2024-10-19 18:48:25 UTC

11 files changed, 29 insertions, 28 deletions

diff --git a/metadata/md5-cache/dev-python/xarray-2024.9.0 b/metadata/md5-cache/dev-python/xarray-2024.9.0
index 4161621ec9d3..3f496c928d0c 100644
--- a/metadata/md5-cache/dev-python/xarray-2024.9.0
+++ b/metadata/md5-cache/dev-python/xarray-2024.9.0
@@ -5,7 +5,7 @@ EAPI=8
 HOMEPAGE=https://xarray.pydata.org/ https://github.com/pydata/xarray/ https://pypi.org/project/xarray/
 INHERIT=distutils-r1 pypi
 IUSE=big-endian test python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 python_targets_python3_13
-KEYWORDS=~amd64 ~arm64 ~riscv ~x86
+KEYWORDS=amd64 ~arm64 ~riscv ~x86
 LICENSE=Apache-2.0
 RDEPEND=<dev-python/numpy-2.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?,python_targets_python3_13(-)?] >=dev-python/numpy-1.24[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?,python_targets_python3_13(-)?] >=dev-python/pandas-2.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?,python_targets_python3_13(-)?] >=dev-python/packaging-23.1[python_targets_python3_10(-)?,python_targets_python3_11(-)?,python_targets_python3_12(-)?,python_targets_python3_13(-)?] python_targets_python3_10? ( dev-lang/python:3.10 ) python_targets_python3_11? ( dev-lang/python:3.11 ) python_targets_python3_12? ( dev-lang/python:3.12 ) python_targets_python3_13? ( dev-lang/python:3.13 )
 REQUIRED_USE=|| ( python_targets_python3_10 python_targets_python3_11 python_targets_python3_12 python_targets_python3_13 )
@@ -13,4 +13,4 @@ RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://files.pythonhosted.org/packages/source/x/xarray/xarray-2024.9.0.tar.gz
 _eclasses_=toolchain-funcs	d3d42b22a610ce81c267b644bcec9b87	multilib	b2a329026f2e404e9e371097dda47f96	flag-o-matic	f14aba975c94ccaa9f357a27e3b17ffe	out-of-source-utils	dbf9e34ee8964084651e25907fa8f52c	multibuild	4650a65187015567b4e041bb9bfdb364	multiprocessing	1e32df7deee68372153dca65f4a7c21f	ninja-utils	2df4e452cea39a9ec8fb543ce059f8d6	python-utils-r1	2fee95c11e5f883024588d4837db6802	python-r1	2def7a4ce233dfa344f613025c619a23	distutils-r1	bcc61b7696f06db333c2f2db1606ed76	pypi	ad1b21f87d117ae9bb089bdb65b8f013
-_md5_=23028a7930fe3f69e355434698aa85b9
+_md5_=e36932f0f4391995c37b893fa3fc49af
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1
index 97e492ac312a..b99666d6ed38 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.7-r1
@@ -1,4 +1,4 @@
-BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:= ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
+BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:= ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
@@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1
 IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12
 KEYWORDS=amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:= ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
+RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:= ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 )
 RESTRICT=!test? ( test )
 SLOT=0/2020.7
 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2020.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.7.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2020.7.tar.gz )
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-_md5_=7164f6d5a59e991b3e31d7cd931cdaa5
+_md5_=d86d9c2af90ecc082182475f40f8aa21
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1
index ab1f2f7e3fcc..1a6a6c0cce20 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.7-r1
@@ -1,4 +1,4 @@
-BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
+BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
@@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1
 IUSE=X blas cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12
 KEYWORDS=amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
+RDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 )
 RESTRICT=!test? ( test )
 SLOT=0/2021.7
 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.7.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.7.tar.gz )
