gentoo auto-resync : 07:02:2023 - 15:25:18

31 files changed, 98 insertions, 115 deletions

diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2
index 6e9c51c17b1b..6047f7e39a4c 100644
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.2
@@ -1,4 +1,4 @@
-BDEPEND=dev-python/six[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) test? ( dev-python/six[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-7.1.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) >=dev-python/gpep517-9[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-65.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
+BDEPEND=dev-python/six[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/pandas-0.17[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) test? ( dev-python/six[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/gpep517-13[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
 DEFINED_PHASES=compile configure install prepare test unpack
 DESCRIPTION=Python framework for Gromacs
 EAPI=7
@@ -7,10 +7,10 @@ INHERIT=distutils-r1 vcs-snapshot
 IUSE=test python_targets_python3_9 python_targets_python3_10
 KEYWORDS=~amd64 ~x86
 LICENSE=GPL-3 LGPL-3
-RDEPEND=dev-python/six[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
+RDEPEND=dev-python/six[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/numkit[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
 REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.2.tar.gz -> GromacsWrapper-0.8.2.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	vcs-snapshot	eab6d8533446763c2e9777d8bbd1594e
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	vcs-snapshot	eab6d8533446763c2e9777d8bbd1594e
 _md5_=2589473b2ab9c38a4ce7a86c716aea06
diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.1 b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.1
index c3d59f859293..91cf1f7bac3c 100644
--- a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.1
+++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.4.1
@@ -1,4 +1,4 @@
-BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-7.1.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) >=dev-python/gpep517-9[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-65.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
+BDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( >=dev-python/numpy-1.16.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/gpep517-13[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
 DEFINED_PHASES=compile configure install prepare test
 DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories
 EAPI=8
@@ -7,10 +7,10 @@ INHERIT=distutils-r1
 IUSE=test python_targets_python3_9 python_targets_python3_10
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=GPL-2
-RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
+RDEPEND=>=dev-python/numpy-1.16.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/scipy-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=sci-biology/biopython-1.71[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/networkx-1.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/joblib-0.12[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/matplotlib-1.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/mmtf-python-1.0.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/tqdm-4.43.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/gsd-1.9.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/threadpoolctl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
 REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
 RESTRICT=test !test? ( test )
 SLOT=0
 SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-2.4.1.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=fc114be5f8debe64cae4c7187584b7a5
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index 37d1f06bb07e..e939710e0b27 100644
--- a/metadata/md5-cache/sci-chemistry/Manifest.gz
+++ b/metadata/md5-cache/sci-chemistry/Manifest.gz
diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3 b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3
index 7d6d6d29a95f..437e59da7931 100644
--- a/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3
+++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3
@@ -1,4 +1,4 @@
-BDEPEND=test? ( >=dev-python/pytest-7.1.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) >=dev-python/setuptools-65.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
+BDEPEND=test? ( >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
 DEFINED_PHASES=compile configure install prepare test
 DESCRIPTION=Parameter and topology file editor and molecular mechanical simulator engine
 EAPI=8
@@ -7,10 +7,10 @@ INHERIT=distutils-r1
 IUSE=test python_targets_python3_9 python_targets_python3_10
 KEYWORDS=~amd64
 LICENSE=LGPL-2
-RDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
+RDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
 REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/ParmEd/ParmEd/archive/refs/tags/3.4.3.tar.gz -> ParmEd-3.4.3.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=af636d78c2b62bfc590562bdbab4aab5
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.0.1-r1 b/metadata/md5-cache/sci-chemistry/chemex-2022.0.1-r1
index ee8cebce6786..29748d8b918d 100644
--- a/metadata/md5-cache/sci-chemistry/chemex-2022.0.1-r1
+++ b/metadata/md5-cache/sci-chemistry/chemex-2022.0.1-r1
@@ -1,4 +1,4 @@
-BDEPEND=test? ( python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_9(-)] >=dev-python/numpy-1.23.3[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_9(-)] >=dev-python/rich-12.5.1[python_targets_python3_9(-)] >=dev-python/scipy-1.9.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_10(-)] >=dev-python/numpy-1.23.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_10(-)] >=dev-python/rich-12.5.1[python_targets_python3_10(-)] >=dev-python/scipy-1.9.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-7.1.3[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.1.3[python_targets_python3_10(-)] ) ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_9? ( >=dev-python/gpep517-9[python_targets_python3_9(-)] >=dev-python/poetry-core-1.3.2[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/gpep517-9[python_targets_python3_10(-)] >=dev-python/poetry-core-1.3.2[python_targets_python3_10(-)] )
+BDEPEND=test? ( python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_9(-)] >=dev-python/numpy-1.23.3[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_9(-)] >=dev-python/rich-12.5.1[python_targets_python3_9(-)] >=dev-python/scipy-1.9.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_10(-)] >=dev-python/numpy-1.23.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_10(-)] >=dev-python/rich-12.5.1[python_targets_python3_10(-)] >=dev-python/scipy-1.9.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-7.2.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)] ) ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_9? ( >=dev-python/gpep517-13[python_targets_python3_9(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_10(-)] )
 DEFINED_PHASES=compile configure install prepare setup test
 DEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_9(-)] >=dev-python/numpy-1.23.3[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_9(-)] >=dev-python/rich-12.5.1[python_targets_python3_9(-)] >=dev-python/scipy-1.9.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_10(-)] >=dev-python/numpy-1.23.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_10(-)] >=dev-python/rich-12.5.1[python_targets_python3_10(-)] >=dev-python/scipy-1.9.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] )
 DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
@@ -8,10 +8,10 @@ INHERIT=distutils-r1
 IUSE=test test python_single_target_python3_9 python_single_target_python3_10
 KEYWORDS=~amd64
 LICENSE=BSD
-RDEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_9(-)] >=dev-python/numpy-1.23.3[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_9(-)] >=dev-python/rich-12.5.1[python_targets_python3_9(-)] >=dev-python/scipy-1.9.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_10(-)] >=dev-python/numpy-1.23.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_10(-)] >=dev-python/rich-12.5.1[python_targets_python3_10(-)] >=dev-python/scipy-1.9.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
+RDEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_9(-)] >=dev-python/numpy-1.23.3[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_9(-)] >=dev-python/rich-12.5.1[python_targets_python3_9(-)] >=dev-python/scipy-1.9.1[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.5.3[python_targets_python3_10(-)] >=dev-python/numpy-1.23.3[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.8.0[python_targets_python3_10(-)] >=dev-python/rich-12.5.1[python_targets_python3_10(-)] >=dev-python/scipy-1.9.1[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
 REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=test !test? ( test )
 SLOT=0
 SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2022.0.1.tar.gz -> chemex-2022.0.1.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=36af9a222bdf212c884b7064d6025a64
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.1.0 b/metadata/md5-cache/sci-chemistry/chemex-2022.1.0
index 811ffdba4e36..a7b30b2d3a86 100644
--- a/metadata/md5-cache/sci-chemistry/chemex-2022.1.0
+++ b/metadata/md5-cache/sci-chemistry/chemex-2022.1.0
@@ -1,4 +1,4 @@
-BDEPEND=test? ( python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_9(-)] >=dev-python/numpy-1.23.4[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_9(-)] >=dev-python/rich-12.6.0[python_targets_python3_9(-)] >=dev-python/scipy-1.9.3[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_10(-)] >=dev-python/numpy-1.23.4[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_10(-)] >=dev-python/rich-12.6.0[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-7.1.3[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.1.3[python_targets_python3_10(-)] ) ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_9? ( >=dev-python/gpep517-9[python_targets_python3_9(-)] >=dev-python/poetry-core-1.3.2[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/gpep517-9[python_targets_python3_10(-)] >=dev-python/poetry-core-1.3.2[python_targets_python3_10(-)] )
+BDEPEND=test? ( python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_9(-)] >=dev-python/numpy-1.23.4[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_9(-)] >=dev-python/rich-12.6.0[python_targets_python3_9(-)] >=dev-python/scipy-1.9.3[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_10(-)] >=dev-python/numpy-1.23.4[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_10(-)] >=dev-python/rich-12.6.0[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-7.2.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)] ) ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_9? ( >=dev-python/gpep517-13[python_targets_python3_9(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_10(-)] )
 DEFINED_PHASES=compile configure install prepare setup test
 DEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_9(-)] >=dev-python/numpy-1.23.4[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_9(-)] >=dev-python/rich-12.6.0[python_targets_python3_9(-)] >=dev-python/scipy-1.9.3[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_10(-)] >=dev-python/numpy-1.23.4[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_10(-)] >=dev-python/rich-12.6.0[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] )
 DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
@@ -8,10 +8,10 @@ INHERIT=distutils-r1
 IUSE=test test python_single_target_python3_9 python_single_target_python3_10
 KEYWORDS=~amd64
 LICENSE=BSD
-RDEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_9(-)] >=dev-python/numpy-1.23.4[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_9(-)] >=dev-python/rich-12.6.0[python_targets_python3_9(-)] >=dev-python/scipy-1.9.3[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_10(-)] >=dev-python/numpy-1.23.4[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_10(-)] >=dev-python/rich-12.6.0[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
+RDEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_9(-)] >=dev-python/numpy-1.23.4[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_9(-)] >=dev-python/rich-12.6.0[python_targets_python3_9(-)] >=dev-python/scipy-1.9.3[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.0.3[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.1[python_targets_python3_10(-)] >=dev-python/numpy-1.23.4[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.2[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.11.0[python_targets_python3_10(-)] >=dev-python/rich-12.6.0[python_targets_python3_10(-)] >=dev-python/scipy-1.9.3[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
 REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=test !test? ( test )
 SLOT=0
 SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2022.1.0.tar.gz -> chemex-2022.1.0.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=baa6d065a5d7949a7225fde3814f578a
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2022.2.0 b/metadata/md5-cache/sci-chemistry/chemex-2022.2.0
index 341282f12cbb..7dca1d9fd4a0 100644
--- a/metadata/md5-cache/sci-chemistry/chemex-2022.2.0
+++ b/metadata/md5-cache/sci-chemistry/chemex-2022.2.0
@@ -1,4 +1,4 @@
-BDEPEND=test? ( python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_9(-)] >=dev-python/numpy-1.24.0[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_9(-)] >=dev-python/rich-13.0.0[python_targets_python3_9(-)] >=dev-python/scipy-1.10.0[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_10(-)] >=dev-python/numpy-1.24.0[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_10(-)] >=dev-python/rich-13.0.0[python_targets_python3_10(-)] >=dev-python/scipy-1.10.0[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_11(-)] >=dev-python/numpy-1.24.0[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_11(-)] >=dev-python/rich-13.0.0[python_targets_python3_11(-)] >=dev-python/scipy-1.10.0[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-7.1.3[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.1.3[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.1.3[python_targets_python3_11(-)] ) ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) python_single_target_python3_9? ( >=dev-python/gpep517-9[python_targets_python3_9(-)] >=dev-python/poetry-core-1.3.2[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/gpep517-9[python_targets_python3_10(-)] >=dev-python/poetry-core-1.3.2[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-9[python_targets_python3_11(-)] >=dev-python/poetry-core-1.3.2[python_targets_python3_11(-)] )
+BDEPEND=test? ( python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_9(-)] >=dev-python/numpy-1.24.0[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_9(-)] >=dev-python/rich-13.0.0[python_targets_python3_9(-)] >=dev-python/scipy-1.10.0[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_10(-)] >=dev-python/numpy-1.24.0[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_10(-)] >=dev-python/rich-13.0.0[python_targets_python3_10(-)] >=dev-python/scipy-1.10.0[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_11(-)] >=dev-python/numpy-1.24.0[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_11(-)] >=dev-python/rich-13.0.0[python_targets_python3_11(-)] >=dev-python/scipy-1.10.0[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_9? ( >=dev-python/pytest-7.2.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/pytest-7.2.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/pytest-7.2.1[python_targets_python3_11(-)] ) ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) python_single_target_python3_9? ( >=dev-python/gpep517-13[python_targets_python3_9(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/gpep517-13[python_targets_python3_10(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/gpep517-13[python_targets_python3_11(-)] >=dev-python/poetry-core-1.4.0[python_targets_python3_11(-)] )
