diff --git a/science/abinit/Makefile b/science/abinit/Makefile
index 099a63b63abf..f0fed6fadc27 100644
--- a/science/abinit/Makefile
+++ b/science/abinit/Makefile
@@ -1,137 +1,137 @@
 PORTNAME=	abinit
 DISTVERSION=	10.6.5
-PORTREVISION=	1
+PORTREVISION=	2
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Full-featured atomic-scale first-principles simulation software
 WWW=		https://www.abinit.org \
 		https://github.com/abinit/abinit
 
 LICENSE=	GPLv3
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 ONLY_FOR_ARCHS=	amd64 powerpc64 powerpc64le
 
 BUILD_DEPENDS=	gm4:devel/m4	\
 		${PYTHON_PKGNAMEPREFIX}numpy1>=1.16:math/py-numpy1@${PY_FLAVOR}	\
 		${PYTHON_PKGNAMEPREFIX}pygments>=0:textproc/py-pygments@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}graphviz>0:graphics/py-graphviz@${PY_FLAVOR}
 LIB_DEPENDS=	libelpa.so:math/elpa		\
 		libsz.so:science/libaec		\
 		libxc.so:science/libxc		\
 		libfftw3.so:math/fftw3		\
 		libfftw3f.so:math/fftw3-float   \
 		libhdf5.so:science/hdf5		\
 		libnetcdf.so:science/netcdf	\
 		libxmlf90.so:textproc/xmlf90	\
 		libwannier.so:science/wannier90	\
 		libnetcdff.so:science/netcdf-fortran
 RUN_DEPENDS=	atompaw:science/atompaw
 TEST_DEPENDS=	bash:shells/bash \
 		${PYTHON_PKGNAMEPREFIX}numpy1>=1.16:math/py-numpy1@${PY_FLAVOR} \
 		libyaml>0:textproc/libyaml
 
 USES=		autoreconf:build blaslapack:netlib fortran gmake gnome localbase:ldflags	\
 		python shebangfix
 USE_GITHUB=	yes
 USE_GNOME=	libxml2
 SHEBANG_FILES=	config/scripts/* doc/tutorial/paral_bandpw_assets/abinit.sub.*
 SHEBANG_GLOB=	*.py *.sh
 GNU_CONFIGURE=	yes
 CONFIGURE_ENV=	H5CC="${LOCALBASE}/bin/h5cc" \
 		HDF5_CFLAGS="-I${LOCALBASE}/include" \
 		HDF5_LDFLAGS="-L${LOCALBASE}/lib -lhdf5" \
 		LINALG_FCFLAGS="-I${LOCALBASE}/include/elpa-2019.05.002/modules"	\
 		LINALG_LIBS="${BLASLIB}  ${LAPACKLIB} -lelpa"	\
 		NETCDF_FORTRAN_FCFLAGS=-I${LOCALBASE}/include	\
 		XMLF90_FCFLAGS=-I${LOCALBASE}/include/xmlf90	\
 		WANNIER90_LIBS="${BLASLIB}  ${LAPACKLIB} -lwannier"
 CONFIGURE_ARGS=	--with-fft --with-libxc --with-libxml2 --with-netcdf	\
 		--with-netcdf-fortran --with-wannier90 --with-xmlf90
 FCFLAGS+=	-ffree-line-length-none
 TEST_TARGET=	tests_abirules tests_buildsys # Many tests print RuntimeError, https://github.com/abinit/abinit/issues/64
 TEST_WRKSRC=	${WRKSRC}/abichecks
 PORTDOCS=	*
 
 BINARY_ALIAS=	git=false \
 		gfortran=gfortran${GCC_DEFAULT} # for tests
 
 OPTIONS_DEFINE=			DOCS OPENMP
 OPTIONS_DEFAULT=		MPICH
 OPTIONS_RADIO=			MPIX
 OPTIONS_RADIO_MPIX=		NOMPI MPICH OPENMPI
 
 OPENMP_CONFIGURE_ENABLE=	openmp
 OPENMP_LDFLAGS=			-lomp
 
 MIX_DESC=			MPI options
 
 NOMPI_DESC=			Do not use MPI
 NOMPI_CONFIGURE_ON=		CC_LDFLAGS="${LDFLAGS}" CXX_LDFLAGS="${LDFLAGS}"	\
 				FC_LDFLAGS="${LDFLAGS}" CFLAGS="${CFLAGS}"
 
 OPENMPI_USES=			mpi:openmpi
 OPENMPI_CONFIGURE_ON=		mpi=yes
 OPENMPI_VARS=			FCFLAGS+="`pkg-config --cflags ompi-fort`" \
 				CFLAGS+="${MPI_CFLAGS}" \
 				LDFLAGS+="${MPI_LDFLAGS}"
 OPENMPI_CONFIGURE_ENV=		${MPIX_CONFIGURE_ENV} \
 				MPI_FCFLAGS="`pkg-config --cflags ompi-fort`"
 
