git: 62485eb92061 - main - science/{,py-}dftd4: update 3.7.0 → 4.1.0

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=62485eb92061575176e8f3c82d12e317a97f6353

commit 62485eb92061575176e8f3c82d12e317a97f6353
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2026-03-29 09:57:38 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2026-03-29 09:59:03 +0000

    science/{,py-}dftd4: update 3.7.0 → 4.1.0
---
 science/dftd4/Makefile       | 5 +++--
 science/dftd4/distinfo       | 6 +++---
 science/dftd4/pkg-plist      | 5 ++---
 science/py-dftd4/Makefile    | 3 ++-
 science/py-dftd4/distinfo    | 6 +++---
 science/py-qcengine/Makefile | 2 +-
 6 files changed, 14 insertions(+), 13 deletions(-)

diff --git a/science/dftd4/Makefile b/science/dftd4/Makefile
index aa8e5fc6d68f..d3131edce807 100644
--- a/science/dftd4/Makefile
+++ b/science/dftd4/Makefile
@@ -1,7 +1,6 @@
 PORTNAME=	dftd4
 DISTVERSIONPREFIX=	v
-DISTVERSION=	3.7.0-31
-DISTVERSIONSUFFIX=	-g476e6be
+DISTVERSION=	4.1.0
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
@@ -28,4 +27,6 @@ CMAKE_ON=	BUILD_SHARED_LIBS
 post-patch: # see https://github.com/toml-f/toml-f/issues/51
 	@${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' ${WRKSRC}/config/CMakeLists.txt
 
+# tests as of 4.1.0: 100% tests passed, 0 tests failed out of 6
+
 .include <bsd.port.mk>
diff --git a/science/dftd4/distinfo b/science/dftd4/distinfo
index 0274ee6407a9..0cce6ef6a82f 100644
--- a/science/dftd4/distinfo
+++ b/science/dftd4/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1762271663
-SHA256 (dftd4-dftd4-v3.7.0-31-g476e6be_GH0.tar.gz) = 6f70d17299963d51b59ae79372a7a01caf896a6103ccf636cfdc87465eb47971
-SIZE (dftd4-dftd4-v3.7.0-31-g476e6be_GH0.tar.gz) = 466471
+TIMESTAMP = 1774760157
+SHA256 (dftd4-dftd4-v4.1.0_GH0.tar.gz) = cddb4b3e3c39163a5462fa67c9edd9eefb381fc8f376a9b274036087665dbb77
+SIZE (dftd4-dftd4-v4.1.0_GH0.tar.gz) = 481209
diff --git a/science/dftd4/pkg-plist b/science/dftd4/pkg-plist
index 35758c3ce35d..12241581d505 100644
--- a/science/dftd4/pkg-plist
+++ b/science/dftd4/pkg-plist
@@ -3,7 +3,6 @@ include/dftd4.h
 include/dftd4/dftd4.mod
 include/dftd4/dftd4_api.mod
 include/dftd4/dftd4_blas.mod
-include/dftd4/dftd4_charge.mod
 include/dftd4/dftd4_cutoff.mod
 include/dftd4/dftd4_damping.mod
 include/dftd4/dftd4_damping_atm.mod
@@ -38,6 +37,6 @@ lib/cmake/dftd4/dftd4-targets-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/dftd4/dftd4-targets.cmake
 lib/cmake/dftd4/dftd4-utils.cmake
 lib/libdftd4.so
-lib/libdftd4.so.3
-lib/libdftd4.so.3.7.0
+lib/libdftd4.so.4
+lib/libdftd4.so.4.1.0
 libdata/pkgconfig/dftd4.pc
diff --git a/science/py-dftd4/Makefile b/science/py-dftd4/Makefile
index bd89908e3afd..1da18914b99b 100644
--- a/science/py-dftd4/Makefile
+++ b/science/py-dftd4/Makefile
@@ -1,5 +1,5 @@
 PORTNAME=	dftd4
-DISTVERSION=	3.7.0
+DISTVERSION=	4.1.0
 CATEGORIES=	science python # chemistry
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
@@ -13,6 +13,7 @@ LICENSE_FILE=	${WRKSRC}/COPYING
 
 BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}meson-python>0:devel/meson-python@${PY_FLAVOR} \
+		${PY_SETUPTOOLS} \
 		${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR}
 LIB_DEPENDS=	libdftd4.so:science/dftd4
 RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \
diff --git a/science/py-dftd4/distinfo b/science/py-dftd4/distinfo
index 948511154dd1..7545fe6f80ba 100644
--- a/science/py-dftd4/distinfo
+++ b/science/py-dftd4/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1725081389
-SHA256 (dftd4-3.7.0.tar.gz) = 2e0d3504038358b8a82fdd21912b7765d416a58ebedbdd44f2ca8d2e88339ad7
-SIZE (dftd4-3.7.0.tar.gz) = 534687
+TIMESTAMP = 1774777208
+SHA256 (dftd4-4.1.0.tar.gz) = d1c3d69ab928c4774901fdc8a0aba0e3995365e9bcd9f89f7884585fb8ee3892
+SIZE (dftd4-4.1.0.tar.gz) = 665787
diff --git a/science/py-qcengine/Makefile b/science/py-qcengine/Makefile
index 70dc71e01d3f..b52185255728 100644
--- a/science/py-qcengine/Makefile
+++ b/science/py-qcengine/Makefile
@@ -1,6 +1,6 @@
 PORTNAME=	qcengine
 DISTVERSION=	0.30.0
-PORTREVISION=	4
+PORTREVISION=	5
 CATEGORIES=	science python # chemistry
 MASTER_SITES=	PYPI
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}