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-_md5_=c849542eba2fbee7ce887e8ea845ac98
+_md5_=9bf5241f1dad63b07da850f63ff8840b
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.6 b/metadata/md5-cache/sci-chemistry/gromacs-2022.6
index 99466b66e514..df0fec16c5f4 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2022.6
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.6
@@ -1,4 +1,4 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
@@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1
 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12
 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) <sci-chemistry/dssp-4
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) <sci-chemistry/dssp-4
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 )
 RESTRICT=!test? ( test )
 SLOT=0/2022.6
 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.6.tar.gz )
 _eclasses_=toolchain-funcs	d3d42b22a610ce81c267b644bcec9b87	multilib	b2a329026f2e404e9e371097dda47f96	bash-completion-r1	767861f3744f589ee5291c1698b1c082	flag-o-matic	f14aba975c94ccaa9f357a27e3b17ffe	multiprocessing	1e32df7deee68372153dca65f4a7c21f	ninja-utils	2df4e452cea39a9ec8fb543ce059f8d6	xdg-utils	42869b3c8d86a70ef3cf75165a395e09	cmake	10a50dfaf728b802fcfd37f8d0da9056	cuda	283d0f298f6c196c755a0f8d50daca85	out-of-source-utils	dbf9e34ee8964084651e25907fa8f52c	multibuild	4650a65187015567b4e041bb9bfdb364	python-utils-r1	2fee95c11e5f883024588d4837db6802	python-single-r1	47d8ac9be330c9366112b78fd4f8ce57	distutils-r1	bcc61b7696f06db333c2f2db1606ed76	readme.gentoo-r1	b045f3acf546393ab6b3170781875358
-_md5_=54b2680c16d057b98219041b3fef8962
+_md5_=bb6c6f92ea1ce515df9ea20a566f86ab
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.5 b/metadata/md5-cache/sci-chemistry/gromacs-2023.5
index 93518507c8ad..8844f950622b 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2023.5
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.5
@@ -1,4 +1,4 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
@@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1
 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12
 KEYWORDS=~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 )
 RESTRICT=!test? ( test )
 SLOT=0/2023.5
 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023.5.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023.5.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023.5.tar.gz )
 _eclasses_=toolchain-funcs	d3d42b22a610ce81c267b644bcec9b87	multilib	b2a329026f2e404e9e371097dda47f96	bash-completion-r1	767861f3744f589ee5291c1698b1c082	flag-o-matic	f14aba975c94ccaa9f357a27e3b17ffe	multiprocessing	1e32df7deee68372153dca65f4a7c21f	ninja-utils	2df4e452cea39a9ec8fb543ce059f8d6	xdg-utils	42869b3c8d86a70ef3cf75165a395e09	cmake	10a50dfaf728b802fcfd37f8d0da9056	cuda	283d0f298f6c196c755a0f8d50daca85	out-of-source-utils	dbf9e34ee8964084651e25907fa8f52c	multibuild	4650a65187015567b4e041bb9bfdb364	python-utils-r1	2fee95c11e5f883024588d4837db6802	python-single-r1	47d8ac9be330c9366112b78fd4f8ce57	distutils-r1	bcc61b7696f06db333c2f2db1606ed76	readme.gentoo-r1	b045f3acf546393ab6b3170781875358
-_md5_=2913fa98274b71a930f88d0aaee5c3fd
+_md5_=52e25c468ee19df608f1ad63e33f9a26
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999
index 0d08fe825b06..017510d7eb10 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999
@@ -1,4 +1,4 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
@@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1
 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
 PROPERTIES=live
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 )
 RESTRICT=!test? ( test )
 SLOT=0/2023.9999