 MPICH_USES=			mpi:mpich
 MPICH_CONFIGURE_ON=		mpi=yes
 MPICH_VARS=			FFLAGS+=-I${LOCALBASE}/include FCFLAGS+=-I${LOCALBASE}/include	\
 				CONFIGURE_ENV+=MPI_LIBS="`pkg-config --libs mpich` -lmpifort"	\
 				CONFIGURE_ENV+MPI_LDFLAGS="`pkg-config --libs mpich` -lmpifort"
 MPICH_CONFIGURE_ENV=		${MPIX_CONFIGURE_ENV}
 
 MPIX_CONFIGURE_ENV=		CC_LDFLAGS="${MPI_LIBS} ${LDFLAGS}" \
 				CXX_LDFLAGS="${MPI_LIBS} ${LDFLAGS}" \
 				FC_LDFLAGS="${MPI_LIBS} ${LDFLAGS}" \
 				CFLAGS="${MPI_CFLAGS} ${CFLAGS} ${CFLAGS_F2018}" \
 				MPI_CPPFLAGS="${MPI_CFLAGS}" \
 				MPI_LIBS="${MPI_LIBS}" \
 				MPI_LDFLAGS="${MPI_LIBS}"
 # When OpenMPI is enabled, put its related variables 1st to avoid conflicts with MPICH
 
 .if defined(WITH_LEVMAR)
 # --with-levmar seems deprecated
 LIB_DEPENDS+=	liblevmar.so:math/levmar
 CONFIGURE_ENV+=	LEVMAR_LIBS="-llevmar ${BLASLIB} ${LAPACKLIB}"
 CONFIGURE_ARGS+=	--with-levmar
 .endif
 
 .include <bsd.port.pre.mk>
 
 .if ${GCC_DEFAULT} >= 10
 FCFLAGS+=	-fallow-argument-mismatch # see https://github.com/abinit/abinit/issues/41
 .endif
 
 pre-configure: # version lines below are workaround for https://github.com/abinit/abinit/issues/75
 	@cd ${WRKSRC} && \
 		${ECHO} ${PORTVERSION} > .version && \
 		${ECHO} ${PORTVERSION} > .tarball-version && \
 		./autogen.sh
 
 post-install-DOCS-on:
 	${REINPLACE_CMD} -e 's|/usr/bin/env  python|${PYTHON_CMD}|'	\
 		${WRKSRC}/doc/tutorial/paral_moldyn_assets/diag_moldyn.py
 	${RM} ${WRKSRC}/doc/tutorial/paral_moldyn_assets/diag_moldyn.py.bak
 	@${MKDIR} ${STAGEDIR}${DOCSDIR}
 	${CP} -R ${WRKSRC}/doc/tutorial ${STAGEDIR}${DOCSDIR}
 
 pre-test:
 	${TOUCH} ${TEST_WRKSRC}/make.log
 
 test-long: # run all examples from tutorial/Input
 	@cd ${WRKSRC}/tests/tutorial/Input && \
 		for abi in `${LS} *.abi`; do \
 			${ECHO} "===> Running example $$abi" && \
 			${SETENV} PATH=${STAGEDIR}${PREFIX}/bin:${PATH} ABI_PSPDIR=${WRKSRC}/tests/Psps_for_tests abinit $$abi; \
 		done
 
 # fftw3 not enabled because libfftw3_mpi is required but not packaged
 
 .include <bsd.port.post.mk>
diff --git a/science/atompaw/Makefile b/science/atompaw/Makefile
index 0178900bea72..081e7e39ec7d 100644
--- a/science/atompaw/Makefile
+++ b/science/atompaw/Makefile
@@ -1,31 +1,32 @@
 PORTNAME=	atompaw
 DISTVERSION=	4.2.0.5
+PORTREVISION=	1
 CATEGORIES=	science
 MASTER_SITES=	http://users.wfu.edu/natalie/papers/pwpaw/
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Tool for projector augmented wave functions for molecular simulations
 WWW=		https://users.wfu.edu/natalie/papers/pwpaw/
 
 LICENSE=	GPLv3
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 USES=		blaslapack:openblas fortran gmake libtool
 MAKE_JOBS_UNSAFE=yes
 GNU_CONFIGURE=	yes
 CONFIGURE_ARGS=	--with-linalg-prefix=${LOCALBASE}	\
 		--with-linalg-libs=${BLASLIB}
 
 OPTIONS_DEFINE=		DOCS LIBXC
 OPTIONS_DEFAULT=	LIBXC
 
 LIBXC_DESC=		Build with libxc
 LIBXC_CONFIGURE_ENABLE=	libxc
 LIBXC_LIB_DEPENDS=	libxc.so:science/libxc
 
 PORTDOCS=	*
 
 PLIST_FILES=	bin/atompaw \
 		bin/atompaw_aeonly
 
 .include <bsd.port.mk>
diff --git a/science/bagel/Makefile b/science/bagel/Makefile
index cdc1992d6691..dbb2db20d02d 100644
--- a/science/bagel/Makefile
+++ b/science/bagel/Makefile
@@ -1,62 +1,62 @@
 PORTNAME=	bagel
 DISTVERSIONPREFIX=	v
 DISTVERSION=	1.2.2-132
-PORTREVISION=	18
 DISTVERSIONSUFFIX=	-g2955e4d1a
+PORTREVISION=	19
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Brilliantly Advanced General Electronic-structure Library
 WWW=		https://nubakery.org/ \
 		https://github.com/qsimulate-open/bagel
 
 LICENSE=	GPLv3
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 BROKEN_armv7=	error: static_assert failed "size_t is assumed to be the same size as unsigned long long"
 BROKEN_i386=	error: static_assert failed "size_t is assumed to be the same size as unsigned long long"
 
 LIB_DEPENDS=	libboost_serialization.so:devel/boost-libs
 TEST_DEPENDS=	cblas>0:math/cblas
 
 USES=		autoreconf blaslapack:openblas compiler:c++11-lang fortran gmake libtool localbase python:build
 USE_CXXSTD=	c++11
 USE_LDCONFIG=	yes
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	qsimulate-open
 
 GNU_CONFIGURE=	yes
 CONFIGURE_ARGS=	--datarootdir=${DATADIR}
 
 INSTALL_TARGET=	install-strip
 
 OPTIONS_DEFINE=			MPI LIBXC SCALAPACK SMITH # SLATER (needs a separate lib)
 OPTIONS_DEFAULT=		MPI LIBXC SCALAPACK SMITH
 
 MPI_CONFIGURE_ON=		--with-mpi=openmpi
 MPI_CONFIGURE_OFF=		--with-mpi=no
 MPI_LIB_DEPENDS=		libmpicxx.so:net/mpich # openmpi option erroneously links to mpich (due to a name clash)
 
 LIBXC_DESC=			Build DFT with libxc
 LIBXC_CONFIGURE_WITH=		libxc
 LIBXC_LIB_DEPENDS=		libxc.so:science/libxc
 
 SCALAPACK_DESC=			Use ScaLapack library for parallelized linear algebra
 SCALAPACK_CONFIGURE_ENABLE=	scalapack
 SCALAPACK_VARS=			LDFLAGS+="-lscalapack"
 SCALAPACK_VARS_OFF=		LDFLAGS+="${BLASLIB} ${LAPACKLIB}" # -llapack -lblas are a replacement of libscalapack
 SCALAPACK_LIB_DEPENDS=		libscalapack.so:math/scalapack
 SCALAPACK_IMPLIES=		MPI
 
 SMITH_DESC=			Compile SMITH generated code
 SMITH_CONFIGURE_ENABLE=		smith
 SMITH_IMPLIES=			MPI
 
 TEST_TARGET=			check
 TEST_ARGS=			LDFLAGS+="-lcblas -lblas" ${TEST_TARGET}
 
 post-test: # tests fail, see https://github.com/qsimulate-open/bagel/issues/248
 	@cd ${WRKSRC}/src && ./TestSuite --log_level=all
 
 .include <bsd.port.mk>
diff --git a/science/bagel/files/patch-src_scf_ks_xcfunc.h b/science/bagel/files/patch-src_scf_ks_xcfunc.h
new file mode 100644
index 000000000000..0004f3c0ac0d
--- /dev/null
+++ b/science/bagel/files/patch-src_scf_ks_xcfunc.h
@@ -0,0 +1,10 @@
+--- src/scf/ks/xcfunc.h.orig	2026-04-20 18:27:14 UTC
++++ src/scf/ks/xcfunc.h
+@@ -33,6 +33,7 @@
+ #include <bagel_config.h>
+ #ifdef HAVE_XC_H
+ #include <xc.h> // header provided by libxc
++#include <xc_funcs.h>
+ #endif
+ 
+ namespace bagel {
diff --git a/science/helfem/Makefile b/science/helfem/Makefile
index 8b9147f44dd0..314a717586c7 100644
--- a/science/helfem/Makefile
+++ b/science/helfem/Makefile
@@ -1,29 +1,29 @@
 PORTNAME=	helfem
 DISTVERSION=	g20251026
-PORTREVISION=	1
+PORTREVISION=	2
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Finite element methods for electronic structure calculations
 WWW=		https://github.com/susilehtola/HelFEM
 
 LICENSE=	GPLv2
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 LIB_DEPENDS=	libarmadillo.so:math/armadillo \
 		libgsl.so:math/gsl \
 		libhdf5_cpp.so:science/hdf5 \
 		libsz.so:science/libaec \
 		libxc.so:science/libxc
 
 USES=		cmake fortran
 USE_CXXSTD=	c++14
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	susilehtola
 GH_PROJECT=	HelFEM
 GH_TAGNAME=	ca3fa54
 
 CMAKE_ON=	HELFEM_FIND_DEPS BUILD_SHARED_LIBS
 
 .include <bsd.port.mk>
diff --git a/science/jdftx/Makefile b/science/jdftx/Makefile
index 96c88a2564c6..0091a26e0b0c 100644
--- a/science/jdftx/Makefile
+++ b/science/jdftx/Makefile
@@ -1,58 +1,58 @@
 PORTNAME=	jdftx
 DISTVERSIONPREFIX=	v
 DISTVERSION=	1.7.0
-PORTREVISION=	8
+PORTREVISION=	9
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Software for joint density functional theory in chemistry
 WWW=		https://jdftx.org/
 
