gentoo resync : 20.03.2022

author: V3n3RiX <venerix@koprulu.sector> 2022-03-20 00:40:44 +0000
committer: V3n3RiX <venerix@koprulu.sector> 2022-03-20 00:40:44 +0000
commit: 4cbcc855382a06088e2f016f62cafdbcb7e40665 (patch)
tree: 356496503d52354aa6d9f2d36126302fed5f3a73 /metadata/md5-cache/sci-chemistry
parent: fcc5224904648a8e6eb528d7603154160a20022f (diff)
71 files changed, 219 insertions, 357 deletions
diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1
index 22bc8b5e271e..e45e442fe545 100644
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0-r1
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/Becksteinlab/GromacsWrapper/archive/release-0.8.0.tar.gz -> GromacsWrapper-0.8.0.tar.gz
-_eclasses_=distutils-r1	242601d395f54f27cfbc76e53f5e0203	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-snapshot	19dc666868420457132a7514d4621476
+_eclasses_=distutils-r1	d540d96908dd5622f3dfa41d167e632d	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-snapshot	19dc666868420457132a7514d4621476
 _md5_=488ae7cbcc578e8701d473e8f3cc3bfe
diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0
index 4c585fd2c02e..643746041284 100644
--- a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0
+++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-1.0.0.tar.gz
-_eclasses_=distutils-r1	242601d395f54f27cfbc76e53f5e0203	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=distutils-r1	d540d96908dd5622f3dfa41d167e632d	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=e07b9d991b0ebdc5253eec932ecf80ed
diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0
index 97a8e3d65203..a00609fd7b32 100644
--- a/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0
+++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-2.0.0
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe
 RESTRICT=test !test? ( test )
 SLOT=0
 SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-2.0.0.tar.gz
-_eclasses_=distutils-r1	242601d395f54f27cfbc76e53f5e0203	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=distutils-r1	d540d96908dd5622f3dfa41d167e632d	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=ee1c9d9dd59c78af672cdcd2522e7f83
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index 847fa5fc3bfb..b5871d690a97 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
new file mode 100644
index 000000000000..591ecfe1fca5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.4.3
@@ -0,0 +1,15 @@
+BDEPEND=test? ( >=dev-python/pytest-6.2.5-r2[python_targets_python3_8(-)?,python_targets_python3_9(-)?,python_targets_python3_10(-)?] ) python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)?,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
+HOMEPAGE=https://parmed.github.io/ParmEd/html/index.html
+IUSE=test python_targets_python3_8 python_targets_python3_9 python_targets_python3_10
+KEYWORDS=~amd64
+LICENSE=LGPL-2
+RDEPEND=python_targets_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+REQUIRED_USE=|| ( python_targets_python3_8 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	d540d96908dd5622f3dfa41d167e632d	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_md5_=77692821f30ef48205d108cdfb1a6b77
diff --git a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3 b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3
index b5c34f5b6aa1..100b0c1eac31 100644
--- a/metadata/md5-cache/sci-chemistry/aqua-3.2-r3
+++ b/metadata/md5-cache/sci-chemistry/aqua-3.2-r3
@@ -10,5 +10,5 @@ RDEPEND=sci-chemistry/procheck virtual/fortran
 RESTRICT=fetch
 SLOT=0
 SRC_URI=aqua3.2.tar.gz doc? ( aqua-3.2-nmr_manual.tar.gz )
-_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974
+_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974
 _md5_=448c80984b2fce68c6d5bef34cf480bc
diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.93.0 b/metadata/md5-cache/sci-chemistry/avogadro2-1.93.0
deleted file mode 100644
index ac309d4ba588..000000000000
--- a/metadata/md5-cache/sci-chemistry/avogadro2-1.93.0
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=dev-util/ninja >=dev-util/cmake-3.9.6
-DEFINED_PHASES=compile configure install postinst postrm preinst prepare test
-DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtwidgets:5 >=sci-libs/avogadrolibs-1.93.0[qt5,vtk?] sci-libs/hdf5:= rpc? ( sci-chemistry/molequeue ) dev-cpp/eigen:3 test? ( dev-qt/qttest:5 ) dev-util/desktop-file-utils x11-misc/shared-mime-info
-DESCRIPTION=Advanced molecule editor and visualizer 2
-EAPI=7
-HOMEPAGE=https://www.openchemistry.org/
-IUSE=doc rpc test vtk
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
-LICENSE=BSD GPL-2+
-RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtwidgets:5 >=sci-libs/avogadrolibs-1.93.0[qt5,vtk?] sci-libs/hdf5:= rpc? ( sci-chemistry/molequeue )
-RESTRICT=test
-SLOT=0
-SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/1.93.0.tar.gz -> avogadro2-1.93.0.tar.gz
-_eclasses_=cmake-utils	f40ef5c4fb8eda19cca8d6604bef497e	desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg	6024fbc93167fad782e2032933654857	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=c7218eaa2d4836003edef1a83b65073f
diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1 b/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1
new file mode 100644
index 000000000000..f34f36ffa41a
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/avogadro2-1.95.1
@@ -0,0 +1,15 @@
+BDEPEND=doc? ( app-doc/doxygen media-gfx/graphviz ) dev-util/ninja >=dev-util/cmake-3.20.5
+DEFINED_PHASES=compile configure install postinst postrm preinst prepare test unpack
+DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtwidgets:5 >=sci-libs/avogadrolibs-1.95.1[qt5,vtk?] sci-libs/hdf5:= rpc? ( sci-chemistry/molequeue ) dev-cpp/eigen:3 test? ( dev-qt/qttest:5 )
+DESCRIPTION=Advanced molecule editor and visualizer 2
+EAPI=8
+HOMEPAGE=https://www.openchemistry.org/
+IUSE=rpc test vtk doc
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=BSD GPL-2+
+RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtwidgets:5 >=sci-libs/avogadrolibs-1.95.1[qt5,vtk?] sci-libs/hdf5:= rpc? ( sci-chemistry/molequeue )
+RESTRICT=test
+SLOT=0
+SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/1.95.1.tar.gz -> avogadro2-1.95.1.tar.gz https://github.com/OpenChemistry/avogadro-i18n/archive/3b8a86cc37e988b043d1503d2f11068389b0aca3.tar.gz -> avogadro2-1.95.1-i18n.tar.gz
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	desktop	c0d27bf73aa08ca05b663dbd31fbef28	docs	7c38d94fa7c1b4235fe571dc09e018df	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg	6024fbc93167fad782e2032933654857	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=63852b6e1a0d593b6df49dc2b1b457f0
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6 b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6
index 59b987334b3a..1798a38fbd9f 100644
--- a/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6
+++ b/metadata/md5-cache/sci-chemistry/chemex-2021.4.0_p6
@@ -12,5 +12,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9
 RESTRICT=test !test? ( test )
 SLOT=0
 SRC_URI=https://github.com/gbouvignies/chemex/archive/2021.4.0-dev6.tar.gz -> chemex-2021.4.0_p6.tar.gz
-_eclasses_=distutils-r1	242601d395f54f27cfbc76e53f5e0203	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-single-r1	003123b4d7119cfd295a7566b1830904	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=distutils-r1	d540d96908dd5622f3dfa41d167e632d	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-single-r1	3c5721adc30f98c39739c5970a4762d8	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=e88fafb6cccdbbff67212d6d8600b15b
diff --git a/metadata/md5-cache/sci-chemistry/dssp-4.0.3 b/metadata/md5-cache/sci-chemistry/dssp-4.0.3
index 865cb75925e1..4c438a3fee45 100644
--- a/metadata/md5-cache/sci-chemistry/dssp-4.0.3
+++ b/metadata/md5-cache/sci-chemistry/dssp-4.0.3
@@ -8,5 +8,5 @@ LICENSE=BSD-2
 RDEPEND=>=dev-libs/boost-1.70.0:=[zlib,threads(+)] >=sci-libs/libcifpp-2.0.0
 SLOT=0
 SRC_URI=https://github.com/PDB-REDO/dssp/archive/refs/tags/v4.0.3.tar.gz -> dssp-4.0.3.tar.gz
-_eclasses_=cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
 _md5_=daa868294719659d6a3fd98b76089e85
diff --git a/metadata/md5-cache/sci-chemistry/dssp-4.0.4 b/metadata/md5-cache/sci-chemistry/dssp-4.0.4
new file mode 100644
index 000000000000..31f4e7cde869
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/dssp-4.0.4
@@ -0,0 +1,12 @@
+BDEPEND=>=dev-libs/boost-1.70.0:=[zlib,threads(+)] >=sci-libs/libcifpp-2.0.0 dev-util/ninja >=dev-util/cmake-3.20.5
+DEFINED_PHASES=compile configure install postinst prepare test
+DESCRIPTION=The protein secondary structure standard
+EAPI=8
+HOMEPAGE=https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp
+KEYWORDS=~amd64 ~x86
+LICENSE=BSD-2
