Attachment #250142 for bug #278516




PORTNAME=	dftd4
DISTVERSIONPREFIX=	v
DISTVERSION=	3.6.0
PORTREVISION=	1
CATEGORIES=	science # chemistry

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Atomic-charge dependent london dispersion correction computation
WWW=		https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4/

LICENSE=	GPLv3
LICENSE_FILE=	${WRKSRC}/COPYING

BROKEN_aarch64=	cannot open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory

BUILD_DEPENDS=	mstore>0:science/mstore
LIB_DEPENDS=	libmctc-lib.so:science/mctc-lib \

Lines 1-3 Link Here

(-)b/science/dftd4/distinfo (-3 / +3 lines)
1	TIMESTAMP = 1687112697	1	TIMESTAMP = 1713733317
2	SHA256 (dftd4-dftd4-v3.5.0_GH0.tar.gz) = 69830a32be61e683f3246239bdbf6a5ab8a0c902c76716f215262d16082a9e6d	2	SHA256 (dftd4-dftd4-v3.6.0_GH0.tar.gz) = 0e3e8d5f9e9e5414b9979967c074c953706053832e551d922c27599e7324bace
3	SIZE (dftd4-dftd4-v3.5.0_GH0.tar.gz) = 355248	3	SIZE (dftd4-dftd4-v3.6.0_GH0.tar.gz) = 355901

Lines 34-38 lib/cmake/dftd4/dftd4-targets.cmake Link Here

(-)b/science/dftd4/pkg-plist (-1 / +1 lines)
34	lib/cmake/dftd4/dftd4-utils.cmake	34	lib/cmake/dftd4/dftd4-utils.cmake
35	lib/libdftd4.so	35	lib/libdftd4.so
36	lib/libdftd4.so.3	36	lib/libdftd4.so.3
37	lib/libdftd4.so.3.5.0	37	lib/libdftd4.so.3.6.0
38	libdata/pkgconfig/dftd4.pc	38	libdata/pkgconfig/dftd4.pc




PORTNAME=	dftd4
DISTVERSION=	3.6.0
CATEGORIES=	science python # chemistry
MASTER_SITES=	PYPI
PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}

MAINTAINER=	yuri@FreeBSD.org
COMMENT=	Python API of the DFT-D4 project
WWW=		https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4/

LICENSE=	GPLv3
LICENSE_FILE=	${WRKSRC}/COPYING

BROKEN=		build fails: meson-python: error ... after devel/meson-python update to 0.13.2, see https://github.com/dftd4/dftd4/issues/212

BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}meson-python>0:devel/meson-python@${PY_FLAVOR} \
		${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR}

Lines 1-3 Link Here

(-)b/science/py-dftd4/distinfo (-4 / +3 lines)
1	TIMESTAMP = 1691044768	1	TIMESTAMP = 1713733814
2	SHA256 (dftd4-3.5.0.tar.gz) = 4f4cd5c611da558756095b34675cb038192baaae44fd7537e22676742f2f79dd	2	SHA256 (dftd4-3.6.0.tar.gz) = 95866afebdd0762bcd2e1c031e42f48ba99483d12ed45d34afd6bc3667445adb
3	SIZE (dftd4-3.5.0.tar.gz) = 495370	3	SIZE (dftd4-3.6.0.tar.gz) = 495952
4	-

Return to bug 278516

Lines 1-17 Link Here

(-)b/science/dftd4/Makefile (-4 / +3 lines)
1	PORTNAME= dftd4	1	PORTNAME= dftd4
2	DISTVERSIONPREFIX= v	2	DISTVERSIONPREFIX= v
3	DISTVERSION= 3.5.0	3	DISTVERSION= 3.6.0
4	PORTREVISION= 1
5	CATEGORIES= science # chemistry	4	CATEGORIES= science # chemistry
6		5
7	MAINTAINER= yuri@FreeBSD.org	6	MAINTAINER= yuri@FreeBSD.org
8	COMMENT= Atomic-charge dependent london dispersion correction computation	7	COMMENT= Atomic-charge dependent london dispersion correction computation
9	WWW= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4	8	WWW= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4/
10		9
11	LICENSE= GPLv3	10	LICENSE= GPLv3
12	LICENSE_FILE= ${WRKSRC}/COPYING	11	LICENSE_FILE= ${WRKSRC}/COPYING
13		12
14	BROKEN_aarch64= Cannot open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory	13	BROKEN_aarch64= cannot open module file 'ieee_arithmetic.mod' for reading at (1): No such file or directory
15		14
16	BUILD_DEPENDS= mstore>0:science/mstore	15	BUILD_DEPENDS= mstore>0:science/mstore
17	LIB_DEPENDS= libmctc-lib.so:science/mctc-lib \	16	LIB_DEPENDS= libmctc-lib.so:science/mctc-lib \

Lines 1-18 Link Here

(-)b/science/py-dftd4/Makefile (-4 / +2 lines)
1	PORTNAME= dftd4	1	PORTNAME= dftd4
2	DISTVERSION= 3.5.0	2	DISTVERSION= 3.6.0
3	CATEGORIES= science python # chemistry	3	CATEGORIES= science python # chemistry
4	MASTER_SITES= PYPI	4	MASTER_SITES= PYPI
5	PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}	5	PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
6		6
7	MAINTAINER= yuri@FreeBSD.org	7	MAINTAINER= yuri@FreeBSD.org
8	COMMENT= Python API of the DFT-D4 project	8	COMMENT= Python API of the DFT-D4 project
9	WWW= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4	9	WWW= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4/
10		10
11	LICENSE= GPLv3	11	LICENSE= GPLv3
12	LICENSE_FILE= ${WRKSRC}/COPYING	12	LICENSE_FILE= ${WRKSRC}/COPYING
13		13
14	BROKEN= build fails: meson-python: error ... after devel/meson-python update to 0.13.2, see https://github.com/dftd4/dftd4/issues/212
15
16	BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \	14	BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \
17	${PYTHON_PKGNAMEPREFIX}meson-python>0:devel/meson-python@${PY_FLAVOR} \	15	${PYTHON_PKGNAMEPREFIX}meson-python>0:devel/meson-python@${PY_FLAVOR} \
18	${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR}	16	${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR}