git: d8a0497e3949 - main - science/py-ase: update 3.23.0 → 3.26.0

Go to: [ bottom of page ] [ top of archives ] [ this month ]
From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Sat, 06 Sep 2025 07:19:09 UTC
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=d8a0497e39491710bf3c8592f1d552a906553efe

commit d8a0497e39491710bf3c8592f1d552a906553efe
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2025-09-06 06:22:04 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2025-09-06 07:19:00 +0000

    science/py-ase: update 3.23.0 → 3.26.0
---
 science/py-ase/Makefile                   | 12 +++++++-----
 science/py-ase/distinfo                   |  6 +++---
 science/py-ase/files/patch-pyproject.toml | 11 +++++++++++
 3 files changed, 21 insertions(+), 8 deletions(-)

diff --git a/science/py-ase/Makefile b/science/py-ase/Makefile
index 27c665165e36..f3e0a8056fdc 100644
--- a/science/py-ase/Makefile
+++ b/science/py-ase/Makefile
@@ -1,21 +1,21 @@
 PORTNAME=	ase
-DISTVERSION=	3.23.0
-PORTREVISION=	2
+DISTVERSION=	3.26.0
 CATEGORIES=	science python # chemistry
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Atomic simulation environment
-WWW=		https://wiki.fysik.dtu.dk/ase/
+WWW=		https://ase-lib.org/ \
+		https://gitlab.com/ase/ase
 
 LICENSE=	LGPL21
 LICENSE_FILE=	${WRKSRC}/COPYING.LESSER
 
 RUN_DEPENDS=	${PYNUMPY} \
 		${PYTHON_PKGNAMEPREFIX}matplotlib>=3.1.0:math/py-matplotlib@${PY_FLAVOR} \
-		${PYTHON_PKGNAMEPREFIX}scipy>=1.1.0:science/py-scipy@${PY_FLAVOR} \
-		nwchem:science/nwchem
+		${PYTHON_PKGNAMEPREFIX}scipy>=1.1.0:science/py-scipy@${PY_FLAVOR}
+#		nwchem:science/nwchem
 TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest-mock>0:devel/py-pytest-mock@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pytest-xdist>=1.30.0:devel/py-pytest-xdist@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}asap3>0:science/py-asap3@${PY_FLAVOR} \
@@ -29,4 +29,6 @@ USE_PYTHON=	distutils concurrent autoplist pytest
 
 NO_ARCH=	yes
 
+# tests as of 3.26.0: 25 failed, 3036 passed, 538 skipped, 5 xfailed, 49 warnings, 10 errors in 2377.98s (0:39:37), see https://gitlab.com/ase/ase/-/issues/1746, https://gitlab.com/ase/ase/-/issues/1747
+
 .include <bsd.port.mk>
diff --git a/science/py-ase/distinfo b/science/py-ase/distinfo
index 856920eb9664..eb2ad2c0fbb6 100644
--- a/science/py-ase/distinfo
+++ b/science/py-ase/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1720836089
-SHA256 (ase-3.23.0.tar.gz) = 91a2aa31d89bd90b0efdfe4a7e84264f32828b2abfc9f38e65e041ad76fec8ae
-SIZE (ase-3.23.0.tar.gz) = 2336462
+TIMESTAMP = 1757118068
+SHA256 (ase-3.26.0.tar.gz) = a071a355775b0a8062d23e9266e9d811b19d9f6d9ec5215e8032f7d93dc65075
+SIZE (ase-3.26.0.tar.gz) = 2405567
diff --git a/science/py-ase/files/patch-pyproject.toml b/science/py-ase/files/patch-pyproject.toml
new file mode 100644
index 000000000000..f1ffc89d09c4
--- /dev/null
+++ b/science/py-ase/files/patch-pyproject.toml
@@ -0,0 +1,11 @@
+--- pyproject.toml.orig	2025-09-06 00:22:04 UTC
++++ pyproject.toml
+@@ -7,8 +7,6 @@ readme = 'README.rst'
+ description='Atomic Simulation Environment'
+ dynamic = ['version']
+ readme = 'README.rst'
+-license = 'LGPL-2.1-or-later'
+-license-files = ['LICENSE']
+ maintainers = [{ name = 'ASE Community', email = 'ase-users@listserv.fysik.dtu.dk' }]
+ classifiers = [
+     'Development Status :: 6 - Mature',