+RDEPEND=>=dev-libs/boost-1.70.0:=[zlib,threads(+)] >=sci-libs/libcifpp-2.0.0
+SLOT=0
+SRC_URI=https://github.com/PDB-REDO/dssp/archive/refs/tags/4.0.4.tar.gz -> dssp-4.0.4.tar.gz
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=537f12b4c6b2e521f1b09d169e7640ad
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1
index 007f12c20276..1390300388cb 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.8-r1
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision )
 RESTRICT=!test? ( test )
 SLOT=0/2018.8
 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2018.8.tar.gz doc? ( http://ftp.gromacs.org/manual/manual-2018.8.pdf ) test? ( https://ftp.gromacs.org/regressiontests/regressiontests-2018.8.tar.gz )
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	cuda	8d9c9803e990e31a336935435383ac43	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	readme.gentoo-r1	eebd0164fe61f4f7b64a683e83fdceb1	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=4ade23eb9a31cc1d2bcd425644cea26e
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+_md5_=2da18d702851ad14795d094d2273c625
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r1
index 6c286c14cc10..e1ec1c823782 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r1
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision )
 RESTRICT=!test? ( test )
 SLOT=0/2019.6
 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2019.6.tar.gz doc? ( http://ftp.gromacs.org/manual/manual-2019.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2019.6.tar.gz )
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	cuda	8d9c9803e990e31a336935435383ac43	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	readme.gentoo-r1	eebd0164fe61f4f7b64a683e83fdceb1	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=e47f56f7f6e987bf0e0676fd1bba6481
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+_md5_=e1ebfceb2a545936f2ef97617e5afc7b
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2 b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2
index e6eb1e052130..532629d42d06 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.6-r2
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision )
 RESTRICT=!test? ( test )
 SLOT=0/2019.6
 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2019.6.tar.gz doc? ( http://ftp.gromacs.org/manual/manual-2019.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2019.6.tar.gz )
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-_md5_=7f59eacdacbcbecf0ec7e57c1080fe99
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+_md5_=8b8b8c8318379803f3f27522a3394e7c
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1
index 4480d2d0d6b1..c15969c92160 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.4-r1
@@ -1,4 +1,4 @@
-BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) lmfit? ( sci-libs/lmfit:= ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=7
@@ -6,10 +6,10 @@ HOMEPAGE=http://www.gromacs.org/
 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_8 python_single_target_python3_9
 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
 RESTRICT=!test? ( test )
 SLOT=0/2020.4
 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.4.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.4.tar.gz )
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+_md5_=bd0df586be77f14e14d10dc11d5de341
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2020.7
index 32353b3abbbe..1967d57bbbd2 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.6-r1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.7
@@ -1,15 +1,15 @@
-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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
-EAPI=7
+EAPI=8
 HOMEPAGE=http://www.gromacs.org/
-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_8 python_single_target_python3_9
+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_8 python_single_target_python3_9 python_single_target_python3_10
 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=!test? ( test )
-SLOT=0/2020.6
-SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.6.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.6.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.6.tar.gz )
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-_md5_=5f578ac93f0a9afb10ead42feda2e6d3
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+SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.7.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2020.7.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.7.tar.gz )
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diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1
deleted file mode 100644
index e95f31ecf0e1..000000000000
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.2-r1
+++ /dev/null
@@ -1,15 +0,0 @@
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-DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
-DESCRIPTION=The ultimate molecular dynamics simulation package
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-HOMEPAGE=http://www.gromacs.org/
-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_8 python_single_target_python3_9
-KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos
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-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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
-RESTRICT=!test? ( test )
-SLOT=0/2021.2
-SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.2.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.2.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.2.tar.gz )
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diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1
index 3c6d59e6a5fc..0d4d596461ea 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.3-r1
@@ -1,15 +1,15 @@
-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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
 HOMEPAGE=http://www.gromacs.org/
 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_8 python_single_target_python3_9
-KEYWORDS=amd64 arm ~x86 ~amd64-linux ~x86-linux ~x64-macos
+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 )
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+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
 RESTRICT=!test? ( test )
 SLOT=0/2021.3
 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.3.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.3.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.3.tar.gz )
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diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.4 b/metadata/md5-cache/sci-chemistry/gromacs-2021.4
deleted file mode 100644
index 321c7bf01291..000000000000
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.4
+++ /dev/null
@@ -1,15 +0,0 @@
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-DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
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-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
-RESTRICT=!test? ( test )
-SLOT=0/2021.4
-SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.4.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.4.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.4.tar.gz )
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	cuda	8d9c9803e990e31a336935435383ac43	distutils-r1	242601d395f54f27cfbc76e53f5e0203	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-single-r1	003123b4d7119cfd295a7566b1830904	python-utils-r1	7ee47726753a2bd062a05f6643d849da	readme.gentoo-r1	eebd0164fe61f4f7b64a683e83fdceb1	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=f870b7fa07548e1a61d614182f39bfd7
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.5 b/metadata/md5-cache/sci-chemistry/gromacs-2021.5
index 4e1f8843a994..730373a3f6c1 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.5
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.5
@@ -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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=8
@@ -6,10 +6,10 @@ HOMEPAGE=http://www.gromacs.org/
 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_8 python_single_target_python3_9 python_single_target_python3_10
 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0/2021.5
 SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021.5.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2021.5.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021.5.tar.gz )
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-_md5_=dd85562a01a1e83c887fdb48bc6a5e9c
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+_md5_=b238e533403cc41b4a1e79be7dc32aea
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
index 6a6f30e84d0d..d8c0f626708f 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
@@ -1,14 +1,14 @@