 _eclasses_=toolchain-funcs	d3d42b22a610ce81c267b644bcec9b87	multilib	b2a329026f2e404e9e371097dda47f96	bash-completion-r1	767861f3744f589ee5291c1698b1c082	flag-o-matic	f14aba975c94ccaa9f357a27e3b17ffe	multiprocessing	1e32df7deee68372153dca65f4a7c21f	ninja-utils	2df4e452cea39a9ec8fb543ce059f8d6	xdg-utils	42869b3c8d86a70ef3cf75165a395e09	cmake	10a50dfaf728b802fcfd37f8d0da9056	cuda	283d0f298f6c196c755a0f8d50daca85	out-of-source-utils	dbf9e34ee8964084651e25907fa8f52c	multibuild	4650a65187015567b4e041bb9bfdb364	python-utils-r1	2fee95c11e5f883024588d4837db6802	python-single-r1	47d8ac9be330c9366112b78fd4f8ce57	distutils-r1	bcc61b7696f06db333c2f2db1606ed76	readme.gentoo-r1	b045f3acf546393ab6b3170781875358	git-r3	875eb471682d3e1f18da124be97dcc81
-_md5_=2913fa98274b71a930f88d0aaee5c3fd
+_md5_=52e25c468ee19df608f1ad63e33f9a26
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2024.3 b/metadata/md5-cache/sci-chemistry/gromacs-2024.3
index f312781a6c71..d725d7ee8cfd 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2024.3
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2024.3
@@ -1,4 +1,4 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
@@ -7,10 +7,10 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1
 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12
 KEYWORDS=~amd64 -arm ~arm64 ~riscv ~x86 ~amd64-linux ~x86-linux ~x64-macos
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 )
 RESTRICT=!test? ( test )
 SLOT=0/2024.3
 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2024.3.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2024.3.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2024.3.tar.gz )
 _eclasses_=toolchain-funcs	d3d42b22a610ce81c267b644bcec9b87	multilib	b2a329026f2e404e9e371097dda47f96	bash-completion-r1	767861f3744f589ee5291c1698b1c082	flag-o-matic	f14aba975c94ccaa9f357a27e3b17ffe	multiprocessing	1e32df7deee68372153dca65f4a7c21f	ninja-utils	2df4e452cea39a9ec8fb543ce059f8d6	xdg-utils	42869b3c8d86a70ef3cf75165a395e09	cmake	10a50dfaf728b802fcfd37f8d0da9056	cuda	283d0f298f6c196c755a0f8d50daca85	out-of-source-utils	dbf9e34ee8964084651e25907fa8f52c	multibuild	4650a65187015567b4e041bb9bfdb364	python-utils-r1	2fee95c11e5f883024588d4837db6802	python-single-r1	47d8ac9be330c9366112b78fd4f8ce57	distutils-r1	bcc61b7696f06db333c2f2db1606ed76	readme.gentoo-r1	b045f3acf546393ab6b3170781875358
-_md5_=bc9440ee2c526e412faba6dd25dd9650
+_md5_=9c9b2e478c2d89f1ee522b770365b463
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2024.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2024.9999
index 8d35b326f5f1..20a5a1c2e6c0 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2024.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2024.9999
@@ -1,4 +1,4 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
@@ -7,9 +7,9 @@ INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1
 IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
 PROPERTIES=live
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 )
 RESTRICT=!test? ( test )
 SLOT=0/2024.9999
 _eclasses_=toolchain-funcs	d3d42b22a610ce81c267b644bcec9b87	multilib	b2a329026f2e404e9e371097dda47f96	bash-completion-r1	767861f3744f589ee5291c1698b1c082	flag-o-matic	f14aba975c94ccaa9f357a27e3b17ffe	multiprocessing	1e32df7deee68372153dca65f4a7c21f	ninja-utils	2df4e452cea39a9ec8fb543ce059f8d6	xdg-utils	42869b3c8d86a70ef3cf75165a395e09	cmake	10a50dfaf728b802fcfd37f8d0da9056	cuda	283d0f298f6c196c755a0f8d50daca85	out-of-source-utils	dbf9e34ee8964084651e25907fa8f52c	multibuild	4650a65187015567b4e041bb9bfdb364	python-utils-r1	2fee95c11e5f883024588d4837db6802	python-single-r1	47d8ac9be330c9366112b78fd4f8ce57	distutils-r1	bcc61b7696f06db333c2f2db1606ed76	readme.gentoo-r1	b045f3acf546393ab6b3170781875358	git-r3	875eb471682d3e1f18da124be97dcc81
-_md5_=bc9440ee2c526e412faba6dd25dd9650
+_md5_=9c9b2e478c2d89f1ee522b770365b463
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999
index 6c0bb7ede500..be870e1b1d69 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-9999
@@ -1,15 +1,15 @@
-BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hdf5? ( sci-libs/hdf5 ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) nnpot? ( sci-libs/caffe2[cuda=,opencl=] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-text/doxygen python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] dev-python/sphinx-copybutton[python_targets_python3_10(-)] dev-python/sphinx-inline-tabs[python_targets_python3_10(-)] dev-python/sphinx-argparse[python_targets_python3_10(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] dev-python/sphinx-copybutton[python_targets_python3_11(-)] dev-python/sphinx-inline-tabs[python_targets_python3_11(-)] dev-python/sphinx-argparse[python_targets_python3_11(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_11(-)] ) python_single_target_python3_12? ( dev-python/sphinx[python_targets_python3_12(-)] dev-python/sphinx-copybutton[python_targets_python3_12(-)] dev-python/sphinx-inline-tabs[python_targets_python3_12(-)] dev-python/sphinx-argparse[python_targets_python3_12(-)] dev-python/sphinxcontrib-autoprogram[python_targets_python3_12(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) app-alternatives/ninja >=dev-build/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
 HOMEPAGE=https://www.gromacs.org/
 INHERIT=bash-completion-r1 cmake cuda distutils-r1 flag-o-matic readme.gentoo-r1 toolchain-funcs xdg-utils git-r3
-IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12
+IUSE=blas clang clang-cuda cuda +custom-cflags +doc build-manual double-precision +fftw +gmxapi +gmxapi-legacy +hdf5 +hwloc lapack mkl mpi nnpot +offensive opencl openmp +python +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
 PROPERTIES=live
-RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
+RDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11:=[profiler] ) opencl? ( virtual/opencl ) openmp? ( sys-devel/gcc[openmp] sys-devel/clang-runtime[openmp] ) fftw? ( sci-libs/fftw:3.0= ) hdf5? ( sci-libs/hdf5 ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) nnpot? ( sci-libs/caffe2[cuda=,opencl=] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_10? ( dev-lang/python:3.10 ) python_single_target_python3_11? ( dev-lang/python:3.11 ) python_single_target_python3_12? ( dev-lang/python:3.12 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_10 python_single_target_python3_11 python_single_target_python3_12 )
 RESTRICT=!test? ( test )
 SLOT=0/9999
 _eclasses_=toolchain-funcs	d3d42b22a610ce81c267b644bcec9b87	multilib	b2a329026f2e404e9e371097dda47f96	bash-completion-r1	767861f3744f589ee5291c1698b1c082	flag-o-matic	f14aba975c94ccaa9f357a27e3b17ffe	multiprocessing	1e32df7deee68372153dca65f4a7c21f	ninja-utils	2df4e452cea39a9ec8fb543ce059f8d6	xdg-utils	42869b3c8d86a70ef3cf75165a395e09	cmake	10a50dfaf728b802fcfd37f8d0da9056	cuda	283d0f298f6c196c755a0f8d50daca85	out-of-source-utils	dbf9e34ee8964084651e25907fa8f52c	multibuild	4650a65187015567b4e041bb9bfdb364	python-utils-r1	2fee95c11e5f883024588d4837db6802	python-single-r1	47d8ac9be330c9366112b78fd4f8ce57	distutils-r1	bcc61b7696f06db333c2f2db1606ed76	readme.gentoo-r1	b045f3acf546393ab6b3170781875358	git-r3	875eb471682d3e1f18da124be97dcc81
-_md5_=bc9440ee2c526e412faba6dd25dd9650
+_md5_=8cc64e294f90009d2ee6d9d600fb80fa
diff --git a/metadata/timestamp.chk b/metadata/timestamp.chk
index 4ddb56a7cefa..5755d3a4fdbf 100644
--- a/metadata/timestamp.chk
+++ b/metadata/timestamp.chk
@@ -1 +1 @@
-Sat, 19 Oct 2024 18:33:25 +0000
+Sat, 19 Oct 2024 18:48:25 +0000
diff --git a/profiles/use.local.desc b/profiles/use.local.desc
index 46b551ae52cb..887289fbe85c 100644
--- a/profiles/use.local.desc
+++ b/profiles/use.local.desc
@@ -7104,6 +7104,7 @@ sci-chemistry/gromacs:gmxapi-legacy - Enable installing lagacy headers
 sci-chemistry/gromacs:hwloc - Enable HWLoc lib support
 sci-chemistry/gromacs:lmfit - Use external sci-libs/lmfit
 sci-chemistry/gromacs:mkl - Use sci-libs/mkl for fft, blas, lapack routines
+sci-chemistry/gromacs:nnpot - Allow to use sci-libs/caffe2 for NN Potentials
 sci-chemistry/gromacs:offensive - Enable gromacs partly offensive quotes
 sci-chemistry/gromacs:opencl - Enable opencl non-bonded kernels
 sci-chemistry/gromacs:single-precision - Single precision version of gromacs (default)