 LICENSE=	GPLv3+
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 BUILD_DEPENDS=	bash:shells/bash
 LIB_DEPENDS=	libblas.so:math/blas \
 		libcblas.so:math/cblas \
 		libfftw3.so:math/fftw3 \
 		libgsl.so:math/gsl \
 		liblapack.so:math/lapack
 RUN_DEPENDS=	bash:shells/bash
 TEST_DEPENDS=	bash:shells/bash
 
 USES=		compiler:c++11-lang cmake fortran localbase:ldflags shebangfix
 SHEBANG_GLOB=	*.sh
 SHEBANG_FILES=	scripts/*
 SHEBANG_LANG=	octave
 USE_GITHUB=	yes
 GH_ACCOUNT=	shankar1729
 USE_LDCONFIG=	yes
 
 TEST_TARGET=	test
 
 WRKSRC_SUBDIR=	${PORTNAME}
 
 CMAKE_ARGS=	-DLAPACK_LIBRARIES:STRING="-llapack -lblas"
 
 OPTIONS_DEFINE=		MPI LIBXC HDF5 SCALAPACK OCTAVE
 OPTIONS_DEFAULT=	MPI LIBXC
 
 MPI_CMAKE_BOOL=		EnableMPI
 MPI_LIB_DEPENDS=	libmpich.so:net/mpich
 
 LIBXC_DESC=		Use LibXC for additional exchange-correlation functionals
 LIBXC_CMAKE_BOOL=	EnableLibXC
 LIBXC_LIB_DEPENDS=	libxc.so:science/libxc
 
 HDF5_CMAKE_BOOL=	EnableHDF5
 HDF5_LIB_DEPENDS=	libhdf5.so:science/hdf5
 HDF5_BROKEN=		use of undeclared identifier 'H5Pset_dxpl_mpio' # https://github.com/shankar1729/jdftx/issues/37
 
 SCALAPACK_DESC=		Enable ScaLAPACK support
 SCALAPACK_CMAKE_BOOL=	EnableScaLAPACK
 SCALAPACK_LIB_DEPENDS=	libscalapack.so:math/scalapack
 
 OCTAVE_DESC=		With Octave support (only for one script: dryRunToPDB)
 OCTAVE_RUN_DEPENDS=	octave:math/octave
 
 .include <bsd.port.mk>
diff --git a/science/jdftx/files/patch-CMakeLists.txt b/science/jdftx/files/patch-CMakeLists.txt
index 3c9bf7e13e53..65a3be9891ab 100644
--- a/science/jdftx/files/patch-CMakeLists.txt
+++ b/science/jdftx/files/patch-CMakeLists.txt
@@ -1,37 +1,37 @@
---- CMakeLists.txt.orig	2018-08-24 15:03:02 UTC
+--- CMakeLists.txt.orig	2022-01-04 20:31:13 UTC
 +++ CMakeLists.txt
-@@ -97,7 +97,7 @@ if(EnableMPI)
+@@ -104,7 +104,7 @@ endif()
  	add_definitions("-DMPI_ENABLED")
  endif()
  
 -option(EnableLibXC "Use LibXC to provide additional exchange-correlation functionals")
 +option(EnableLibXC "Use LibXC to provide additional exchange-correlation functionals" OFF)
  if(EnableLibXC)
  	find_package(LIBXC REQUIRED)
  	include_directories(${LIBXC_INCLUDE_DIR})
-@@ -223,7 +223,7 @@ endif()
+@@ -232,7 +232,7 @@ add_library(jdftxlib ${LINK_TYPE} ${jdftxlibSources})
  #Library with all the functionality:
  FILE(GLOB jdftxlibSources core/*.cpp fluid/*.cpp electronic/*.cpp commands/*.cpp)
  add_library(jdftxlib ${LINK_TYPE} ${jdftxlibSources})
 -target_link_libraries(jdftxlib ${EXTERNAL_LIBS})
 +target_link_libraries(jdftxlib ${EXTERNAL_LIBS} -lexecinfo) # execinfo only for libxc?
  set_target_properties(jdftxlib PROPERTIES OUTPUT_NAME "jdftx")
+ install(TARGETS jdftxlib LIBRARY DESTINATION lib ARCHIVE DESTINATION lib)
  set_JDFTx_flags(jdftxlib OFF)
- 
-@@ -232,6 +232,16 @@ set_JDFTx_flags(jdftxlib OFF)
+@@ -241,6 +241,16 @@ option(EnableCuSolver "Whether to use cuSolver GPU LAP
+ #----- Add another set of libraries and executables with a _gpu suffix
  option(EnableCUDA "Enable NVIDIA GPU support using CUDA" OFF)
  option(EnableCuSolver "Whether to use cuSolver GPU LAPACK (Requires CUDA >= 9)" OFF)
- 
++
 +include(CheckFunctionExists)
 +CHECK_FUNCTION_EXISTS(sincos HAVE_SINCOS_FUNCTION)
 +
 +if(NOT HAVE_SINCOS_FUNCTION)
 +  MESSAGE("Do not have function sincos")
 +  add_definitions("-DMISSING_SINCOS_FUNCTION")
 +else()
 +  MESSAGE("Found function sincos")
 +endif()
-+
+ 
  if(EnableCUDA)
  	find_package(CUDA REQUIRED)
- 	set(CUDA_ARCH "compute_35" CACHE STRING "CUDA virtual architecture to compile for")
diff --git a/science/jdftx/files/patch-commands_elec__ex__corr.cpp b/science/jdftx/files/patch-commands_elec__ex__corr.cpp
new file mode 100644
index 000000000000..b8a37ceff13b
--- /dev/null
+++ b/science/jdftx/files/patch-commands_elec__ex__corr.cpp
@@ -0,0 +1,10 @@
+--- commands/elec_ex_corr.cpp.orig	2026-04-20 16:31:08 UTC
++++ commands/elec_ex_corr.cpp
+@@ -76,6 +76,7 @@ EnumStringMap<KineticType> kineticDescriptionMap(
+ 
+ #ifdef LIBXC_ENABLED
+ #include <xc.h>
++#include <xc_funcs.h>
+ #include <xcMap.h> //autogenerated during cmake
+ 
+ //Get description by temporarily initializing functional:
diff --git a/science/libxc/Makefile b/science/libxc/Makefile
index 38fa9487e013..3e9696cd14f9 100644
--- a/science/libxc/Makefile
+++ b/science/libxc/Makefile
@@ -1,28 +1,29 @@
 PORTNAME=	libxc
-DISTVERSION=	6.2.2
+DISTVERSION=	7.0.0
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Library of exchange-correlation functionals for DFT
 WWW=		https://gitlab.com/libxc/libxc
 
