git: 9848e1016652 - main - science/gromacs: update 2024.5 → 2025.0

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=9848e10166521db13146e4b138acb87c051f0b44

commit 9848e10166521db13146e4b138acb87c051f0b44
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2025-02-13 08:41:18 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2025-02-13 08:41:32 +0000

    science/gromacs: update 2024.5 → 2025.0
    
    Reported by:    portscout
---
 science/gromacs/Makefile  | 11 +++++++++--
 science/gromacs/distinfo  |  6 +++---
 science/gromacs/pkg-plist |  7 ++-----
 3 files changed, 14 insertions(+), 10 deletions(-)

diff --git a/science/gromacs/Makefile b/science/gromacs/Makefile
index 3573141798af..c21e414eb1ae 100644
--- a/science/gromacs/Makefile
+++ b/science/gromacs/Makefile
@@ -1,5 +1,5 @@
 PORTNAME=	gromacs
-DISTVERSION=	2024.5
+DISTVERSION=	2025.0
 CATEGORIES=	science
 MASTER_SITES=	https://ftp.gromacs.org/pub/gromacs/
 DISTFILES=	${DISTNAME}${EXTRACT_SUFX} # only for googletest
@@ -7,6 +7,7 @@ DISTFILES=	${DISTNAME}${EXTRACT_SUFX} # only for googletest
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Compute molecular dynamics
 WWW=		https://www.gromacs.org \
+		https://gitlab.com/gromacs/gromacs \
 		https://github.com/gromacs/gromacs
 
 LICENSE=	LGPL21
@@ -15,6 +16,9 @@ LICENSE_FILE=	${WRKSRC}/COPYING
 BROKEN_i386=	undefined reference to `__atomic_load' and `__atomic_compare_exchange' #`
 
 BUILD_DEPENDS=	boost-libs>=1.44:devel/boost-libs
+LIB_DEPENDS=	liblmfit.so:math/lmfit \
+		libmuparser.so:math/muparser
+		# TODO tng
 
 USES=		cmake compiler:c++17-lang gnome pathfix perl5 pkgconfig \
 		python:build shebangfix
@@ -29,7 +33,10 @@ bash_CMD=	${SH}
 CMAKE_OFF=	GMX_USE_RDTSCP \
 		USE_PYTHON_SCRIPTS
 CMAKE_ARGS=	-DPython_EXECUTABLE=${PYTHON_CMD} \
-		-DPython3_EXECUTABLE=${PYTHON_CMD}
+		-DPython3_EXECUTABLE=${PYTHON_CMD} \
+		-DGMX_USE_MUPARSER=EXTERNAL \
+		-DGMX_USE_PLUMED=ON \
+		-DGMX_USE_LMFIT=EXTERNAL
 
 TEST_TARGET=	check
 
diff --git a/science/gromacs/distinfo b/science/gromacs/distinfo
index 8fe13834c22a..6b2c689e8b4b 100644
--- a/science/gromacs/distinfo
+++ b/science/gromacs/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1737871794
-SHA256 (gromacs-2024.5.tar.gz) = fecf06b186cddb942cfb42ee8da5f3eb2b9993e6acc0a2f18d14ac0b014424f3
-SIZE (gromacs-2024.5.tar.gz) = 42353127
+TIMESTAMP = 1739341467
+SHA256 (gromacs-2025.0.tar.gz) = a27ad35a646295bbec129abe684d9d03d1e2e0bd76b0d625e9055746aaefae82
+SIZE (gromacs-2025.0.tar.gz) = 44417653
diff --git a/science/gromacs/pkg-plist b/science/gromacs/pkg-plist
index ea41292d1500..ef617f0ab641 100644
--- a/science/gromacs/pkg-plist
+++ b/science/gromacs/pkg-plist
@@ -136,11 +136,8 @@ lib/libgmxapi%%SUFFIX_D%%.so
 lib/libgmxapi%%SUFFIX_D%%.so.0
 lib/libgmxapi%%SUFFIX_D%%.so.0.4.0
 lib/libgromacs%%SUFFIX_D%%.so
-lib/libgromacs%%SUFFIX_D%%.so.9
-lib/libgromacs%%SUFFIX_D%%.so.9.0.0
-lib/libmuparser.so
-lib/libmuparser.so.2
-lib/libmuparser.so.2.3.4
+lib/libgromacs%%SUFFIX_D%%.so.10
+lib/libgromacs%%SUFFIX_D%%.so.10.0.0
 lib/libnblib_gmx.so
 lib/libnblib_gmx.so.0
 lib/libnblib_gmx.so.0.1.0