git: d736f61a46b3 - main - science/py-geometric: update 1.0 → 1.1

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=d736f61a46b378098f52b06f16171620cd6b2618

commit d736f61a46b378098f52b06f16171620cd6b2618
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2025-01-25 07:27:12 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2025-01-25 08:14:45 +0000

    science/py-geometric: update 1.0 → 1.1
    
    Reported by:    portscout
---
 science/py-geometric/Makefile | 11 +++++++----
 science/py-geometric/distinfo |  6 +++---
 2 files changed, 10 insertions(+), 7 deletions(-)

diff --git a/science/py-geometric/Makefile b/science/py-geometric/Makefile
index aa7bb5ef8457..93e9176abb24 100644
--- a/science/py-geometric/Makefile
+++ b/science/py-geometric/Makefile
@@ -1,24 +1,27 @@
 PORTNAME=	geometric
-DISTVERSION=	1.0
-PORTREVISION=	1
+DISTVERSION=	1.1
 CATEGORIES=	science python # chemistry
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Geometry optimization for quantum chemistry
-WWW=		https://github.com/leeping/geomeTRIC
+WWW=		https://geometric.readthedocs.io/en/latest/ \
+		https://github.com/leeping/geomeTRIC
 
 LICENSE=	BSD3CLAUSE
 
 RUN_DEPENDS=	${PYNUMPY} \
 		${PYTHON_PKGNAMEPREFIX}networkx>0:math/py-networkx@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}six>0:devel/py-six@${PY_FLAVOR}
 TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR}
 
-USES=		python
+USES=		python shebangfix
 USE_PYTHON=	distutils concurrent autoplist pytest # some tests fail because of missing large test files
 
+SHEBANG_GLOB=	*.py
+
 NO_ARCH=	yes
 
 .include <bsd.port.mk>
diff --git a/science/py-geometric/distinfo b/science/py-geometric/distinfo
index 45e88820e97b..436069da4b45 100644
--- a/science/py-geometric/distinfo
+++ b/science/py-geometric/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1667893873
-SHA256 (geometric-1.0.tar.gz) = 905f4f1a23f72c80788974e57cf9fcc08730c1d4ce994f1114745c3ebcfd4cce
-SIZE (geometric-1.0.tar.gz) = 347922
+TIMESTAMP = 1737789635
+SHA256 (geometric-1.1.tar.gz) = ed7bd2ed67a2f15d442ccc6ce628fdfe682bc3f11ee0566d2edde4830877ed2b
+SIZE (geometric-1.1.tar.gz) = 386046