 LICENSE=	MPL20
 LICENSE_FILE=	${WRKSRC}/COPYING
 
 TEST_DEPENDS=	bash:shells/bash
 
 USES=		cmake:testing fortran python
 USE_LDCONFIG=	yes
 
 USE_GITLAB=	yes
-GL_TAGNAME=	0a19bedb24d258b2019eb2d027c1b1039d3e6503
 
 CMAKE_ON=	BUILD_SHARED_LIBS ENABLE_FORTRAN ENABLE_PYTHON
 CMAKE_OFF=	BUILD_TESTING DISABLE_KXC ENABLE_XHOST
 
 pre-configure:
 	${REINPLACE_CMD} -e 's|$${CMAKE_INSTALL_LIBDIR}/pylibxc$$|${PYTHONPREFIX_SITELIBDIR}/pylibxc|'	\
 		-e 's|$${CMAKE_INSTALL_PREFIX}/$${CMAKE_INSTALL_LIBDIR}/pylibxc/|${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/pylibxc/|'\
 		${WRKSRC}/CMakeLists.txt
 
+# tests as of 7.0.0: 100% tests passed, 0 tests failed out of 20556
+
 .include <bsd.port.mk>
diff --git a/science/libxc/distinfo b/science/libxc/distinfo
index ddd838272150..f884d610dac1 100644
--- a/science/libxc/distinfo
+++ b/science/libxc/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1712202616
-SHA256 (libxc-libxc-0a19bedb24d258b2019eb2d027c1b1039d3e6503_GL0.tar.gz) = a32d358c7e83715333cd351b8fbd4ad890b81dd53a9e54a5c9ba5e9341210e9a
-SIZE (libxc-libxc-0a19bedb24d258b2019eb2d027c1b1039d3e6503_GL0.tar.gz) = 65298815
+TIMESTAMP = 1776702032
+SHA256 (libxc-7.0.0.tar.bz2) = e9ae69f8966d8de6b7585abd9fab588794ada1fab8f689337959a35abbf9527d
+SIZE (libxc-7.0.0.tar.bz2) = 52408700
diff --git a/science/libxc/pkg-plist b/science/libxc/pkg-plist
index 45cc2260d2a1..61ad4a33522e 100644
--- a/science/libxc/pkg-plist
+++ b/science/libxc/pkg-plist
@@ -1,31 +1,28 @@
 bin/xc-info
 include/xc.h
+include/xc_f03_funcs_m.mod
 include/xc_f03_lib_m.mod
-include/xc_f90_lib_m.mod
 include/xc_funcs.h
 include/xc_funcs_removed.h
 include/xc_funcs_worker.h
 include/xc_version.h
 lib/cmake/Libxc/LibxcConfig.cmake
 lib/cmake/Libxc/LibxcConfigVersion.cmake
 lib/cmake/Libxc/LibxcTargets-C-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/Libxc/LibxcTargets-C.cmake
 lib/cmake/Libxc/LibxcTargets-Fortran-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/Libxc/LibxcTargets-Fortran.cmake
 lib/libxc.so
-lib/libxc.so.12
+lib/libxc.so.15
 lib/libxcf03.so
-lib/libxcf03.so.12
-lib/libxcf90.so
-lib/libxcf90.so.12
+lib/libxcf03.so.15
 %%PYTHON_SITELIBDIR%%/pylibxc/__init__.py
 %%PYTHON_SITELIBDIR%%/pylibxc/core.py
 %%PYTHON_SITELIBDIR%%/pylibxc/flags.py
 %%PYTHON_SITELIBDIR%%/pylibxc/functional.py
 %%PYTHON_SITELIBDIR%%/pylibxc/libxc.so
 %%PYTHON_SITELIBDIR%%/pylibxc/structs.py
 %%PYTHON_SITELIBDIR%%/pylibxc/util.py
 %%PYTHON_SITELIBDIR%%/pylibxc/version.py
 libdata/pkgconfig/libxc.pc
 libdata/pkgconfig/libxcf03.pc
-libdata/pkgconfig/libxcf90.pc
diff --git a/science/madness/Makefile b/science/madness/Makefile
index 16b551ac2834..cf7c2571253e 100644
--- a/science/madness/Makefile
+++ b/science/madness/Makefile
@@ -1,35 +1,35 @@
 PORTNAME=	madness
 DISTVERSION=	0.10.1.20180823
-PORTREVISION=	18
+PORTREVISION=	19
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Multiresolution adaptive numeric environment for scientific simulation
 WWW=		https://github.com/m-a-d-n-e-s-s/madness
 
