git: ce67c22d1740 - main - science/py-kliff: update 0.4.3 → 0.4.4

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=ce67c22d1740da38a71169ad349f630468cfaff1

commit ce67c22d1740da38a71169ad349f630468cfaff1
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2025-04-11 06:31:32 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2025-04-11 08:17:05 +0000

    science/py-kliff: update 0.4.3 → 0.4.4
---
 science/py-kliff/Makefile | 15 +++++++++------
 science/py-kliff/distinfo |  6 +++---
 2 files changed, 12 insertions(+), 9 deletions(-)

diff --git a/science/py-kliff/Makefile b/science/py-kliff/Makefile
index f74fd2ead3c6..c5a5995637ee 100644
--- a/science/py-kliff/Makefile
+++ b/science/py-kliff/Makefile
@@ -1,13 +1,13 @@
 PORTNAME=	kliff
-DISTVERSION=	0.4.3
-PORTREVISION=	1
-CATEGORIES=	science python
+DISTVERSION=	0.4.4
+CATEGORIES=	science python # chemistry
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	KIM-based Learning-Integrated Fitting Framework
-WWW=		https://github.com/mjwen/kliff
+WWW=		https://kliff.readthedocs.io/en/latest/ \
+		https://github.com/openkim/kliff
 
 LICENSE=	LGPL21
 LICENSE_FILE=	${WRKSRC}/LICENSE
@@ -17,8 +17,8 @@ RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}loguru>0:devel/py-loguru@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}monty>0:devel/py-monty@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}requests>0:www/py-requests@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}pyyaml>=0:devel/py-pyyaml@${PY_FLAVOR}
-TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}emcee>0:math/py-emcee@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pyyaml>0:devel/py-pyyaml@${PY_FLAVOR}
+RUN_DEPENDS+=	${PYTHON_PKGNAMEPREFIX}emcee>0:math/py-emcee@${PY_FLAVOR} \
 		${PYNUMPY} \
 		${PYTHON_PKGNAMEPREFIX}kimpy>0:science/py-kimpy@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pytorch>0:misc/py-pytorch@${PY_FLAVOR} \
@@ -27,8 +27,11 @@ USES=		compiler:c++11-lang python
 USE_PYTHON=	distutils autoplist pytest # tests fail to run, see https://github.com/openkim/kliff/issues/81, and https://github.com/openkim/kliff/issues/197
 
 TEST_ENV=	${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}
+TEST_WRKSRC=	${WRKSRC}/tests
 
 post-install:
 	@${FIND} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} -name "*.so" | ${XARGS} ${STRIP_CMD}
 
+# tests as of 0.4.4: 17 failed, 29 passed, 16 errors in 14.58s, see https://github.com/openkim/kliff/issues/210
+
 .include <bsd.port.mk>
diff --git a/science/py-kliff/distinfo b/science/py-kliff/distinfo
index 440fa8744bed..4faca49b1df5 100644
--- a/science/py-kliff/distinfo
+++ b/science/py-kliff/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1731864663
-SHA256 (kliff-0.4.3.tar.gz) = 35a2e089459ade5324cce9ba3bbf5a94908f21864883c6c0dda8320acc674333
-SIZE (kliff-0.4.3.tar.gz) = 3170131
+TIMESTAMP = 1744348783
+SHA256 (kliff-0.4.4.tar.gz) = 0644eebadfe21b77389eaa6e001ebb166bd95ed06993c309293190991ff76980
+SIZE (kliff-0.4.4.tar.gz) = 3172741