9a4c381e14510f5a1.zip | |
science/abinit: fix with libXC 6.0.0
See <https://github.com/abinit/abinit/issues/55#issuecomment-1288757862>.
Note: this is fixed in soon-to-come ABINITv9.8. This patch is just in case
libXC is committed before.
PR: 267357
Approved by: yuri (maintainer)
Diffstat (limited to 'science/abinit')
| -rw-r--r-- | science/abinit/Makefile | 1 | ||||
| -rw-r--r-- | science/abinit/files/patch-shared_common_src_33__xc__lowlevel_libxc__tools.c | 35 | ||||
| -rw-r--r-- | science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c | 35 |
3 files changed, 71 insertions, 0 deletions
diff --git a/science/abinit/Makefile b/science/abinit/Makefile index ee08d0408c99..451d43bd23ae 100644 --- a/science/abinit/Makefile +++ b/science/abinit/Makefile @@ -1,5 +1,6 @@ PORTNAME= abinit DISTVERSION= 9.6.2 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/abinit/files/patch-shared_common_src_33__xc__lowlevel_libxc__tools.c b/science/abinit/files/patch-shared_common_src_33__xc__lowlevel_libxc__tools.c new file mode 100644 index 000000000000..a8a5148e399e --- /dev/null +++ b/science/abinit/files/patch-shared_common_src_33__xc__lowlevel_libxc__tools.c @@ -0,0 +1,35 @@ +--- shared/common/src/33_xc_lowlevel/libxc_tools.c.orig 2021-11-09 07:25:16 UTC ++++ shared/common/src/33_xc_lowlevel/libxc_tools.c +@@ -70,8 +70,8 @@ void xc_get_family_constants(int *xc_cst_family_unknow + *xc_cst_family_mgga = XC_FAMILY_MGGA; + *xc_cst_family_lca = XC_FAMILY_LCA; + *xc_cst_family_oep = XC_FAMILY_OEP; +-#if ( XC_MAJOR_VERSION > 5 ) +-/* ==== libXC v6.0 and later ==== */ ++#if ( XC_MAJOR_VERSION > 6 ) ++/* ==== After libXC v6.0 ==== */ + *xc_cst_family_hyb_gga = -11; + *xc_cst_family_hyb_mgga = -11; + #else +@@ -137,8 +137,8 @@ void xc_get_hybrid_constants(int *xc_cst_hyb_none, + int *xc_cst_hyb_double_hybrid, + int *xc_cst_hyb_mixture) + { +-#if ( XC_MAJOR_VERSION > 5 ) +-/* ==== libXC v6.0 and later ==== */ ++#if ( XC_MAJOR_VERSION > 6 ) ++/* ==== After libXC v6.0 ==== */ + *xc_cst_hyb_none = XC_HYB_NONE; + *xc_cst_hyb_fock = XC_HYB_FOCK; + *xc_cst_hyb_pt2 = XC_HYB_PT2; +@@ -348,8 +348,8 @@ void xc_func_set_density_threshold(XC(func_type) *xc_f + * =============================================================== + */ + int xc_func_is_hybrid_from_id(int func_id) +-#if ( XC_MAJOR_VERSION > 5 ) +-/* ==== libXC v6.0 and later ==== */ ++#if ( XC_MAJOR_VERSION > 6 ) ++/* ==== After libXC v6.0 ==== */ + {xc_func_type func; int result=0; + if(xc_func_init(&func,func_id,XC_UNPOLARIZED)==0) + {if (func.hyb_number_terms>0) diff --git a/science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c b/science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c new file mode 100644 index 000000000000..f92ef919d312 --- /dev/null +++ b/science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c @@ -0,0 +1,35 @@ +--- shared/libpaw/src/libpaw_libxc.c.orig 2021-11-09 07:25:16 UTC ++++ shared/libpaw/src/libpaw_libxc.c +@@ -67,8 +67,8 @@ void libpaw_xc_get_family_constants(int *xc_cst_family + *xc_cst_family_mgga = XC_FAMILY_MGGA; + *xc_cst_family_lca = XC_FAMILY_LCA; + *xc_cst_family_oep = XC_FAMILY_OEP; +-#if ( XC_MAJOR_VERSION > 5 ) +-/* ==== libXC v6.0 and later ==== */ ++#if ( XC_MAJOR_VERSION > 6 ) ++/* ==== After libXC v6.0 ==== */ + *xc_cst_family_hyb_gga = -11; + *xc_cst_family_hyb_mgga = -11; + #else +@@ -134,8 +134,8 @@ void libpaw_xc_get_hybrid_constants(int *xc_cst_hyb_no + int *xc_cst_hyb_double_hybrid, + int *xc_cst_hyb_mixture) + { +-#if ( XC_MAJOR_VERSION > 5 ) +-/* ==== libXC v6.0 and later ==== */ ++#if ( XC_MAJOR_VERSION > 6 ) ++/* ==== After libXC v6.0 ==== */ + *xc_cst_hyb_none = XC_HYB_NONE; + *xc_cst_hyb_fock = XC_HYB_FOCK; + *xc_cst_hyb_pt2 = XC_HYB_PT2; +@@ -345,8 +345,8 @@ void libpaw_xc_func_set_density_threshold(XC(func_type + * =============================================================== + */ + int libpaw_xc_func_is_hybrid_from_id(int func_id) +-#if ( XC_MAJOR_VERSION > 5 ) +-/* ==== libXC v6.0 and later ==== */ ++#if ( XC_MAJOR_VERSION > 6 ) ++/* ==== After libXC v6.0 ==== */ + {xc_func_type func; int result=0; + if(xc_func_init(&func,func_id,XC_UNPOLARIZED)==0) + {if (func.hyb_number_terms>0) |