git: dba461c9e39f - main - science/abinit: update 9.10.5 → 10.0.3
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Date: Wed, 17 Apr 2024 03:48:52 UTC
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=dba461c9e39f220042da78ea3872b3e0f0dc6e5b
commit dba461c9e39f220042da78ea3872b3e0f0dc6e5b
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2024-04-17 03:48:29 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2024-04-17 03:48:48 +0000
science/abinit: update 9.10.5 → 10.0.3
Reported by: portscout
---
science/abinit/Makefile | 9 ++++++---
science/abinit/distinfo | 6 +++---
science/abinit/files/patch-config_scripts_makemake | 4 ++--
.../abinit/files/patch-shared__common__src__02_clib__md5.c | 11 -----------
.../patch-shared_common_src_33__xc__lowlevel_libxc__tools.c | 6 +++---
science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c | 6 +++---
6 files changed, 17 insertions(+), 25 deletions(-)
diff --git a/science/abinit/Makefile b/science/abinit/Makefile
index f9395f78fd61..0dbf5ddee359 100644
--- a/science/abinit/Makefile
+++ b/science/abinit/Makefile
@@ -1,5 +1,5 @@
PORTNAME= abinit
-DISTVERSION= 9.10.5
+DISTVERSION= 10.0.3
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
@@ -27,7 +27,8 @@ LIB_DEPENDS= libelpa.so:math/elpa \
libwannier.so:science/wannier90 \
libnetcdff.so:science/netcdf-fortran
RUN_DEPENDS= atompaw:science/atompaw
-TEST_DEPENDS= ${PYNUMPY} \
+TEST_DEPENDS= bash:shells/bash \
+ ${PYNUMPY} \
libyaml>0:textproc/libyaml
USES= autoreconf:build blaslapack:netlib fortran gmake gnome localbase:ldflags \
@@ -35,7 +36,7 @@ USES= autoreconf:build blaslapack:netlib fortran gmake gnome localbase:ldflags
USE_GITHUB= yes
USE_GNOME= libxml2
SHEBANG_FILES= config/scripts/* doc/tutorial/paral_bandpw_assets/abinit.sub.*
-SHEBANG_GLOB= *.py
+SHEBANG_GLOB= *.py *.sh
GNU_CONFIGURE= yes
CONFIGURE_ENV= H5CC="${LOCALBASE}/bin/h5cc" \
HDF5_CFLAGS="-I${LOCALBASE}/include" \
@@ -52,6 +53,8 @@ TEST_TARGET= tests_abirules tests_buildsys # Many tests print RuntimeError, http
TEST_WRKSRC= ${WRKSRC}/abichecks
PORTDOCS= *
+BINARY_ALIAS= git=false
+
OPTIONS_DEFINE= DOCS OPENMP OPENMPI
OPTIONS_DEFAULT= OPENMP OPENMPI
diff --git a/science/abinit/distinfo b/science/abinit/distinfo
index 89d7bb17581b..d2b8c03f6c68 100644
--- a/science/abinit/distinfo
+++ b/science/abinit/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1708573562
-SHA256 (abinit-abinit-9.10.5_GH0.tar.gz) = 2e37dd2400cfd1b01d0bd925650d50e8c59e587a8d799a74188deded4d53493b
-SIZE (abinit-abinit-9.10.5_GH0.tar.gz) = 130746379
+TIMESTAMP = 1713294583
+SHA256 (abinit-abinit-10.0.3_GH0.tar.gz) = bd3d319dd6146890d2428a80da5eba1280e07f6e72489612dbad73bbf3043c9d
+SIZE (abinit-abinit-10.0.3_GH0.tar.gz) = 132478613
diff --git a/science/abinit/files/patch-config_scripts_makemake b/science/abinit/files/patch-config_scripts_makemake
index ee97e9a3e4df..7f57ca5af7c6 100644
--- a/science/abinit/files/patch-config_scripts_makemake
+++ b/science/abinit/files/patch-config_scripts_makemake
@@ -1,6 +1,6 @@
---- config/scripts/makemake.orig 2020-12-26 16:36:41 UTC
+--- config/scripts/makemake.orig 2024-04-16 19:11:37 UTC
+++ config/scripts/makemake
-@@ -408,7 +408,7 @@ if ( opts.run_clean ):
+@@ -414,7 +414,7 @@ if ( opts.run_clean ):
sys.exit(0)
# Get Autotools versions
diff --git a/science/abinit/files/patch-shared__common__src__02_clib__md5.c b/science/abinit/files/patch-shared__common__src__02_clib__md5.c
deleted file mode 100644
index 16408c671ee0..000000000000
--- a/science/abinit/files/patch-shared__common__src__02_clib__md5.c
+++ /dev/null
@@ -1,11 +0,0 @@
---- shared/common/src/02_clib/md5.c.orig 2017-02-28 12:02:53 UTC
-+++ shared/common/src/02_clib/md5.c
-@@ -47,7 +47,7 @@
- #ifdef HAVE_MALLOC_MALLOC_H
- # include <malloc/malloc.h>
- #else
--# include <malloc.h>
-+# include <stdlib.h>
- #endif
-
- #include "md5.h"
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 cc74d5aac0e3..ac962841185f 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
@@ -1,6 +1,6 @@
---- 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.orig 2024-04-12 04:50:51 UTC
+++ shared/common/src/33_xc_lowlevel/libxc_tools.c
-@@ -73,7 +73,7 @@ void xc_get_family_constants(int *xc_cst_family_unknow
+@@ -74,7 +74,7 @@ void xc_get_family_constants(int *xc_cst_family_unknow
*xc_cst_family_oep = XC_FAMILY_OEP;
*xc_cst_family_hyb_gga = XC_FAMILY_HYB_GGA;
*xc_cst_family_hyb_mgga = XC_FAMILY_HYB_MGGA;
@@ -9,7 +9,7 @@
/* ==== libXC v6.0 and later ==== */
*xc_cst_family_hyb_lda = XC_FAMILY_HYB_LDA;
#else
-@@ -364,7 +364,7 @@ void xc_func_set_grad_sig_threshold(XC(func_type) *xc_
+@@ -405,7 +405,7 @@ int xc_func_is_hybrid_from_id(int func_id)
int xc_func_is_hybrid_from_id(int func_id)
/* ==== Before libXC v6.0 ==== */
{int family; family=xc_family_from_id(func_id, NULL, NULL);
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 a68cb06767cd..ac22e42945c9 100644
--- a/science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c
+++ b/science/abinit/files/patch-shared_libpaw_src_libpaw__libxc.c
@@ -1,6 +1,6 @@
---- shared/libpaw/src/libpaw_libxc.c.orig 2023-04-24 13:01:07 UTC
+--- shared/libpaw/src/libpaw_libxc.c.orig 2024-04-12 04:50:51 UTC
+++ shared/libpaw/src/libpaw_libxc.c
-@@ -70,7 +70,7 @@ void libpaw_xc_get_family_constants(int *xc_cst_family
+@@ -71,7 +71,7 @@ void libpaw_xc_get_family_constants(int *xc_cst_family
*xc_cst_family_oep = XC_FAMILY_OEP;
*xc_cst_family_hyb_gga = XC_FAMILY_HYB_GGA;
*xc_cst_family_hyb_mgga = XC_FAMILY_HYB_MGGA;
@@ -9,7 +9,7 @@
/* ==== libXC v6.0 and later ==== */
*xc_cst_family_hyb_lda = XC_FAMILY_HYB_LDA;
#else
-@@ -312,7 +312,7 @@ void libpaw_xc_func_set_sig_threshold(XC(func_type) *x
+@@ -353,7 +353,7 @@ int libpaw_xc_func_is_hybrid_from_id(int func_id)
*/
int libpaw_xc_func_is_hybrid_from_id(int func_id)
{int family; family=xc_family_from_id(func_id, NULL, NULL);