Date: Tue, 13 Jun 2023 00:41:24 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: d4ca0a7ed8cb - main - =?utf-8?Q?science/abinit:=20Update=209.6.2=20=E2=86=92=209.8.4?= Message-ID: <202306130041.35D0fOZw061889@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=d4ca0a7ed8cb430f70861857ce2445038b330e6a commit d4ca0a7ed8cb430f70861857ce2445038b330e6a Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2023-06-12 21:18:08 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2023-06-13 00:41:20 +0000 science/abinit: Update 9.6.2 → 9.8.4 Reported by: portscout --- science/abinit/Makefile | 7 ++-- science/abinit/distinfo | 6 +-- ...ared_common_src_33__xc__lowlevel_libxc__tools.c | 47 ++++++++-------------- .../files/patch-shared_libpaw_src_libpaw__libxc.c | 45 +++++++-------------- 4 files changed, 37 insertions(+), 68 deletions(-) diff --git a/science/abinit/Makefile b/science/abinit/Makefile index 26f3e310280b..32b7beba5155 100644 --- a/science/abinit/Makefile +++ b/science/abinit/Makefile @@ -1,6 +1,5 @@ PORTNAME= abinit -DISTVERSION= 9.6.2 -PORTREVISION= 3 +DISTVERSION= 9.8.4 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -36,7 +35,7 @@ USES= autoreconf:build blaslapack:netlib fortran gmake gnome localbase:ldflags python:3.7+ shebangfix USE_GITHUB= yes USE_GNOME= libxml2 -SHEBANG_FILES= config/scripts/* doc/tutorial/paral_gspw_assets/abinit.sub.* +SHEBANG_FILES= config/scripts/* doc/tutorial/paral_bandpw_assets/abinit.sub.* SHEBANG_GLOB= *.py GNU_CONFIGURE= yes CONFIGURE_ENV= CC_LDFLAGS="${LDFLAGS}" CXX_LDFLAGS="${LDFLAGS}" FC_LDFLAGS="${LDFLAGS}" \ @@ -51,7 +50,7 @@ CONFIGURE_ENV= CC_LDFLAGS="${LDFLAGS}" CXX_LDFLAGS="${LDFLAGS}" FC_LDFLAGS="${LD CONFIGURE_ARGS= --with-fft --with-libxc --with-libxml2 --with-netcdf \ --with-netcdf-fortran --with-wannier90 --with-xmlf90 FCFLAGS+= -ffree-line-length-none -TEST_TARGET= tests_abirules tests_buildsys +TEST_TARGET= tests_abirules tests_buildsys # Many tests print RuntimeError, https://github.com/abinit/abinit/issues/64 TEST_WRKSRC= ${WRKSRC}/abichecks PORTDOCS= * diff --git a/science/abinit/distinfo b/science/abinit/distinfo index 2a6ff478e59d..cab8c15bb51f 100644 --- a/science/abinit/distinfo +++ b/science/abinit/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1659120938 -SHA256 (abinit-abinit-9.6.2_GH0.tar.gz) = 5fba537bac99f53ae02781f1f374247503241b80ce329dc51fe2e986b13198f0 -SIZE (abinit-abinit-9.6.2_GH0.tar.gz) = 109189300 +TIMESTAMP = 1686597792 +SHA256 (abinit-abinit-9.8.4_GH0.tar.gz) = 1b981140cb837c22f037a5dc8ec9769c007517e972ba667396ee300e006f543d +SIZE (abinit-abinit-9.8.4_GH0.tar.gz) = 128443869 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 index a8a5148e399e..cc74d5aac0e3 100644 --- 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 @@ -1,35 +1,20 @@ ---- 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.orig 2023-04-24 13:01:07 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; +@@ -73,7 +73,7 @@ void xc_get_family_constants(int *xc_cst_family_unknow *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; + *xc_cst_family_hyb_gga = XC_FAMILY_HYB_GGA; + *xc_cst_family_hyb_mgga = XC_FAMILY_HYB_MGGA; +-#if ( XC_MAJOR_VERSION > 5 ) ++#if ( XC_MAJOR_VERSION > 6 ) + /* ==== libXC v6.0 and later ==== */ + *xc_cst_family_hyb_lda = XC_FAMILY_HYB_LDA; #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 - * =============================================================== - */ +@@ -364,7 +364,7 @@ void xc_func_set_grad_sig_threshold(XC(func_type) *xc_ 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) + /* ==== Before libXC v6.0 ==== */ + {int family; family=xc_family_from_id(func_id, NULL, NULL); +-#if ( XC_MAJOR_VERSION > 5 ) ++#if ( XC_MAJOR_VERSION > 6 ) + /* ==== libXC v6.0 and later ==== */ + if (family==XC_FAMILY_HYB_GGA || family==XC_FAMILY_HYB_MGGA || family==XC_FAMILY_HYB_LDA) + {return 1;} diff --git a/science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c b/science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c index f92ef919d312..a68cb06767cd 100644 --- a/science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c +++ b/science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c @@ -1,35 +1,20 @@ ---- shared/libpaw/src/libpaw_libxc.c.orig 2021-11-09 07:25:16 UTC +--- shared/libpaw/src/libpaw_libxc.c.orig 2023-04-24 13:01:07 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; +@@ -70,7 +70,7 @@ void libpaw_xc_get_family_constants(int *xc_cst_family *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; + *xc_cst_family_hyb_gga = XC_FAMILY_HYB_GGA; + *xc_cst_family_hyb_mgga = XC_FAMILY_HYB_MGGA; +-#if ( XC_MAJOR_VERSION > 5 ) ++#if ( XC_MAJOR_VERSION > 6 ) + /* ==== libXC v6.0 and later ==== */ + *xc_cst_family_hyb_lda = XC_FAMILY_HYB_LDA; #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 - * =============================================================== +@@ -312,7 +312,7 @@ void libpaw_xc_func_set_sig_threshold(XC(func_type) *x */ 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) + {int family; family=xc_family_from_id(func_id, NULL, NULL); +-#if ( XC_MAJOR_VERSION > 5 ) ++#if ( XC_MAJOR_VERSION > 6 ) + /* ==== libXC v6.0 and later ==== */ + if (family==XC_FAMILY_HYB_GGA || family==XC_FAMILY_HYB_MGGA || family==XC_FAMILY_HYB_LDA) + {return 1;}
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