 DEFINED_PHASES=compile configure install prepare setup test
 DEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_9(-)] >=dev-python/numpy-1.24.0[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_9(-)] >=dev-python/rich-13.0.0[python_targets_python3_9(-)] >=dev-python/scipy-1.10.0[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_10(-)] >=dev-python/numpy-1.24.0[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_10(-)] >=dev-python/rich-13.0.0[python_targets_python3_10(-)] >=dev-python/scipy-1.10.0[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_11(-)] >=dev-python/numpy-1.24.0[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_11(-)] >=dev-python/rich-13.0.0[python_targets_python3_11(-)] >=dev-python/scipy-1.10.0[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] )
 DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
@@ -8,10 +8,10 @@ INHERIT=distutils-r1
 IUSE=test test python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11
 KEYWORDS=~amd64
 LICENSE=BSD
-RDEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_9(-)] >=dev-python/numpy-1.24.0[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_9(-)] >=dev-python/rich-13.0.0[python_targets_python3_9(-)] >=dev-python/scipy-1.10.0[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_10(-)] >=dev-python/numpy-1.24.0[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_10(-)] >=dev-python/rich-13.0.0[python_targets_python3_10(-)] >=dev-python/scipy-1.10.0[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_11(-)] >=dev-python/numpy-1.24.0[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_11(-)] >=dev-python/rich-13.0.0[python_targets_python3_11(-)] >=dev-python/scipy-1.10.0[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 )
+RDEPEND=python_single_target_python3_9? ( >=dev-python/asteval-0.9.25[python_targets_python3_9(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_9(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_9(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_9(-)] >=dev-python/numpy-1.24.0[python_targets_python3_9(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_9(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_9(-)] >=dev-python/rich-13.0.0[python_targets_python3_9(-)] >=dev-python/scipy-1.10.0[python_targets_python3_9(-)] >=dev-python/tomli-2.0.1[python_targets_python3_9(-)] ) python_single_target_python3_10? ( >=dev-python/asteval-0.9.25[python_targets_python3_10(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_10(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_10(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_10(-)] >=dev-python/numpy-1.24.0[python_targets_python3_10(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_10(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_10(-)] >=dev-python/rich-13.0.0[python_targets_python3_10(-)] >=dev-python/scipy-1.10.0[python_targets_python3_10(-)] >=dev-python/tomli-2.0.1[python_targets_python3_10(-)] ) python_single_target_python3_11? ( >=dev-python/asteval-0.9.25[python_targets_python3_11(-)] >=dev-python/cachetools-5.2.0[python_targets_python3_11(-)] >=dev-python/lmfit-1.1.0[python_targets_python3_11(-)] >=dev-python/matplotlib-3.6.2[python_targets_python3_11(-)] >=dev-python/numpy-1.24.0[python_targets_python3_11(-)] >=dev-python/pydantic-1.10.4[python_targets_python3_11(-)] >=dev-python/rapidfuzz-2.13.7[python_targets_python3_11(-)] >=dev-python/rich-13.0.0[python_targets_python3_11(-)] >=dev-python/scipy-1.10.0[python_targets_python3_11(-)] >=dev-python/tomli-2.0.1[python_targets_python3_11(-)] ) python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
 REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 python_single_target_python3_11 )
 RESTRICT=test !test? ( test )
 SLOT=0
 SRC_URI=https://github.com/gbouvignies/ChemEx/archive/refs/tags/v2022.2.0.tar.gz -> chemex-2022.2.0.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=e9807f45005b71a10ecd9d52313414ad
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.7 b/metadata/md5-cache/sci-chemistry/gromacs-2020.7
index e1d4b6795911..edb32e04dfeb 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.7
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.7
@@ -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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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 ) 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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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_9 python_single_target_python3_10 python_single_target_python3_11
 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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 )
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
 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_9 python_single_target_python3_10 python_single_target_python3_11 )
 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 )
-_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	dcd5f48510105eb95e550ab968147365	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
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diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.6 b/metadata/md5-cache/sci-chemistry/gromacs-2021.6
index c81c303089fb..5aa428d51cb8 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.6
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.6
@@ -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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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 ) 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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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_9 python_single_target_python3_10 python_single_target_python3_11
 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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 )
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
 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_9 python_single_target_python3_10 python_single_target_python3_11 )
 RESTRICT=!test? ( test )
 SLOT=0/2021.6
 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2021.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.6.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2021.6.tar.gz )
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diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.7 b/metadata/md5-cache/sci-chemistry/gromacs-2021.7
index 2c5ee0b53667..0607c8614270 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.7
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.7
@@ -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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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 ) 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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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_9 python_single_target_python3_10 python_single_target_python3_11
 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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 )
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
 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_9 python_single_target_python3_10 python_single_target_python3_11 )
 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_=1e179acaed2d2e5cd495026f57860352
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.4 b/metadata/md5-cache/sci-chemistry/gromacs-2022.4
index 34f9f608477c..f3e79688b68c 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2022.4