 LICENSE=	GPLv2
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 BUILD_DEPENDS=	libsysinfo>0:devel/libsysinfo
 LIB_DEPENDS=	libblas.so:math/blas \
 		liblapack.so:math/lapack \
 		libmpich.so:net/mpich \
 		libtcmalloc.so:devel/google-perftools \
 		libxc.so:science/libxc
 
 USES=		cmake compiler:c++14-lang fortran localbase:ldflags python:build
 USE_GITHUB=	yes
 GH_ACCOUNT=	m-a-d-n-e-s-s
 GH_TAGNAME=	ebb3fd7
 USE_LDCONFIG=	yes
 
 CMAKE_ARGS=	-DLAPACK_LIBRARIES:STRING="-L${LOCALBASE}/lib -llapack -lblas -L${LOCALBASE}/lib/gcc${GCC_DEFAULT} -lgcc_s" -DPYTHON_EXECUTABLE=${PYTHON_CMD}
 
 OPTIONS_DEFINE=		TBB
 #OPTIONS_DEFAULT=	TBB # oneTBB support needs to be fixed: https://github.com/m-a-d-n-e-s-s/madness/issues/366
 
 TBB_DESC=		Enables use of Intel Thread Building Blocks
 TBB_CMAKE_BOOL=		ENABLE_TBB
 TBB_LIB_DEPENDS=	libtbb.so:devel/tbb
 
 .include <bsd.port.mk>
diff --git a/science/openmolcas/Makefile b/science/openmolcas/Makefile
index 0485a6c8d024..0a9357a84d81 100644
--- a/science/openmolcas/Makefile
+++ b/science/openmolcas/Makefile
@@ -1,66 +1,67 @@
 PORTNAME=	openmolcas
 DISTVERSION=	26.02
+PORTREVISION=	1
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Quantum chemistry software package
 WWW=		https://gitlab.com/Molcas/OpenMolcas
 
 LICENSE=	LGPL21
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 BROKEN_armv7=	build breaks: Symbol 'maxfilesize' at (1) has no IMPLICIT type; did you mean 'mxfile'? - see https://gitlab.com/Molcas/OpenMolcas/-/issues/375
 BROKEN_i386=	build breaks: Symbol 'maxfilesize' at (1) has no IMPLICIT type; did you mean 'mxfile'? - see https://gitlab.com/Molcas/OpenMolcas/-/issues/375
 
 BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pyparsing>0:devel/py-pyparsing@${PY_FLAVOR} \
 		chemps2:science/chemps2
 LIB_DEPENDS=	libhdf5.so:science/hdf5 \
 		libsz.so:science/libaec \
 		libxc.so:science/libxc
 
 USES=		cmake:testing fortran python shebangfix
 USE_GCC=	yes # see https://gitlab.com/Molcas/OpenMolcas/-/issues/351
 
 USE_GITLAB=	yes
 GL_ACCOUNT=	Molcas
 GL_PROJECT=	OpenMolcas
 GL_TAGNAME=	3cb6f2cd61a5d482611d85c47dcb61f8d51d50ba
 
 USE_GITHUB=	nodefault
 GH_TUPLE=	Reference-LAPACK:lapack:04b044e0:lapack/External/lapack \
 		ilyak:libefp:7d1ff5fd:libefp/External/efp \
 		mcodev31:libmsym:0e0b831c:libmsym/External/libmsym \
 		libwfa:libwfa:a44aca25:libwfa/External/libwfa
 
 SHEBANG_FILES=	sbin/help_doc sbin/help_func sbin/help_basis sbin/setup sbin/verify sbin/version
 SHEBANG_GLOB=	*.py
 
 CMAKE_ON=	CHEMPS2 EFPLIB MSYM # TODO GEN1INT - package doesn't install itself, WFA - breaks due to https://gitlab.com/conradsnicta/armadillo-code/-/issues/216
 CMAKE_ARGS=	-DEXTERNAL_LIBXC:STRING=${LOCALBASE} \
 		-DFREEBSD_PYTHON_VER:STRING=${PYTHON_VER}
 CMAKE_OFF=	BUILD_TESTING
 