-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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) >=dev-vcs/git-1.8.2.1[curl]
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=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=7
+EAPI=8
 HOMEPAGE=http://www.gromacs.org/
-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_8 python_single_target_python3_9
+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_8 python_single_target_python3_9 python_single_target_python3_10
 LICENSE=LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
 PROPERTIES=live
-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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) !sci-chemistry/gmxapi python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0/2021.9999
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-_md5_=2d57435e93545cedb43919d1baa7d17f
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+_md5_=891a260cb91f38989ae8a55d229be10b
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022 b/metadata/md5-cache/sci-chemistry/gromacs-2022
new file mode 100644
index 000000000000..8be4112a3554
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2022
@@ -0,0 +1,15 @@
+BDEPEND=blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-11[profiler] ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0= ) hwloc? ( sys-apps/hwloc:= ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) virtual/pkgconfig clang? ( >=sys-devel/clang-6:* ) build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
+DESCRIPTION=The ultimate molecular dynamics simulation package
+EAPI=8
+HOMEPAGE=http://www.gromacs.org/
+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_8 python_single_target_python3_9 python_single_target_python3_10
+KEYWORDS=~amd64 ~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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 )
+RESTRICT=!test? ( test )
+SLOT=0/2022
+SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2022.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2022.tar.gz )
+_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	9f12546ab831b81c615d90e6b9e34e68	cuda	8d9c9803e990e31a336935435383ac43	distutils-r1	d540d96908dd5622f3dfa41d167e632d	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-single-r1	3c5721adc30f98c39739c5970a4762d8	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	readme.gentoo-r1	eebd0164fe61f4f7b64a683e83fdceb1	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=b1a6a2c64a9f74fce4b3caf895b7a069
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2022.9999
index dd86b0f8ace0..c868ba525fb3 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-6.5.14[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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=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
@@ -6,9 +6,9 @@ HOMEPAGE=http://www.gromacs.org/
 IUSE=blas 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_8 python_single_target_python3_9 python_single_target_python3_10
 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-6.5.14[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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0/2022.9999
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	cuda	8d9c9803e990e31a336935435383ac43	distutils-r1	242601d395f54f27cfbc76e53f5e0203	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-single-r1	003123b4d7119cfd295a7566b1830904	python-utils-r1	7ee47726753a2bd062a05f6643d849da	readme.gentoo-r1	eebd0164fe61f4f7b64a683e83fdceb1	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=60a2c6523423772b4e5813588723d7b7
+_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	9f12546ab831b81c615d90e6b9e34e68	cuda	8d9c9803e990e31a336935435383ac43	distutils-r1	d540d96908dd5622f3dfa41d167e632d	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-single-r1	3c5721adc30f98c39739c5970a4762d8	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	readme.gentoo-r1	eebd0164fe61f4f7b64a683e83fdceb1	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=411759b5d1aafba82ba53c7034547a5c
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2022_rc1 b/metadata/md5-cache/sci-chemistry/gromacs-2022_rc1
deleted file mode 100644
index 60246d910449..000000000000
--- a/metadata/md5-cache/sci-chemistry/gromacs-2022_rc1
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=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 ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi[cxx] ) sci-libs/lmfit:= >=dev-cpp/muParser-2.3:= python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
-DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
-DESCRIPTION=The ultimate molecular dynamics simulation package
-EAPI=8
-HOMEPAGE=http://www.gromacs.org/
-IUSE=blas 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_8 python_single_target_python3_9 python_single_target_python3_10
-KEYWORDS=~amd64 ~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-6.5.14[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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
-REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 )
-RESTRICT=!test? ( test )
-SLOT=0/2022_rc1
-SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2022-rc1.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-2022-rc1.pdf -> manual-2022_rc1.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2022-rc1.tar.gz )
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	cuda	8d9c9803e990e31a336935435383ac43	distutils-r1	242601d395f54f27cfbc76e53f5e0203	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-single-r1	003123b4d7119cfd295a7566b1830904	python-utils-r1	7ee47726753a2bd062a05f6643d849da	readme.gentoo-r1	eebd0164fe61f4f7b64a683e83fdceb1	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=bd22449c78e2c3b27cc3938371b4407f
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999
index fe608732ab6c..9ee1adbb8042 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-6.5.14[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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) virtual/pkgconfig build-manual? ( app-doc/doxygen python_single_target_python3_8? ( dev-python/sphinx[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/sphinx[python_targets_python3_9(-)] ) python_single_target_python3_10? ( dev-python/sphinx[python_targets_python3_10(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.20.5 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) >=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
@@ -6,9 +6,9 @@ HOMEPAGE=http://www.gromacs.org/
 IUSE=blas 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_8 python_single_target_python3_9 python_single_target_python3_10
 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-6.5.14[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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) !sci-chemistry/gmxapi <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 ) <sci-chemistry/dssp-4 python_single_target_python3_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-r1:3.10 )
 REQUIRED_USE=|| ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 ) ^^ ( python_single_target_python3_8 python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0/9999
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	cuda	8d9c9803e990e31a336935435383ac43	distutils-r1	242601d395f54f27cfbc76e53f5e0203	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-single-r1	003123b4d7119cfd295a7566b1830904	python-utils-r1	7ee47726753a2bd062a05f6643d849da	readme.gentoo-r1	eebd0164fe61f4f7b64a683e83fdceb1	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=60a2c6523423772b4e5813588723d7b7
+_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	9f12546ab831b81c615d90e6b9e34e68	cuda	8d9c9803e990e31a336935435383ac43	distutils-r1	d540d96908dd5622f3dfa41d167e632d	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-single-r1	3c5721adc30f98c39739c5970a4762d8	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	readme.gentoo-r1	eebd0164fe61f4f7b64a683e83fdceb1	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=411759b5d1aafba82ba53c7034547a5c
diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
index 0fce242e7209..ea5433bbeb35 100644
--- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
+++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
 RESTRICT=test
 SLOT=0
 SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.4.tar.gz
-_eclasses_=distutils-r1	242601d395f54f27cfbc76e53f5e0203	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=distutils-r1	d540d96908dd5622f3dfa41d167e632d	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=dbdcffa8a3d57c4db3c130a0096698ea
diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7
index 655deaaeac91..e981a0fe90f7 100644
--- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7
+++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.7
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 python_targe
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.7.tar.gz
-_eclasses_=distutils-r1	242601d395f54f27cfbc76e53f5e0203	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=distutils-r1	d540d96908dd5622f3dfa41d167e632d	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=34e3e44700bff65c157b4746eba8555a
diff --git a/metadata/md5-cache/sci-chemistry/mm-align-20120321 b/metadata/md5-cache/sci-chemistry/mm-align-20120321
index 26cce3c718c9..ddda8a2e6a4d 100644
--- a/metadata/md5-cache/sci-chemistry/mm-align-20120321
+++ b/metadata/md5-cache/sci-chemistry/mm-align-20120321
@@ -8,5 +8,5 @@ LICENSE=tm-align
 RDEPEND=virtual/fortran
 SLOT=0
 SRC_URI=https://dev.gentoo.org/~jlec/distfiles/MM-align-20120321.tar.xz
-_eclasses_=cmake-utils	f40ef5c4fb8eda19cca8d6604bef497e	desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_eclasses_=cmake-utils	f40ef5c4fb8eda19cca8d6604bef497e	desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
 _md5_=49c7ebd406de721ad41571fdc9428f3f
diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25
index a689b52e680f..0c166d76c4f5 100644
--- a/metadata/md5-cache/sci-chemistry/modeller-9.25
+++ b/metadata/md5-cache/sci-chemistry/modeller-9.25
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
 RESTRICT=mirror
 SLOT=0
 SRC_URI=https://salilab.org/modeller/9.25/modeller-9.25.tar.gz
-_eclasses_=distutils-r1	242601d395f54f27cfbc76e53f5e0203	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=distutils-r1	d540d96908dd5622f3dfa41d167e632d	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=5d9975b49fae85d859bbbbd318436f17
diff --git a/metadata/md5-cache/sci-chemistry/molden-5.5 b/metadata/md5-cache/sci-chemistry/molden-5.5
index 6f256ad025ca..041ea2d34105 100644
--- a/metadata/md5-cache/sci-chemistry/molden-5.5
+++ b/metadata/md5-cache/sci-chemistry/molden-5.5
@@ -9,5 +9,5 @@ LICENSE=MOLDEN
 RDEPEND=x11-libs/libXmu virtual/glu opengl? ( media-libs/freeglut virtual/opengl ) virtual/fortran
 SLOT=0
 SRC_URI=ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.5.tar.gz
-_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974
+_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974
 _md5_=e001bc09cd538ab64d80eae49115c766
diff --git a/metadata/md5-cache/sci-chemistry/molden-6.9 b/metadata/md5-cache/sci-chemistry/molden-6.9
new file mode 100644
index 000000000000..bd89a1ad5995
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molden-6.9
@@ -0,0 +1,14 @@
+BDEPEND=virtual/fortran
+DEFINED_PHASES=compile install prepare setup
+DEPEND=x11-libs/libXmu opengl? ( media-libs/freeglut virtual/opengl virtual/glu ) x11-misc/gccmakedep app-editors/vim virtual/fortran
+DESCRIPTION=Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac
+EAPI=8
+HOMEPAGE=https://www.theochem.ru.nl/molden/
+IUSE=opengl
+KEYWORDS=~amd64 ~x86
+LICENSE=MOLDEN
+RDEPEND=x11-libs/libXmu opengl? ( media-libs/freeglut virtual/opengl virtual/glu ) virtual/fortran
+SLOT=0
+SRC_URI=ftp://ftp.science.ru.nl/pub/Molden/molden6.9.tar.gz
+_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	multilib	de4beb52bfa93c4c5d96792a6b5e1784	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_md5_=14e78d228d63f19a1aab1713f81ff6c5
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 38a3b80033ae..d59585ec4109 100644
--- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
+++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
@@ -12,5 +12,5 @@ REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_p
 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	11fee991ab428a3370e5c20fa8231fb6	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	virtualx	fa024aa649b6bd544144bf94893d402c	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	virtualx	fa024aa649b6bd544144bf94893d402c	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
 _md5_=dd52a07ec2949eea740c8d0996a84e76
diff --git a/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2
deleted file mode 100644
index 2a87b1e165c4..000000000000
--- a/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2
+++ /dev/null
@@ -1,13 +0,0 @@
-DEFINED_PHASES=compile install nofetch prepare
-DEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 )
-DESCRIPTION=Display 3D molecules (e.g., proteins) in schematic and detailed representations
-EAPI=5
-HOMEPAGE=http://www.avatar.se/molscript/
-KEYWORDS=amd64 ~ppc x86 ~amd64-linux ~x86-linux
-LICENSE=glut molscript
-RDEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 )
-RESTRICT=fetch
-SLOT=0
-SRC_URI=molscript-2.1.2.tar.gz
-_eclasses_=epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	multilib	de4beb52bfa93c4c5d96792a6b5e1784	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
-_md5_=ad412a372120faaa2971f69d91ee3a15
diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1 b/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1
index 7c589e948498..7399427ef6c0 100644
--- a/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1
+++ b/metadata/md5-cache/sci-chemistry/molsketch-0.4.1-r1
@@ -9,5 +9,5 @@ LICENSE=GPL-2
 RDEPEND=>=sci-chemistry/openbabel-2.2 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5
 SLOT=0
 SRC_URI=mirror://sourceforge/project/molsketch/Molsketch/Beryllium-7%200.4.1/Molsketch-0.4.1-src.tar.gz
-_eclasses_=cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	qmake-utils	f5eb2f69fffe94292aaaf802fb21c8d1	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	qmake-utils	f5eb2f69fffe94292aaaf802fb21c8d1	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
 _md5_=8f6340089860392daa050ce98d1044b0
diff --git a/metadata/md5-cache/sci-chemistry/molsketch-0.7.2 b/metadata/md5-cache/sci-chemistry/molsketch-0.7.2
new file mode 100644
index 000000000000..d4e8c9b1f32a
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/molsketch-0.7.2
@@ -0,0 +1,13 @@
+BDEPEND=dev-util/ninja >=dev-util/cmake-3.20.5
+DEFINED_PHASES=compile configure install postinst postrm preinst prepare test
+DEPEND=>=sci-chemistry/openbabel-3 dev-qt/linguist-tools:5 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5
+DESCRIPTION=A drawing tool for 2D molecular structures
+EAPI=8
+HOMEPAGE=http://molsketch.sourceforge.net/
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=>=sci-chemistry/openbabel-3 dev-qt/linguist-tools:5 dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtprintsupport:5 dev-qt/qtsvg:5 dev-qt/qtwidgets:5
+SLOT=0
+SRC_URI=mirror://sourceforge/project/molsketch/Molsketch/Molsketch-0.7.2-src.tar.gz
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg	6024fbc93167fad782e2032933654857	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=5f152a068df9ee1d5a978514f40d8402
diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1
index 758923b87ee1..3e9a95d135e9 100644
--- a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1
+++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1
@@ -10,5 +10,5 @@ LICENSE=public-domain
 RDEPEND=dev-libs/libf2c virtual/fortran
 SLOT=0
 SRC_URI=http://www.bioinformatics.org/ghemical/download/current/mopac7-1.15.tar.gz http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f
-_eclasses_=autotools	6cc26735fa9dd59e8c62880beda05b6e	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	gnuconfig	262062cef0ba4f22b397193da514a350	libtool	241a8f577b9781a42a7421e53448a44e	multilib	de4beb52bfa93c4c5d96792a6b5e1784	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=autotools	6cc26735fa9dd59e8c62880beda05b6e	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	gnuconfig	262062cef0ba4f22b397193da514a350	libtool	241a8f577b9781a42a7421e53448a44e	multilib	de4beb52bfa93c4c5d96792a6b5e1784	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=b981b7b86833001b2a1b4760fe167342
diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 b/metadata/md5-cache/sci-chemistry/nmrglue-0.7
index 9f77db1b1cf7..72ba7b94201a 100644
--- a/metadata/md5-cache/sci-chemistry/nmrglue-0.7
+++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.7
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 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	242601d395f54f27cfbc76e53f5e0203	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=distutils-r1	d540d96908dd5622f3dfa41d167e632d	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=197459a7eef5261de4cf3cb0315254ac
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r2 b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r2
deleted file mode 100644
index bd181b7048a3..000000000000
--- a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r2
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=>=dev-util/cmake-2.4.10 doc? ( app-doc/doxygen ) dev-util/ninja >=dev-util/cmake-3.9.6