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.4
@@ -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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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_9 python_single_target_python3_10 python_single_target_python3_11
 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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) <sci-chemistry/dssp-4
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <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_9 python_single_target_python3_10 python_single_target_python3_11 )
 RESTRICT=!test? ( test )
 SLOT=0/2022.4
 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2022.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.4.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2022.4.tar.gz )
-_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	dcd5f48510105eb95e550ab968147365	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	5805686d488d821ed8d8d9367942c0f3	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=cdd826a94c74837171c33e5212e21e04
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999
index 5cb5ad13d1a6..a98927651050 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999
@@ -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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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 ) 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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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_9 python_single_target_python3_10 python_single_target_python3_11
 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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) <sci-chemistry/dssp-4
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) <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_9 python_single_target_python3_10 python_single_target_python3_11 )
 RESTRICT=!test? ( test )
 SLOT=0/2022.9999
-_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	dcd5f48510105eb95e550ab968147365	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	5805686d488d821ed8d8d9367942c0f3	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=cdd826a94c74837171c33e5212e21e04
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2023.9999
index b9f2e3efb9e2..57164419fd49 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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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 ) 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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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_9 python_single_target_python3_10 python_single_target_python3_11
 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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 )
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
 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_9 python_single_target_python3_10 python_single_target_python3_11 )
 RESTRICT=!test? ( test )
 SLOT=0/2023.9999
-_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	dcd5f48510105eb95e550ab968147365	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	5805686d488d821ed8d8d9367942c0f3	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=97afc417b705ac736ddde182ea746ea2
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2023_rc1 b/metadata/md5-cache/sci-chemistry/gromacs-2023_rc1
index 3061fb80a801..09e66a26b5e5 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2023_rc1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2023_rc1
@@ -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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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_9 python_single_target_python3_10 python_single_target_python3_11
 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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 )
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
 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_9 python_single_target_python3_10 python_single_target_python3_11 )
 RESTRICT=!test? ( test )
 SLOT=0/2023_rc1
 SRC_URI=https://ftp.gromacs.org/gromacs/gromacs-2023-rc1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2023-rc1.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2023-rc1.tar.gz )
-_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	dcd5f48510105eb95e550ab968147365	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	5805686d488d821ed8d8d9367942c0f3	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=97afc417b705ac736ddde182ea746ea2
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999
index b791bcfc01a3..af8a881799ad 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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 ) 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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) python_single_target_python3_11? ( dev-python/sphinx[python_targets_python3_11(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) >=dev-util/ninja-1.8.2 >=dev-util/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_9 python_single_target_python3_10 python_single_target_python3_11
 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_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1:3.11 )
+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_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
 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_9 python_single_target_python3_10 python_single_target_python3_11 )
 RESTRICT=!test? ( test )
 SLOT=0/9999
-_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	dcd5f48510105eb95e550ab968147365	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	cuda	bbef1902e3953ff9f3a9947ebf4e56f9	distutils-r1	5805686d488d821ed8d8d9367942c0f3	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	readme.gentoo-r1	b776ad4b42f564c406a95c41ccb42c55	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=97afc417b705ac736ddde182ea746ea2
diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
index 29aaed17243d..57d93c238367 100644
--- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
+++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
@@ -1,4 +1,4 @@
-BDEPEND=test? ( dev-python/astor[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] >=dev-python/pytest-7.1.3[python_targets_python3_9(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) >=dev-python/setuptools-65.5.1[python_targets_python3_9(-)?]
+BDEPEND=test? ( dev-python/astor[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?]
 DEFINED_PHASES=compile configure install prepare test
 DEPEND=dev-python/astor[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] test? ( dev-python/jupyter_client[python_targets_python3_9(-)?] dev-python/nbformat[python_targets_python3_9(-)?] )
 DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code
@@ -8,10 +8,10 @@ INHERIT=distutils-r1
 IUSE=test python_targets_python3_9
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=LGPL-2.1+
-RDEPEND=dev-python/astor[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 )
+RDEPEND=dev-python/astor[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/pandas[python_targets_python3_9(-)?] dev-python/pytables[python_targets_python3_9(-)?] dev-python/networkx[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 )
 REQUIRED_USE=|| ( python_targets_python3_9 )
 RESTRICT=test
 SLOT=0
 SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.4.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=6edb785b3c36296d6e9f221b2c534511
diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7
index 188bf5e9eea4..97007022b33a 100644
--- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7
+++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7
@@ -1,4 +1,4 @@