 CMAKE_INSTALL_PREFIX=	${DATADIR} # installed into DATADIR because it doesn't respect UNIX file path conventions, see https://gitlab.com/Molcas/OpenMolcas/-/issues/352
 
 BINARY_ALIAS=	cpp=${CPP} # cpp is called from cmake scripts
 BINARY_ALIAS+=	python3=${PYTHON_CMD} # cpp is called from cmake scripts
 
 post-patch:
 	# fix python path
 	@${REINPLACE_CMD} -e "s|'/usr/bin/env python3'|'${PYTHON_CMD}'|" ${WRKSRC}/Tools/pymolcas/export.py
 
 post-install:
 	# remove unused static libraries, see https://gitlab.com/Molcas/OpenMolcas/-/issues/354
 	@${RM} -r ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/lib
 	# remove unnecessary fines
 	@${RM} ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/CONTRIBUTORS.md
 	@${RM} ${STAGEDIR}${CMAKE_INSTALL_PREFIX}/LICENSE
 	# remove empty include directory
 	@${RMDIR} ${STAGEDIR}${DATADIR}/include
 	# remove empty doc directory
 	@${RMDIR} ${STAGEDIR}${DATADIR}/doc
 
 post-test: # A total of 5 test(s) failed, with 3 critical failure(s), see https://gitlab.com/Molcas/OpenMolcas/-/issues/369
 	@cd ${BUILD_WRKSRC} && ${STAGEDIR}${DATADIR}/pymolcas verify
 
 .include <bsd.port.mk>
diff --git a/science/sirius/Makefile b/science/sirius/Makefile
index b3c68c5de6f3..820d98aa8df4 100644
--- a/science/sirius/Makefile
+++ b/science/sirius/Makefile
@@ -1,51 +1,52 @@
 PORTNAME=	sirius
 DISTVERSIONPREFIX=	v
 DISTVERSION=	7.10.0
+PORTREVISION=	1
 CATEGORIES=	science
 PKGNAMESUFFIX=	-quantum-chemistry # other software also has the name "sirius"
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Domain specific library for electronic structure calculations
 WWW=		https://github.com/electronic-structure/SIRIUS/
 
 LICENSE=	BSD3CLAUSE
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 LIB_DEPENDS=	libcosta.so:math/costa \
 		libfmt.so:devel/libfmt \
 		libgsl.so:math/gsl \
 		libhdf5.so:science/hdf5 \
 		libopenblas.so:math/openblas \
 		libscalapack.so:math/scalapack \
 		libspfft.so:math/spfft \
 		libspla.so:math/spla \
 		libsymspg.so:science/spglib \
 		libxc.so:science/libxc
 
 USES=		cmake:testing compiler:c++14-lang eigen:3,test fortran pkgconfig
 USE_GITHUB=	yes
 GH_ACCOUNT=	electronic-structure
 GH_PROJECT=	SIRIUS
 USE_LDCONFIG=	yes
 
 CMAKE_OFF=	SIRIUS_USE_MEMORY_POOL # depends on umpire - not yet ported
 
 OPTIONS_DEFAULT=	MPICH # NLCGLIB
 OPTIONS_DEFINE=		NLCGLIB
 OPTIONS_SINGLE=		MPI
 OPTIONS_SINGLE_MPI=	MPICH OPENMPI
 
 NLCGLIB_DESC=		Enable nlcglib
 
 MPICH_USES=		mpi:mpich
 NLCGLIB_LIB_DEPENDS=	libnlcglib.so:science/nlcglib \
 			libkokkoscore.so:devel/kokkos
 NLCGLIB_CMAKE_BOOL=	USE_NLCGLIB
 
 OPENMPI_USES=		mpi:openmpi
 
 # pre-7.4.0: many tests fail, see https://github.com/electronic-structure/SIRIUS/issues/760
 # 7.6.0: several tests fail: Can't divide 1 ranks into groups of size 4
 # 7.7.0: tests fail to compile, see https://github.com/electronic-structure/SIRIUS/issues/1070
 
 .include <bsd.port.mk>
diff --git a/science/votca/Makefile b/science/votca/Makefile
index 34386f43f3c4..f5b20734bd72 100644
--- a/science/votca/Makefile
+++ b/science/votca/Makefile
@@ -1,77 +1,79 @@
 PORTNAME=	votca
 DISTVERSIONPREFIX=	v
 DISTVERSION=	2026
-PORTREVISION=	1
+PORTREVISION=	2
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	CSG and XTP: libraries for atomistic simulations
 WWW=		https://www.votca.org/ \
 		https://github.com/votca/votca
 
 LICENSE=	APACHE20
 
 BROKEN_i386=		undefined reference to `__atomic_load' # '
 