-DEFINED_PHASES=compile configure install postinst prepare setup test
-DEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] )
-DESCRIPTION=Interconverts file formats used in molecular modeling
-EAPI=7
-HOMEPAGE=http://openbabel.org/wiki/Main_Page
-IUSE=doc openmp test wxwidgets
-KEYWORDS=amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos
-LICENSE=GPL-2
-RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidgets? ( x11-libs/wxGTK:3.0-gtk3[X] )
-RESTRICT=!test? ( test )
-SLOT=0/5.0.0
-SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz https://openbabel.org/docs/dev/_static/babel130.png -> openbabel.png
-_eclasses_=cmake-utils	f40ef5c4fb8eda19cca8d6604bef497e	desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	optfeature	30ce9dec2b8943338c9b015bd32bac6a	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	wxwidgets	7e8a20d3bacea0e3ecf6e96fb72180aa	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=3a992bb89238d294de9962799041a415
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 6c62c194f216..818b2df0b2f2 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
+++ b/metadata/md5-cache/sci-chemistry/openbabel-3.1.1_p20210225
@@ -5,12 +5,12 @@ DESCRIPTION=Interconverts file formats used in molecular modeling
 EAPI=8
 HOMEPAGE=https://openbabel.org/
 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_8 python_targets_python3_9 python_targets_python3_10
-KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_targets_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_targets_python3_10? ( >=dev-lang/python-3.10.0_p1-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_8 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	11fee991ab428a3370e5c20fa8231fb6	desktop	c0d27bf73aa08ca05b663dbd31fbef28	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	perl-functions	fea344a91ebf37efadf172c6a3de5a72	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wxwidgets	7e8a20d3bacea0e3ecf6e96fb72180aa	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=c1db8254fc197741d3851ea56e2659ef
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	desktop	c0d27bf73aa08ca05b663dbd31fbef28	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	perl-functions	fea344a91ebf37efadf172c6a3de5a72	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wxwidgets	7e8a20d3bacea0e3ecf6e96fb72180aa	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=847404493940203d4881928db49aafcd
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-9999 b/metadata/md5-cache/sci-chemistry/openbabel-9999
index 7640bfeb792e..df4e68f589df 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-9999
+++ b/metadata/md5-cache/sci-chemistry/openbabel-9999
@@ -12,5 +12,5 @@ REQUIRED_USE=python? ( || ( python_targets_python3_8 python_targets_python3_9 py
 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	11fee991ab428a3370e5c20fa8231fb6	desktop	c0d27bf73aa08ca05b663dbd31fbef28	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	perl-functions	fea344a91ebf37efadf172c6a3de5a72	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wxwidgets	7e8a20d3bacea0e3ecf6e96fb72180aa	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=36b243b87a68fd519b12cfd66f824eb6
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	desktop	c0d27bf73aa08ca05b663dbd31fbef28	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	perl-functions	fea344a91ebf37efadf172c6a3de5a72	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wxwidgets	7e8a20d3bacea0e3ecf6e96fb72180aa	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=e89db4909d6891cd751de30932b64030
diff --git a/metadata/md5-cache/sci-chemistry/pdbcat-1.3 b/metadata/md5-cache/sci-chemistry/pdbcat-1.3
deleted file mode 100644
index 49ba598080d2..000000000000
--- a/metadata/md5-cache/sci-chemistry/pdbcat-1.3
+++ /dev/null
@@ -1,11 +0,0 @@
-DEFINED_PHASES=compile configure install prepare test
-DEPEND=sys-devel/make >=dev-util/cmake-3.9.6
-DESCRIPTION=Manipulate and process PDB files using tools such as Perl, awk, etc
-EAPI=6
-HOMEPAGE=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
-LICENSE=free-noncomm
-SLOT=0
-SRC_URI=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/files/pdbcat-1.3.tar.gz
-_eclasses_=cmake-utils	f40ef5c4fb8eda19cca8d6604bef497e	desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=4ebe1185f44e21cb0c7d7cbb291a8b30
diff --git a/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1 b/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1
new file mode 100644
index 000000000000..8eb119ada0ba
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pdbcat-1.3-r1
@@ -0,0 +1,11 @@
+BDEPEND=dev-util/ninja >=dev-util/cmake-3.20.5
+DEFINED_PHASES=compile configure install prepare test
+DESCRIPTION=Manipulate and process PDB files using tools such as Perl, awk, etc
+EAPI=8
+HOMEPAGE=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=free-noncomm
+SLOT=0
+SRC_URI=http://www.ks.uiuc.edu/Development/MDTools/pdbcat/files/pdbcat-1.3.tar.gz
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=468efdc0276a4b9606711e3ba7fc6d8f
diff --git a/metadata/md5-cache/sci-chemistry/pdbmat-3.89 b/metadata/md5-cache/sci-chemistry/pdbmat-3.89
deleted file mode 100644
index 78144e4fd060..000000000000
--- a/metadata/md5-cache/sci-chemistry/pdbmat-3.89
+++ /dev/null
@@ -1,13 +0,0 @@
-DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=sys-devel/make >=dev-util/cmake-3.9.6 virtual/fortran
-DESCRIPTION=Calculate Tirion's model from pdb structures
-EAPI=6
-HOMEPAGE=http://ecole.modelisation.free.fr/modes.html
-IUSE=examples
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
-LICENSE=CeCILL-2
-RDEPEND=virtual/fortran
-SLOT=0
-SRC_URI=http://ecole.modelisation.free.fr/enm2011.tar.gz -> pdbmat-3.89.tar.gz
-_eclasses_=cmake-utils	f40ef5c4fb8eda19cca8d6604bef497e	desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=5de2f612591221cdc5d57106eab44a2a
diff --git a/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1 b/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1
new file mode 100644
index 000000000000..02a41a4d7013
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pdbmat-3.89-r1
@@ -0,0 +1,14 @@
+BDEPEND=dev-util/ninja >=dev-util/cmake-3.20.5 virtual/fortran
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=virtual/fortran
+DESCRIPTION=Calculate Tirion's model from pdb structures
+EAPI=8
+HOMEPAGE=http://ecole.modelisation.free.fr/modes.html
+IUSE=examples
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=CeCILL-2
+RDEPEND=virtual/fortran
+SLOT=0
+SRC_URI=http://ecole.modelisation.free.fr/enm2011.tar.gz -> pdbmat-3.89.tar.gz
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=d9c289801412f2ea4102c59abe9d1df7
diff --git a/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20 b/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20
deleted file mode 100644
index a7111cd45954..000000000000
--- a/metadata/md5-cache/sci-chemistry/povscript+-2.1.2.2.20
+++ /dev/null
@@ -1,12 +0,0 @@
-DEFINED_PHASES=install postinst prepare
-DEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4:0= sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg:0 virtual/opengl x11-libs/libX11
-DESCRIPTION=Modified molscript that uses POV-Ray, does thermal ellipsoids, and more
-EAPI=5
-HOMEPAGE=https://sites.google.com/site/timfenn/povscript
-KEYWORDS=~amd64 ~ppc ~x86
-LICENSE=glut molscript
-RDEPEND=dev-libs/glib:2 media-libs/freeglut media-libs/giflib >=media-libs/libpng-1.4:0= sci-libs/gts sys-libs/zlib virtual/glu virtual/jpeg:0 virtual/opengl x11-libs/libX11
-SLOT=0
-SRC_URI=https://sites.google.com/site/timfenn/povscript/molscript-2.1.2pov2.20.tar.gz
-_eclasses_=epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	versionator	d3fb3ba33acc3bbbdc4d7970227c100d
-_md5_=1c7b0512e4c4d6becfa989224c02014a
diff --git a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3 b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3
index 8173b88e149d..b93e628f5f9d 100644
--- a/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3
+++ b/metadata/md5-cache/sci-chemistry/procheck-3.5.4-r3
@@ -10,5 +10,5 @@ RDEPEND=app-shells/tcsh virtual/fortran
 RESTRICT=fetch
 SLOT=0
 SRC_URI=procheck-3.5.4.tar.gz procheck-3.5.4-README doc? ( procheck-3.5.4-manual.tar.gz )
-_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	versionator	d3fb3ba33acc3bbbdc4d7970227c100d	wrapper	4251d4c84c25f59094fd557e0063a974
+_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	versionator	d3fb3ba33acc3bbbdc4d7970227c100d	wrapper	4251d4c84c25f59094fd557e0063a974
 _md5_=37126e817c9ca6bc8863625728e8be68
diff --git a/metadata/md5-cache/sci-chemistry/propka-3.2.0 b/metadata/md5-cache/sci-chemistry/propka-3.2.0
index e2405c019f12..dce39564ef02 100644
--- a/metadata/md5-cache/sci-chemistry/propka-3.2.0
+++ b/metadata/md5-cache/sci-chemistry/propka-3.2.0
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=mirror://pypi/p/propka/propka-3.2.0.tar.gz
-_eclasses_=distutils-r1	242601d395f54f27cfbc76e53f5e0203	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=distutils-r1	d540d96908dd5622f3dfa41d167e632d	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=bd048f5978b21207dd0a67d80964171d
diff --git a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2 b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2
index a55e6911c7d5..1c2095b65a61 100644
--- a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2
+++ b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2
@@ -11,5 +11,5 @@ RDEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint
 RESTRICT=test
 SLOT=0
 SRC_URI=mirror://sourceforge/psicode/psi-3.4.0.tar.gz
-_eclasses_=autotools	6cc26735fa9dd59e8c62880beda05b6e	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	gnuconfig	262062cef0ba4f22b397193da514a350	libtool	241a8f577b9781a42a7421e53448a44e	multilib	de4beb52bfa93c4c5d96792a6b5e1784	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
+_eclasses_=autotools	6cc26735fa9dd59e8c62880beda05b6e	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	gnuconfig	262062cef0ba4f22b397193da514a350	libtool	241a8f577b9781a42a7421e53448a44e	multilib	de4beb52bfa93c4c5d96792a6b5e1784	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8
 _md5_=ecd9eddd7cba15554c7599004f94761a
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.5.0 b/metadata/md5-cache/sci-chemistry/pymol-2.5.0
index 6ef3e84913d1..7b607ed20b17 100644
--- a/metadata/md5-cache/sci-chemistry/pymol-2.5.0
+++ b/metadata/md5-cache/sci-chemistry/pymol-2.5.0
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python3_8 python_targets_python3_9 )
 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	c0d27bf73aa08ca05b663dbd31fbef28	distutils-r1	242601d395f54f27cfbc76e53f5e0203	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	optfeature	30ce9dec2b8943338c9b015bd32bac6a	python-r1	0e7a98958af67ee30e3c2b2e3b37c0be	python-utils-r1	7ee47726753a2bd062a05f6643d849da	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg	6024fbc93167fad782e2032933654857	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	distutils-r1	d540d96908dd5622f3dfa41d167e632d	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multibuild	d79bd5b4bc4edcb1f5bc19591f8d4714	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	optfeature	30ce9dec2b8943338c9b015bd32bac6a	python-r1	bcd408f1e4a9669198ef4dfcd5ab8696	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg	6024fbc93167fad782e2032933654857	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
 _md5_=c7ffea6e164d1fd0a5649c6eb3a85da0
diff --git a/metadata/md5-cache/sci-chemistry/raster3d-3.0.6 b/metadata/md5-cache/sci-chemistry/raster3d-3.0.6
index ffc3cffccfb1..205752456f92 100644
--- a/metadata/md5-cache/sci-chemistry/raster3d-3.0.6
+++ b/metadata/md5-cache/sci-chemistry/raster3d-3.0.6
@@ -10,5 +10,5 @@ LICENSE=Artistic-2
 RDEPEND=gd? ( media-libs/gd[jpeg,png] ) tiff? ( media-libs/tiff:0 ) virtual/fortran
 SLOT=0
 SRC_URI=http://www.bmsc.washington.edu/raster3d/Raster3D_3.0-6.tar.gz -> Raster3D_3.0-6.tar
-_eclasses_=edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	multilib	de4beb52bfa93c4c5d96792a6b5e1784	prefix	d04f14b297013ad1410550c0757f14f8	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974
+_eclasses_=edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	multilib	de4beb52bfa93c4c5d96792a6b5e1784	prefix	d04f14b297013ad1410550c0757f14f8	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974
 _md5_=9be75cc0fea7287e4d0805dc7c90da7f
diff --git a/metadata/md5-cache/sci-chemistry/tinker-8.2.1 b/metadata/md5-cache/sci-chemistry/tinker-8.2.1
index 329215d85113..c8195d4deb16 100644
--- a/metadata/md5-cache/sci-chemistry/tinker-8.2.1
+++ b/metadata/md5-cache/sci-chemistry/tinker-8.2.1
@@ -10,5 +10,5 @@ RDEPEND=>=sci-libs/fftw-3.2.2-r1[fortran,threads] dev-libs/maloc !sys-apps/bar !
 RESTRICT=mirror
 SLOT=0
 SRC_URI=http://dasher.wustl.edu/tinker/downloads/tinker-8.2.1.tar.gz
-_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	eapi7-ver	1a0a60ad07c8b32d2faba2d085dc0f24	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	java-pkg-opt-2	e5029f11aa150c447c7e006015f84356	java-utils-2	fe178a2da6b16798a2363acc5543dffa	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	versionator	d3fb3ba33acc3bbbdc4d7970227c100d	wrapper	4251d4c84c25f59094fd557e0063a974
+_eclasses_=desktop	c0d27bf73aa08ca05b663dbd31fbef28	eapi7-ver	1a0a60ad07c8b32d2faba2d085dc0f24	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	java-pkg-opt-2	e5029f11aa150c447c7e006015f84356	java-utils-2	fe178a2da6b16798a2363acc5543dffa	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	versionator	d3fb3ba33acc3bbbdc4d7970227c100d	wrapper	4251d4c84c25f59094fd557e0063a974
 _md5_=fb598b8d929f5e0c789410edc0a98c00
diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914 b/metadata/md5-cache/sci-chemistry/tm-align-20150914
deleted file mode 100644
index 9301f60d1a05..000000000000
--- a/metadata/md5-cache/sci-chemistry/tm-align-20150914
+++ /dev/null
@@ -1,13 +0,0 @@
-DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=sys-devel/make >=dev-util/cmake-3.9.6 virtual/fortran
-DESCRIPTION=Quick & Accurate Structural Alignment
-EAPI=6
-HOMEPAGE=http://zhanglab.ccmb.med.umich.edu/TM-align/
-IUSE=custom-cflags static
-KEYWORDS=amd64 ~ppc ppc64 x86 ~amd64-linux ~x86-linux
-LICENSE=tm-align
-RDEPEND=virtual/fortran
-SLOT=0
-SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20150914.tar.gz
-_eclasses_=cmake-utils	f40ef5c4fb8eda19cca8d6604bef497e	desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	7e39eb204d37699d5f1eaf9f4d61888a	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=2b2071505a3facac3da2f78ecf7b2110
diff --git a/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1 b/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1
new file mode 100644
index 000000000000..4d7c537eab89
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/tm-align-20150914-r1
@@ -0,0 +1,14 @@
+BDEPEND=dev-util/ninja >=dev-util/cmake-3.20.5 virtual/fortran
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=virtual/fortran
+DESCRIPTION=Quick & Accurate Structural Alignment
+EAPI=8
+HOMEPAGE=https://zhanggroup.org/TM-align/
+IUSE=custom-cflags
+KEYWORDS=amd64 ~ppc ppc64 x86 ~amd64-linux ~x86-linux
+LICENSE=tm-align
+RDEPEND=virtual/fortran
+SLOT=0
+SRC_URI=http://zhanglab.ccmb.med.umich.edu/TM-align/TMtools20150914.tar.gz
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	fortran-2	a85daa133d055abaa5ec7504ab4a4c27	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=c0efb6c6f33b081376d1b36ca966aff2
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51
index 475ade75d88a..dccdc50371c2 100644
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha51
@@ -12,5 +12,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9
 RESTRICT=fetch
 SLOT=0
 SRC_URI=vmd-1.9.4a51.src.tar.gz https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha51-gentoo-patches.tar.xz
-_eclasses_=cuda	8d9c9803e990e31a336935435383ac43	desktop	c0d27bf73aa08ca05b663dbd31fbef28	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	prefix	d04f14b297013ad1410550c0757f14f8	python-single-r1	003123b4d7119cfd295a7566b1830904	python-utils-r1	7ee47726753a2bd062a05f6643d849da	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg	6024fbc93167fad782e2032933654857	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_eclasses_=cuda	8d9c9803e990e31a336935435383ac43	desktop	c0d27bf73aa08ca05b663dbd31fbef28	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	prefix	d04f14b297013ad1410550c0757f14f8	python-single-r1	3c5721adc30f98c39739c5970a4762d8	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg	6024fbc93167fad782e2032933654857	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
 _md5_=8b2cc7a2bd011a6f3854147562919701
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55
index 591623e86889..0f332b9ebef9 100644
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha55
@@ -12,5 +12,5 @@ REQUIRED_USE=^^ ( python_single_target_python3_8 python_single_target_python3_9
 RESTRICT=fetch
 SLOT=0
 SRC_URI=vmd-1.9.4a55.src.tar.gz fetch+https://dev.gentoo.org/~pacho/vmd/vmd-1.9.4_alpha51-gentoo-patches.tar.xz
-_eclasses_=cuda	8d9c9803e990e31a336935435383ac43	desktop	c0d27bf73aa08ca05b663dbd31fbef28	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	prefix	d04f14b297013ad1410550c0757f14f8	python-single-r1	003123b4d7119cfd295a7566b1830904	python-utils-r1	7ee47726753a2bd062a05f6643d849da	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg	6024fbc93167fad782e2032933654857	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_eclasses_=cuda	8d9c9803e990e31a336935435383ac43	desktop	c0d27bf73aa08ca05b663dbd31fbef28	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	prefix	d04f14b297013ad1410550c0757f14f8	python-single-r1	3c5721adc30f98c39739c5970a4762d8	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	xdg	6024fbc93167fad782e2032933654857	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