-BDEPEND=test? ( dev-python/astunparse[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-7.1.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) >=dev-python/setuptools-65.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
+BDEPEND=test? ( dev-python/astunparse[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
 DEFINED_PHASES=compile configure install prepare test
 DEPEND=dev-python/astunparse[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] test? ( dev-python/ipykernel[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/jupyter_client[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/nbformat[python_targets_python3_9(-)?,python_targets_python3_10(-)?] sci-libs/scikit-learn[python_targets_python3_9(-)?,python_targets_python3_10(-)?] )
 DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code
@@ -8,10 +8,10 @@ INHERIT=distutils-r1
 IUSE=test python_targets_python3_9 python_targets_python3_10
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=LGPL-2.1+
-RDEPEND=dev-python/astunparse[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
+RDEPEND=dev-python/astunparse[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/astor[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pandas[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pytables[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pyparsing[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/networkx[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
 REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.7.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=9cef2814c766355342c65239ca1e9780
diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25
index 2c9838906160..6886aaf0c0db 100644
--- a/metadata/md5-cache/sci-chemistry/modeller-9.25
+++ b/metadata/md5-cache/sci-chemistry/modeller-9.25
@@ -1,4 +1,4 @@
-BDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
+BDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
 DEFINED_PHASES=compile config configure install postinst postrm prepare setup test
 DEPEND=>=dev-lang/swig-1.3
 DESCRIPTION=Homology or comparative modeling of protein three-dimensional structures
@@ -8,10 +8,10 @@ INHERIT=distutils-r1
 IUSE=doc examples python_targets_python3_9 python_targets_python3_10
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=modeller
-RDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
+RDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
 REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
 RESTRICT=mirror
 SLOT=0
 SRC_URI=https://salilab.org/modeller/9.25/modeller-9.25.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=1c68117b2425090a258fc04144469ec6
diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1 b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
index 6f2988abaa7b..d450a0f8766e 100644
--- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
+++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
@@ -1,6 +1,6 @@
 BDEPEND=doc? ( app-doc/doxygen ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 test? ( x11-base/xorg-server[xvfb] x11-apps/xhost )
 DEFINED_PHASES=compile configure install prepare test
-DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) net-libs/cppzmq:0= )
+DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) net-libs/cppzmq:0= )
 DESCRIPTION=Abstract, manage and coordinate execution of tasks
 EAPI=7
 HOMEPAGE=https://www.openchemistry.org/projects/molequeue/
@@ -8,10 +8,10 @@ INHERIT=cmake python-r1 virtualx
 IUSE=+client doc server test +zeromq python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 test
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=BSD
-RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) net-libs/cppzmq:0= )
+RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) net-libs/cppzmq:0= )
 REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 ) )
 RESTRICT=test
 SLOT=0
 SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.9.0.tar.gz -> molequeue-0.9.0.tar.gz
-_eclasses_=cmake	449b4785acace35308fe747fc939bde1	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	8f942ebdcf04334697649d4a0bf65a32	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	virtualx	644887c82aefdf12001489391fca4f02	wrapper	4a1902f969e5718126434fc35f3a0d9c	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=cmake	449b4785acace35308fe747fc939bde1	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	8f942ebdcf04334697649d4a0bf65a32	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	virtualx	644887c82aefdf12001489391fca4f02	wrapper	4a1902f969e5718126434fc35f3a0d9c	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=2acaaa36499f3c8d72f2f8be2a487a89
diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 b/metadata/md5-cache/sci-chemistry/nmrglue-0.7
index 97434414aacd..823950ab517a 100644
--- a/metadata/md5-cache/sci-chemistry/nmrglue-0.7
+++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.7
@@ -1,4 +1,4 @@
-BDEPEND=test? ( dev-python/matplotlib[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_9(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) >=dev-python/setuptools-65.5.1[python_targets_python3_9(-)?]
+BDEPEND=test? ( dev-python/matplotlib[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_9(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?]
 DEFINED_PHASES=compile configure install prepare test
 DEPEND=dev-python/matplotlib[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?]
 DESCRIPTION=A module for working with NMR data in Python
@@ -8,10 +8,10 @@ INHERIT=distutils-r1
 IUSE=test python_targets_python3_9
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=BSD
-RDEPEND=dev-python/matplotlib[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 )
+RDEPEND=dev-python/matplotlib[python_targets_python3_9(-)?] dev-python/numpy[python_targets_python3_9(-)?] dev-python/scipy[python_targets_python3_9(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 )
 REQUIRED_USE=|| ( python_targets_python3_9 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/jjhelmus/nmrglue/releases/download/v0.7/nmrglue-0.7.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=7e104c782f766f15ac0512239c115a05
diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.9 b/metadata/md5-cache/sci-chemistry/nmrglue-0.9
index c17da8347e81..e821452e46b5 100644
--- a/metadata/md5-cache/sci-chemistry/nmrglue-0.9
+++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.9
@@ -1,4 +1,4 @@
-BDEPEND=test? ( app-shells/tcsh ) test? ( dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) doc? ( || ( ( >=dev-lang/python-3.10.9:3.10 >=dev-python/sphinx-5.3.0[python_targets_python3_10(-)] dev-python/sphinx_rtd_theme[python_targets_python3_10(-)] dev-python/numpydoc[python_targets_python3_10(-)] ) ( >=dev-lang/python-3.9.16:3.9 >=dev-python/sphinx-5.3.0[python_targets_python3_9(-)] dev-python/sphinx_rtd_theme[python_targets_python3_9(-)] dev-python/numpydoc[python_targets_python3_9(-)] ) ) ) python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) >=dev-python/gpep517-9[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-65.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
+BDEPEND=test? ( app-shells/tcsh ) test? ( dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/nose-1.3.7_p20221026[python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) doc? ( || ( ( >=dev-lang/python-3.10.9-r1:3.10 >=dev-python/sphinx-5.3.0[python_targets_python3_10(-)] dev-python/sphinx_rtd_theme[python_targets_python3_10(-)] dev-python/numpydoc[python_targets_python3_10(-)] ) ( >=dev-lang/python-3.9.16-r1:3.9 >=dev-python/sphinx-5.3.0[python_targets_python3_9(-)] dev-python/sphinx_rtd_theme[python_targets_python3_9(-)] dev-python/numpydoc[python_targets_python3_9(-)] ) ) ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) >=dev-python/gpep517-13[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
 DEFINED_PHASES=compile configure install prepare test
 DEPEND=dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?]