 PY_DEPENDS=	\
 		${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}lxml>0:devel/py-lxml@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}xmltodict>0:devel/py-xmltodict@${PY_FLAVOR} \
 		rdkit>0:science/rdkit
 BUILD_DEPENDS=	bash:shells/bash \
 		lmp:science/lammps \
 		${PY_DEPENDS}
 LIB_DEPENDS=	libboost_program_options.so:devel/boost-libs \
 		libecpint.so:science/libecpint \
 		libexpat.so:textproc/expat2 \
 		libfftw3.so:math/fftw3 \
 		libgromacs_d.so:science/gromacs \
 		libhdf5.so:science/hdf5 \
 		libint2.so:science/libint2 \
 		libsz.so:science/libaec \
 		libxc.so:science/libxc
 RUN_DEPENDS=	bash:shells/bash \
 		${PYTHON_PKGNAMEPREFIX}numpy1>=1.16:math/py-numpy1@${PY_FLAVOR} \
 		${PY_DEPENDS}
 TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR}
 
 USES=		cmake compiler:c++14-lang eigen:3 perl5 pkgconfig python:run \
 		shebangfix
 USE_GITHUB=	yes
 USE_LDCONFIG=	yes
 
 SHEBANG_GLOB=	*.sh *.pl *.py
 SHEBANG_FILES=	tools/scripts/votca_compare tools/scripts/votca_help2doc \
 		xtp/scripts/xtp_update_mapfile xtp/scripts/xtp_basisset xtp/share/benchmark/xtp_benchmark xtp/scripts/xtp_autogen_mapping \
 		xtp/scripts/xtp_modify_jobfile \
 		xtp/scripts/xtp_qmmm2qm
 
 CXXFLAGS+=	-DBOOST_TIMER_ENABLE_DEPRECATED
 
 CMAKE_ON=	BUILD_XTP \
 		CMAKE_DISABLE_FIND_PACKAGE_SPHINX
 CMAKE_OFF=	INJECT_MARCH_NATIVE
 CMAKE_ARGS=	-DLOCALBASE=${LOCALBASE} -DPython_EXECUTABLE=${PYTHON_CMD}
+CONFIGURE_ENV+=	PYTHONDONTWRITEBYTECODE=1
+MAKE_ENV+=	PYTHONDONTWRITEBYTECODE=1
 
-BINARY_ALIAS=	python3=${PYTHON_CMD}
+BINARY_ALIAS=	python3=${PYTHON_CMD} gfortran=gfortran14
 
 OPTIONS_DEFINE=		APPS
 OPTIONS_DEFAULT=	APPS
 OPTIONS_SUB=		yes
 
 APPS_DESC=		Build applications
 APPS_CMAKE_BOOL=	INSTALL_CSGAPPS
 
 post-install: # workaround for https://github.com/votca/votca/issues/1173
 	@${RM} -r ${STAGEDIR}${PREFIX}/lib/python.
 
 do-test: # several tests fail, see https://github.com/votca/votca/issues/1098
 	@cd ${BUILD_WRKSRC} && \
 		${SETENV} ${CONFIGURE_ENV} ${CMAKE_BIN} ${CMAKE_ARGS} -DENABLE_TESTING:BOOL=ON ${CMAKE_SOURCE_PATH} && \
 		${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \
 		${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} test
 
 # tests as of 2026: 100% tests passed, 0 tests failed out of 248
 
 .include <bsd.port.mk>
diff --git a/science/votca/files/patch-xtp_include_votca_xtp_qmstate.h b/science/votca/files/patch-xtp_include_votca_xtp_qmstate.h
index 9c37972ef3f9..904c7baec5f8 100644
--- a/science/votca/files/patch-xtp_include_votca_xtp_qmstate.h
+++ b/science/votca/files/patch-xtp_include_votca_xtp_qmstate.h
@@ -1,10 +1,10 @@
---- xtp/include/votca/xtp/qmstate.h.orig	2025-10-03 18:44:55 UTC
+--- xtp/include/votca/xtp/qmstate.h.orig	2026-03-09 18:52:35 UTC
 +++ xtp/include/votca/xtp/qmstate.h
-@@ -23,6 +23,7 @@
- 
+@@ -24,6 +24,7 @@
  // Standard includes
+ #include <cassert>
  #include <string>
 +#include <cassert>
  
  // VOTCA includes
  #include <votca/tools/types.h>
diff --git a/science/votca/files/patch-xtp_src_pyxtp_pyproject.toml b/science/votca/files/patch-xtp_src_pyxtp_pyproject.toml
new file mode 100644
index 000000000000..30702c515856
--- /dev/null
+++ b/science/votca/files/patch-xtp_src_pyxtp_pyproject.toml
@@ -0,0 +1,11 @@
+--- xtp/src/pyxtp/pyproject.toml.orig	2026-04-20 19:20:56 UTC
++++ xtp/src/pyxtp/pyproject.toml
+@@ -9,7 +9,7 @@ authors = [
+   { name="Bjoern Baumeier", email="bjoernbaumeier@gmail.com" },
+ ]
+ 
+-dependencies = ["ase", "xmltodict", "h5py", "lxml", "rdkit"]
++dependencies = ["ase", "xmltodict", "h5py", "lxml"]
+ 
+ [tool.pytest.ini_options]
+ addopts = [