 _md5_=7115cb90c54b213ea4909d2b77d0f2a1
diff --git a/metadata/md5-cache/sci-chemistry/votca-2022 b/metadata/md5-cache/sci-chemistry/votca-2022
index 7b5dc6f24c7d..79b692db7f27 100644
--- a/metadata/md5-cache/sci-chemistry/votca-2022
+++ b/metadata/md5-cache/sci-chemistry/votca-2022
@@ -1,15 +1,16 @@
 BDEPEND=virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp 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:= ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-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/
-IUSE=+gromacs test
+IUSE=+gromacs test python_single_target_python3_8 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 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:= ) 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-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_8 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	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=469ee285e4dd23aefc9c03eff6b6ade3
+_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	9f12546ab831b81c615d90e6b9e34e68	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-single-r1	3c5721adc30f98c39739c5970a4762d8	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=fa681690dc7c4904899bd6807e2ca434
diff --git a/metadata/md5-cache/sci-chemistry/votca-2022_rc2 b/metadata/md5-cache/sci-chemistry/votca-2022_rc2
deleted file mode 100644
index 65bf1f951450..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-2022_rc2
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp 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:= ) 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/
-IUSE=+gromacs test
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp 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:= ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
-RESTRICT=!test? ( test )
-SLOT=0
-SRC_URI=https://github.com/votca/votca/archive/v2022-rc.2.tar.gz -> votca-2022_rc2.tar.gz
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=c9cb47295422c90f6deaedc5f6e83122
diff --git a/metadata/md5-cache/sci-chemistry/votca-9999 b/metadata/md5-cache/sci-chemistry/votca-9999
index c8999545851b..46c7349905d8 100644
--- a/metadata/md5-cache/sci-chemistry/votca-9999
+++ b/metadata/md5-cache/sci-chemistry/votca-9999
@@ -1,14 +1,15 @@
 BDEPEND=virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=!sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp 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:= ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2
+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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-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/
-IUSE=+gromacs test
+IUSE=+gromacs test python_single_target_python3_8 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 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:= ) 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_8? ( >=dev-lang/python-3.8.12_p1-r1:3.8 ) python_single_target_python3_9? ( >=dev-lang/python-3.9.9-r1:3.9 ) python_single_target_python3_10? ( >=dev-lang/python-3.10.0_p1-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_8 python_single_target_python3_9 python_single_target_python3_10 )
 RESTRICT=!test? ( test )
 SLOT=0
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=c9cb47295422c90f6deaedc5f6e83122
+_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	9f12546ab831b81c615d90e6b9e34e68	eapi8-dosym	cd7d420bb5be5ee079f27239ce76b8f5	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	python-single-r1	3c5721adc30f98c39739c5970a4762d8	python-utils-r1	d3d7da5aff94a677154819e0cb95ee36	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=fa681690dc7c4904899bd6807e2ca434
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.5.1 b/metadata/md5-cache/sci-chemistry/votca-csg-1.5.1
deleted file mode 100644
index d099cff45a6c..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-1.5.1
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=~sci-libs/votca-tools-1.5.1 >=dev-cpp/eigen-3.3 gromacs? ( <sci-chemistry/gromacs-2020:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) >=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.9.6
-DESCRIPTION=Votca coarse-graining engine
-EAPI=6
-HOMEPAGE=http://www.votca.org
-IUSE=doc examples extras +gromacs hdf5
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-1.5.1 )
-RDEPEND=~sci-libs/votca-tools-1.5.1 >=dev-cpp/eigen-3.3 gromacs? ( <sci-chemistry/gromacs-2020:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
-SLOT=0
-SRC_URI=https://github.com/votca/csg/archive/v1.5.1.tar.gz -> votca-csg-1.5.1.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.5.1/votca-csg-manual-1.5.1.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.5.1.tar.gz -> votca-csg-tutorials-1.5.1.tar.gz )
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake-utils	f40ef5c4fb8eda19cca8d6604bef497e	desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=d99c6eea2a8214cd6d5f0e2eb06a13d9
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.6.4 b/metadata/md5-cache/sci-chemistry/votca-csg-1.6.4
index 716a547e60c1..606f90ffe078 100644
--- a/metadata/md5-cache/sci-chemistry/votca-csg-1.6.4
+++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.6.4
@@ -1,6 +1,6 @@
 BDEPEND=>=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-1.6.4 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
+DEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-1.6.4 gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) hdf5? ( sci-libs/hdf5 )
 DESCRIPTION=Votca coarse-graining engine
 EAPI=7
 HOMEPAGE=https://www.votca.org/
@@ -8,8 +8,8 @@ IUSE=doc examples extras +gromacs hdf5
 KEYWORDS=amd64 x86 ~amd64-linux
 LICENSE=Apache-2.0
 PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-1.6.4 )
-RDEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-1.6.4 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
+RDEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-1.6.4 gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) hdf5? ( sci-libs/hdf5 )
 SLOT=0
 SRC_URI=https://github.com/votca/csg/archive/v1.6.4.tar.gz -> votca-csg-1.6.4.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.6.4/votca-csg-manual-1.6.4.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.6.4.tar.gz -> votca-csg-tutorials-1.6.4.tar.gz )
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=0c5e4f1979706ca3a2c505a910271516
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+_md5_=2f329cc3dd7168728e805eec9f7a32bf
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-2021 b/metadata/md5-cache/sci-chemistry/votca-csg-2021
deleted file mode 100644
index 3f939af8d684..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-2021
+++ /dev/null
@@ -1,14 +0,0 @@
-BDEPEND=>=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
-DESCRIPTION=Votca coarse-graining engine
-EAPI=7
-HOMEPAGE=https://www.votca.org/
-IUSE=examples extras +gromacs hdf5
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
-SLOT=0
-SRC_URI=https://github.com/votca/csg/archive/v2021.tar.gz -> votca-csg-2021.tar.gz examples? ( https://github.com/votca/csg-tutorials/archive/v2021.tar.gz -> votca-csg-tutorials-2021.tar.gz )
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=5b60b47ec9878e1ef21c5293f2838dec
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-2021.1 b/metadata/md5-cache/sci-chemistry/votca-csg-2021.1
deleted file mode 100644
index eb913245b4e6..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-2021.1
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=>=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021.1 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
-DESCRIPTION=Votca coarse-graining engine
-EAPI=7
-HOMEPAGE=https://www.votca.org/
-IUSE=examples extras +gromacs hdf5 test
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021.1 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
-RESTRICT=!test? ( test )
-SLOT=0
-SRC_URI=https://github.com/votca/csg/archive/v2021.1.tar.gz -> votca-csg-2021.1.tar.gz examples? ( https://github.com/votca/csg-tutorials/archive/v2021.1.tar.gz -> votca-csg-tutorials-2021.1.tar.gz )
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=36697845e114dda663872b4f39c17710
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-2021.2 b/metadata/md5-cache/sci-chemistry/votca-csg-2021.2
index bef60d8d2122..e468256f6250 100644