 DESCRIPTION=A module for working with NMR data in Python
@@ -8,10 +8,10 @@ INHERIT=distutils-r1
 IUSE=test doc python_targets_python3_9 python_targets_python3_10
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=BSD
-RDEPEND=dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
+RDEPEND=dev-python/matplotlib[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/scipy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
 REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
 RESTRICT=test !test? ( test )
 SLOT=0
 SRC_URI=https://github.com/jjhelmus/nmrglue/archive/v0.9.tar.gz -> nmrglue-0.9.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=19491179fb92c1b08e81bf79e54cf748
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225 b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
index 67977fbc43d5..cc6819f4480d 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
+++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
@@ -1,6 +1,6 @@
 BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test
-DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
+DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
 DESCRIPTION=Interconverts file formats used in molecular modeling
 EAPI=8
 HOMEPAGE=https://openbabel.org/
@@ -8,10 +8,10 @@ INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwi
 IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_9 python_targets_python3_10
 KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos
 LICENSE=GPL-2
-RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
+RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
 REQUIRED_USE=python? ( || ( python_targets_python3_9 python_targets_python3_10 ) ) test? ( inchi json !minimal wxwidgets )
 RESTRICT=!test? ( test )
 SLOT=0/7.0.0
 SRC_URI=https://github.com/openbabel/openbabel/archive/08e23f39b0cc39b4eebd937a5a2ffc1a7bac3e1b.tar.gz -> openbabel-3.1.1_p20210225.tar.gz https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png http://openbabel.org/OBTitle.jpg -> openbabel.jpg
-_eclasses_=cmake	449b4785acace35308fe747fc939bde1	desktop	7eb20ad915a0a318176d51bc2508ff5c	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	perl-functions	c3fca037246e877693badea0df3b0ef8	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wxwidgets	9a707a3f9f1ea7aa703b1e46552291e5	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=cmake	449b4785acace35308fe747fc939bde1	desktop	7eb20ad915a0a318176d51bc2508ff5c	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	perl-functions	c3fca037246e877693badea0df3b0ef8	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wxwidgets	9a707a3f9f1ea7aa703b1e46552291e5	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=48dcd88dbac28436f16fde742da91c72
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-9999 b/metadata/md5-cache/sci-chemistry/openbabel-9999
index 629c06de9b00..23c19b56bb5f 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-9999
+++ b/metadata/md5-cache/sci-chemistry/openbabel-9999
@@ -1,6 +1,6 @@
 BDEPEND=dev-lang/perl doc? ( app-doc/doxygen dev-texlive/texlive-latex ) perl? ( >=dev-lang/swig-2 ) python? ( >=dev-lang/swig-2 ) test? ( dev-lang/python ) >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
 DEFINED_PHASES=compile configure install postinst postrm prepare pretend setup test unpack
-DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
+DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl )
 DESCRIPTION=Interconverts file formats used in molecular modeling
 EAPI=8
 HOMEPAGE=https://openbabel.org/
@@ -8,10 +8,10 @@ INHERIT=cmake desktop flag-o-matic perl-functions python-r1 toolchain-funcs wxwi
 IUSE=cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_9 python_targets_python3_10
 LICENSE=GPL-2
 PROPERTIES=live
-RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
+RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sys-libs/zlib:= inchi? ( sci-libs/inchi ) json? ( >=dev-libs/rapidjson-1.1.0 ) png? ( x11-libs/cairo ) python? ( python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) ) wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] ) perl? ( dev-lang/perl:= !sci-chemistry/openbabel-perl )
 REQUIRED_USE=python? ( || ( python_targets_python3_9 python_targets_python3_10 ) ) test? ( inchi json !minimal wxwidgets )
 RESTRICT=!test? ( test )
 SLOT=0/7.0.0
 SRC_URI=https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png http://openbabel.org/OBTitle.jpg -> openbabel.jpg
-_eclasses_=cmake	449b4785acace35308fe747fc939bde1	desktop	7eb20ad915a0a318176d51bc2508ff5c	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	perl-functions	c3fca037246e877693badea0df3b0ef8	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wxwidgets	9a707a3f9f1ea7aa703b1e46552291e5	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=cmake	449b4785acace35308fe747fc939bde1	desktop	7eb20ad915a0a318176d51bc2508ff5c	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	perl-functions	c3fca037246e877693badea0df3b0ef8	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wxwidgets	9a707a3f9f1ea7aa703b1e46552291e5	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=79aef411b4bf0c44df36916afb955d75
diff --git a/metadata/md5-cache/sci-chemistry/propka-3.4.0 b/metadata/md5-cache/sci-chemistry/propka-3.4.0
index 318f684f7779..d44369e3587d 100644
--- a/metadata/md5-cache/sci-chemistry/propka-3.4.0
+++ b/metadata/md5-cache/sci-chemistry/propka-3.4.0
@@ -1,4 +1,4 @@
-BDEPEND=test? ( dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.1.3[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1:3.11 ) >=dev-python/gpep517-9[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-65.5.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?]
+BDEPEND=test? ( dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/pytest-7.2.1[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] ) python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 ) >=dev-python/gpep517-13[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/setuptools-65.7.0[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] >=dev-python/wheel-0.38.4[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?]