--- a/metadata/md5-cache/sci-chemistry/votca-csg-2021.2
+++ b/metadata/md5-cache/sci-chemistry/votca-csg-2021.2
@@ -1,15 +1,15 @@
 BDEPEND=>=app-text/txt2tags-2.5 virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5
 DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021.2 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
+DEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021.2 gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) hdf5? ( sci-libs/hdf5 )
 DESCRIPTION=Votca coarse-graining engine
 EAPI=7
 HOMEPAGE=https://www.votca.org/
 IUSE=examples extras +gromacs hdf5 test
 KEYWORDS=~amd64 ~x86 ~amd64-linux
 LICENSE=Apache-2.0
-RDEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021.2 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
+RDEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-2021.2 gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) hdf5? ( sci-libs/hdf5 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/votca/csg/archive/v2021.2.tar.gz -> votca-csg-2021.2.tar.gz examples? ( https://github.com/votca/csg-tutorials/archive/v2021.2.tar.gz -> votca-csg-tutorials-2021.2.tar.gz )
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=36697845e114dda663872b4f39c17710
+_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	9f12546ab831b81c615d90e6b9e34e68	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_md5_=aa61163ebdebfc006a4183a3cbae6c68
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-9999 b/metadata/md5-cache/sci-chemistry/votca-csg-9999
deleted file mode 100644
index 216f6d24acbe..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-9999
+++ /dev/null
@@ -1,14 +0,0 @@
-BDEPEND=virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-9999 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
-DESCRIPTION=Votca coarse-graining engine
-EAPI=7
-HOMEPAGE=https://www.votca.org/
-IUSE=examples extras +gromacs hdf5 test
-LICENSE=Apache-2.0
-PROPERTIES=live
-RDEPEND=app-shells/bash:* >=dev-cpp/eigen-3.3 dev-lang/perl ~sci-libs/votca-tools-9999 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 )
-RESTRICT=!test? ( test )
-SLOT=0
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=9cda1d192741b1fa850610bb3c343de0
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5.1 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5.1
deleted file mode 100644
index f069e795d0c5..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5.1
+++ /dev/null
@@ -1,12 +0,0 @@
-DEFINED_PHASES=compile configure install prepare test
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5.1 dev-util/ninja >=dev-util/cmake-3.9.6
-DESCRIPTION=Extra applications for votca-csg
-EAPI=6
-HOMEPAGE=http://www.votca.org
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5.1
-SLOT=0
-SRC_URI=https://github.com/votca/csgapps/archive/v1.5.1.tar.gz -> votca-csgapps-1.5.1.tar.gz
-_eclasses_=cmake-utils	f40ef5c4fb8eda19cca8d6604bef497e	desktop	c0d27bf73aa08ca05b663dbd31fbef28	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	9f813bb3c47cf2e60619a663b87c5f4e	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	preserve-libs	dbc9f8d2d49c66467bc327fddd8317bd	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	vcs-clean	d271b7bc7e6a009758d7d4ef749174e3	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=09499290221599df8b18ebb3cbce36f7
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.4 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.4
index 0da5babc4140..5bc4ef0cb4e8 100644
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.4
+++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.4
@@ -9,5 +9,5 @@ LICENSE=Apache-2.0
 RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.4
 SLOT=0
 SRC_URI=https://github.com/votca/csgapps/archive/v1.6.4.tar.gz -> votca-csgapps-1.6.4.tar.gz
-_eclasses_=cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_eclasses_=cmake	9f12546ab831b81c615d90e6b9e34e68	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
 _md5_=05cbd3b8f122302c77953bfa3452c293
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.4 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.4
index 9bfd54beb3e1..d9241147f52c 100644
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.4
+++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.4
@@ -9,5 +9,5 @@ LICENSE=Apache-2.0
 RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.4 sci-libs/hdf5[cxx] sci-libs/libxc ~sci-libs/votca-tools-1.6.4
 SLOT=0
 SRC_URI=https://github.com/votca/xtp/archive/v1.6.4.tar.gz -> votca-xtp-1.6.4.tar.gz
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
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 _md5_=2748df7df0e3b59bd0a842fe11ca3f68
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-2021 b/metadata/md5-cache/sci-chemistry/votca-xtp-2021
deleted file mode 100644
index 5f09b805f20e..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-2021
+++ /dev/null
@@ -1,13 +0,0 @@
-BDEPEND=virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-2021 sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-2021
-DESCRIPTION=Votca excitation and charge properties module
-EAPI=7
-HOMEPAGE=https://www.votca.org/
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-2021 sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-2021
-SLOT=0
-SRC_URI=https://github.com/votca/xtp/archive/v2021.tar.gz -> votca-xtp-2021.tar.gz
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=85c7281c1f408e1689f29c458eae5f46
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-2021.1 b/metadata/md5-cache/sci-chemistry/votca-xtp-2021.1
deleted file mode 100644
index 716af287b0d1..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-2021.1
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-2021.1 sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-2021.1
-DESCRIPTION=Votca excitation and charge properties module
-EAPI=7
-HOMEPAGE=https://www.votca.org/
-IUSE=test
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-2021.1 sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-2021.1
-RESTRICT=!test? ( test )
-SLOT=0
-SRC_URI=https://github.com/votca/xtp/archive/v2021.1.tar.gz -> votca-xtp-2021.1.tar.gz
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=8263546cfc693f6fe224a55c0a16dafd
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-2021.2 b/metadata/md5-cache/sci-chemistry/votca-xtp-2021.2
index fe240b2c6bac..5230b6a1e676 100644
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-2021.2
+++ b/metadata/md5-cache/sci-chemistry/votca-xtp-2021.2
@@ -11,5 +11,5 @@ RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-2021.2 sci-libs/hdf5[cxx] s
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/votca/xtp/archive/v2021.2.tar.gz -> votca-xtp-2021.2.tar.gz
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
+_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	9f12546ab831b81c615d90e6b9e34e68	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
 _md5_=8263546cfc693f6fe224a55c0a16dafd
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-9999 b/metadata/md5-cache/sci-chemistry/votca-xtp-9999
deleted file mode 100644
index cf56f2f67886..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-9999
+++ /dev/null
@@ -1,14 +0,0 @@
-BDEPEND=virtual/pkgconfig dev-util/ninja >=dev-util/cmake-3.20.5 >=dev-vcs/git-1.8.2.1[curl]
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 sci-libs/hdf5[cxx] sci-libs/libecpint sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-9999
-DESCRIPTION=Votca excitation and charge properties module
-EAPI=7
-HOMEPAGE=https://www.votca.org/
-IUSE=test
-LICENSE=Apache-2.0
-PROPERTIES=live
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999 sci-libs/hdf5[cxx] sci-libs/libecpint sci-libs/libxc sci-libs/libint:2 ~sci-libs/votca-tools-9999
-RESTRICT=!test? ( test )
-SLOT=0
-_eclasses_=bash-completion-r1	d3a60385655d9b402be765a6de333245	cmake	11fee991ab428a3370e5c20fa8231fb6	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	dab5d8ec471d025b79c9e6906bcf3bff	flag-o-matic	a500d7cc40da3de38c361e889153bdf7	git-r3	cc875b0c1e9b3bdac1af0f82f3ba29da	multilib	de4beb52bfa93c4c5d96792a6b5e1784	multiprocessing	61c959fc55c15c00bbb1079d6a71370b	ninja-utils	a4dab848a4490e8e48cf0baab3e61bc2	strip-linguas	ac3ee41ee2d31d8c41a77c0838320cc7	toolchain-funcs	badd6e329e1f3e6bee99b35bf8763ce8	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	4f29a8b760a594a212abe9c2ba957c31
-_md5_=3ba46831b4efbed133f5cb003e610635
author	V3n3RiX <venerix@koprulu.sector>	2022-03-20 00:40:44 +0000
committer	V3n3RiX <venerix@koprulu.sector>	2022-03-20 00:40:44 +0000
commit	4cbcc855382a06088e2f016f62cafdbcb7e40665 (patch)
tree	356496503d52354aa6d9f2d36126302fed5f3a73 /metadata/md5-cache/sci-chemistry
parent	fcc5224904648a8e6eb528d7603154160a20022f (diff)