 DEFINED_PHASES=compile configure install prepare test
 DESCRIPTION=pKa-value prediction of ionizable groups in protein and protein-ligand complexes
 EAPI=8
@@ -7,10 +7,10 @@ INHERIT=distutils-r1
 IUSE=test python_targets_python3_9 python_targets_python3_10 python_targets_python3_11
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=LGPL-2.1
-RDEPEND=dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1:3.11 )
+RDEPEND=dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?,python_targets_python3_11(-)?] python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_targets_python3_11? ( >=dev-lang/python-3.11.1-r1:3.11 )
 REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 python_targets_python3_11 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/jensengroup/propka/archive/refs/tags/v3.4.0.tar.gz -> propka-3.4.0.gh.tar.gz
-_eclasses_=distutils-r1	dcd5f48510105eb95e550ab968147365	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
+_eclasses_=distutils-r1	5805686d488d821ed8d8d9367942c0f3	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027
 _md5_=df9c2734ddc4d3199b2a42247a6a9496
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0
deleted file mode 100644
index 9c47b617fbf8..000000000000
--- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0
+++ /dev/null
@@ -1,17 +0,0 @@
-BDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
-DEFINED_PHASES=compile configure install postinst postrm preinst prepare test
-DEPEND=dev-libs/msgpack[cxx(-)] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_9(-)?,python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) dev-util/desktop-file-utils x11-misc/shared-mime-info
-DESCRIPTION=A Python-extensible molecular graphics system
-EAPI=7
-HOMEPAGE=https://www.pymol.org/
-INHERIT=desktop flag-o-matic xdg distutils-r1
-IUSE=+netcdf web python_targets_python3_9 python_targets_python3_10
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
-LICENSE=PSF-2.2
-RDEPEND=dev-libs/msgpack[cxx(-)] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_9(-)?,python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
-RESTRICT=mirror
-SLOT=0
-SRC_URI=https://dev.gentoo.org/~pacho/pymol/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.5.0.tar.gz -> pymol-2.5.0.tar.gz
-_eclasses_=desktop	7eb20ad915a0a318176d51bc2508ff5c	distutils-r1	dcd5f48510105eb95e550ab968147365	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	8f942ebdcf04334697649d4a0bf65a32	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wrapper	4a1902f969e5718126434fc35f3a0d9c	xdg	6024fbc93167fad782e2032933654857	xdg-utils	ac0e315a3688929e34ac75b139e7349a
-_md5_=b3c48862970ed90e009b0d6f89bec676
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r1 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r1
deleted file mode 100644
index 1512f848a6c5..000000000000
--- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r1
+++ /dev/null
@@ -1,17 +0,0 @@
-BDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
-DEFINED_PHASES=compile configure install postinst postrm preinst prepare test
-DEPEND=dev-libs/msgpack[cxx(-)] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_9(-)?,python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= )
-DESCRIPTION=A Python-extensible molecular graphics system
-EAPI=8
-HOMEPAGE=https://www.pymol.org/
-IDEPEND=dev-util/desktop-file-utils x11-misc/shared-mime-info
-INHERIT=desktop flag-o-matic xdg distutils-r1
-IUSE=+netcdf web python_targets_python3_9 python_targets_python3_10
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
-LICENSE=BitstreamVera BSD freedist HPND OFL public-domain UoI-NCSA
-RDEPEND=dev-libs/msgpack[cxx(-)] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_9(-)?,python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9:3.10 )
-REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
-SLOT=0
-SRC_URI=https://dev.gentoo.org/~pacho/pymol/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.5.0.tar.gz -> pymol-2.5.0.tar.gz
-_eclasses_=desktop	7eb20ad915a0a318176d51bc2508ff5c	distutils-r1	dcd5f48510105eb95e550ab968147365	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg	6024fbc93167fad782e2032933654857	xdg-utils	ac0e315a3688929e34ac75b139e7349a
-_md5_=d2062ddffb3a11902466929da129aa95
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2
new file mode 100644
index 000000000000..cfd95145b1c0
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0-r2
@@ -0,0 +1,17 @@
+BDEPEND=python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+DEFINED_PHASES=compile configure install postinst postrm preinst prepare test
+DEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_9(-)?,python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= )
+DESCRIPTION=A Python-extensible molecular graphics system
+EAPI=8
+HOMEPAGE=https://www.pymol.org/
+IDEPEND=dev-util/desktop-file-utils x11-misc/shared-mime-info
+INHERIT=desktop flag-o-matic xdg distutils-r1
+IUSE=+netcdf web python_targets_python3_9 python_targets_python3_10
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
+LICENSE=BitstreamVera BSD freedist HPND OFL public-domain UoI-NCSA
+RDEPEND=|| ( dev-cpp/msgpack-cxx dev-libs/msgpack[cxx(-)] ) dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/PyQt5[opengl,python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/numpy[python_targets_python3_9(-)?,python_targets_python3_10(-)?] dev-python/pmw[python_targets_python3_9(-)?,python_targets_python3_10(-)?] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 )
+REQUIRED_USE=|| ( python_targets_python3_9 python_targets_python3_10 )
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~pacho/pymol/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.5.0.tar.gz -> pymol-2.5.0.tar.gz
+_eclasses_=desktop	7eb20ad915a0a318176d51bc2508ff5c	distutils-r1	5805686d488d821ed8d8d9367942c0f3	flag-o-matic	69394e25812406faa1f90edaf4969395	multibuild	bddcb51b74f4a76724ff7cf8e7388869	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	out-of-source-utils	1a9007554652a6e627edbccb3c25a439	python-r1	666be58f658d6b32affe30f80e39a49e	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg	6024fbc93167fad782e2032933654857	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_md5_=f39e6f47ef598acf182b315199f4b61e
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57
index 01f02bb571e9..85bbefb07e40 100644
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha57
@@ -1,6 +1,6 @@
 BDEPEND=virtual/pkgconfig dev-lang/swig
 DEFINED_PHASES=compile configure install nofetch postinst postrm preinst prepare setup
-DEPEND=python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama )
+DEPEND=python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama )
 DESCRIPTION=Visual Molecular Dynamics
 EAPI=8
 HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/
@@ -9,10 +9,10 @@ INHERIT=cuda desktop flag-o-matic prefix python-single-r1 toolchain-funcs xdg
 IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_9 python_single_target_python3_10
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=vmd
-RDEPEND=python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-misc/xdg-utils x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
+RDEPEND=python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/numpy[python_targets_python3_10(-)] ) >=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-misc/xdg-utils x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
 REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=fetch
 SLOT=0
 SRC_URI=vmd-1.9.4a57.src.tar.gz fetch+https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha57-gentoo-patches.tar.xz
-_eclasses_=cuda	bbef1902e3953ff9f3a9947ebf4e56f9	desktop	7eb20ad915a0a318176d51bc2508ff5c	flag-o-matic	69394e25812406faa1f90edaf4969395	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	prefix	eab3c99d77fe00506c109c8a736186f7	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg	6024fbc93167fad782e2032933654857	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=cuda	bbef1902e3953ff9f3a9947ebf4e56f9	desktop	7eb20ad915a0a318176d51bc2508ff5c	flag-o-matic	69394e25812406faa1f90edaf4969395	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	prefix	eab3c99d77fe00506c109c8a736186f7	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	xdg	6024fbc93167fad782e2032933654857	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=73710647c2d656d0979711d61e4e809f
diff --git a/metadata/md5-cache/sci-chemistry/votca-2022 b/metadata/md5-cache/sci-chemistry/votca-2022
index c3478dd6280c..f22fd5eddca2 100644
--- a/metadata/md5-cache/sci-chemistry/votca-2022
+++ b/metadata/md5-cache/sci-chemistry/votca-2022
@@ -1,6 +1,6 @@
 BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst prepare setup test
-DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
 DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications
 EAPI=7
 HOMEPAGE=https://www.votca.org/
@@ -8,10 +8,10 @@ INHERIT=bash-completion-r1 cmake python-single-r1
 IUSE=+gromacs test python_single_target_python3_9 python_single_target_python3_10
 KEYWORDS=amd64 x86 ~amd64-linux
 LICENSE=Apache-2.0
-RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
 REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/votca/votca/archive/v2022.tar.gz -> votca-2022.tar.gz
-_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	8f942ebdcf04334697649d4a0bf65a32	flag-o-matic	69394e25812406faa1f90edaf4969395	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wrapper	4a1902f969e5718126434fc35f3a0d9c	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	8f942ebdcf04334697649d4a0bf65a32	flag-o-matic	69394e25812406faa1f90edaf4969395	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wrapper	4a1902f969e5718126434fc35f3a0d9c	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=c60ca57b3113e53bc498c75613cb485c
diff --git a/metadata/md5-cache/sci-chemistry/votca-2022.1 b/metadata/md5-cache/sci-chemistry/votca-2022.1
index c3e6330ba71c..5e161e2104e6 100644
--- a/metadata/md5-cache/sci-chemistry/votca-2022.1
+++ b/metadata/md5-cache/sci-chemistry/votca-2022.1
@@ -1,6 +1,6 @@
 BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst prepare setup test
-DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
 DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications
 EAPI=7
 HOMEPAGE=https://www.votca.org/
@@ -8,10 +8,10 @@ INHERIT=bash-completion-r1 cmake python-single-r1
 IUSE=+gromacs test python_single_target_python3_9 python_single_target_python3_10
 KEYWORDS=~amd64 ~x86 ~amd64-linux
 LICENSE=Apache-2.0
-RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
 REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/votca/votca/archive/v2022.1.tar.gz -> votca-2022.1.tar.gz
-_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	8f942ebdcf04334697649d4a0bf65a32	flag-o-matic	69394e25812406faa1f90edaf4969395	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wrapper	4a1902f969e5718126434fc35f3a0d9c	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	8f942ebdcf04334697649d4a0bf65a32	flag-o-matic	69394e25812406faa1f90edaf4969395	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wrapper	4a1902f969e5718126434fc35f3a0d9c	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=4652fac7d0d919a31b5394224c0f9960
diff --git a/metadata/md5-cache/sci-chemistry/votca-9999 b/metadata/md5-cache/sci-chemistry/votca-9999
index 438ca2c78c20..b35a3717a145 100644
--- a/metadata/md5-cache/sci-chemistry/votca-9999
+++ b/metadata/md5-cache/sci-chemistry/votca-9999
@@ -1,6 +1,6 @@
 BDEPEND=virtual/pkgconfig >=dev-util/ninja-1.8.2 >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
 DEFINED_PHASES=compile configure install postinst prepare setup test unpack
-DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
 DESCRIPTION=Versatile Object-oriented Toolkit for Coarse-graining Applications
 EAPI=7
 HOMEPAGE=https://www.votca.org/
@@ -8,9 +8,9 @@ INHERIT=bash-completion-r1 cmake python-single-r1 git-r3
 IUSE=+gromacs test python_single_target_python3_9 python_single_target_python3_10
 LICENSE=Apache-2.0
 PROPERTIES=live
-RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp python_single_target_python3_9? ( >=dev-lang/python-3.9.16-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.9-r1:3.10 ) app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
 REQUIRED_USE=^^ ( python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0
-_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	8f942ebdcf04334697649d4a0bf65a32	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	8d5c1c4ecef47fa1b4576a718c620d1d	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wrapper	4a1902f969e5718126434fc35f3a0d9c	xdg-utils	ac0e315a3688929e34ac75b139e7349a
+_eclasses_=bash-completion-r1	f5e7a020fd9c741740756aac61bf75ff	cmake	449b4785acace35308fe747fc939bde1	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	8f942ebdcf04334697649d4a0bf65a32	flag-o-matic	69394e25812406faa1f90edaf4969395	git-r3	2347f8fe2d392b2a091191f94be37e6f	multilib	5ca4e49abed8e3a2f7b56920eadee157	multiprocessing	b4e253ab22cef7b1085e9b67c7a3b730	ninja-utils	38c85b725d0467e51954ea921b6c104b	python-single-r1	75118e916668a74c660a13b0ecb22562	python-utils-r1	429bfd4e8d8e39db5385ba5744f30788	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	9a610728b9bcca1919234cceb35a1027	wrapper	4a1902f969e5718126434fc35f3a0d9c	xdg-utils	ac0e315a3688929e34ac75b139e7349a
 _md5_=4652fac7d0d919a31b5394224c0f9960