gentoo resync : 22.01.2021

62 files changed, 157 insertions, 490 deletions

diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0
index 2eb5494b915a..52b5f6d76ee5 100644
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0
@@ -1,15 +1,15 @@
-BDEPEND=dev-python/six[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/matplotlib[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] sci-libs/numkit[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] test? ( >=dev-python/pandas-0.17[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] ) test? ( >=dev-python/pytest-4.5.0[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)]
+BDEPEND=dev-python/six[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] dev-python/numpy[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] dev-python/matplotlib[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] sci-libs/numkit[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] test? ( >=dev-python/pandas-0.17[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] ) test? ( >=dev-python/pytest-4.5.0[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)?,-python_single_target_python3_7(-)]
 DEFINED_PHASES=compile configure install prepare test unpack
 DESCRIPTION=Python framework for Gromacs
 EAPI=7
 HOMEPAGE=https://gromacswrapper.readthedocs.io
-IUSE=test python_targets_python3_6 python_targets_python3_7
+IUSE=test python_targets_python3_7
 KEYWORDS=~amd64 ~x86
 LICENSE=GPL-3 LGPL-3
-RDEPEND=python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)]
-REQUIRED_USE=|| ( python_targets_python3_6 python_targets_python3_7 )
+RDEPEND=python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,-python_single_target_python3_7(-)]
+REQUIRED_USE=|| ( python_targets_python3_7 )
 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	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd	wrapper	4251d4c84c25f59094fd557e0063a974
+_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd	wrapper	4251d4c84c25f59094fd557e0063a974
 _md5_=3932733dc9fd177f59a16d6e36038120
diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1 b/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1
deleted file mode 100644
index 807ea3db319f..000000000000
--- a/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/scipy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] sci-biology/biopython[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/networkx[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/GridDataFormats[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/netcdf4-python[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/mmtf-python[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/gsd[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/mock[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/duecredit[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] test? ( dev-python/nose[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)]
-DEFINED_PHASES=compile configure install prepare test
-DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories
-EAPI=7
-HOMEPAGE=https://www.mdanalysis.org
-IUSE=test python_targets_python3_6 python_targets_python3_7
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
-LICENSE=GPL-2
-RDEPEND=dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/scipy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] sci-biology/biopython[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/networkx[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/GridDataFormats[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/netcdf4-python[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/mmtf-python[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/gsd[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/mock[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/duecredit[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)]
-REQUIRED_USE=|| ( python_targets_python3_6 python_targets_python3_7 )
-RESTRICT=!test? ( test )
-SLOT=0
-SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-0.18.0.tar.gz
-_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
-_md5_=38c5ed86ae5ece108464e88d0c780ff0
diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0 b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0
new file mode 100644
index 000000000000..44dcf0a450fb
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-1.0.0
@@ -0,0 +1,15 @@
+BDEPEND=>=dev-python/numpy-1.13.3[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/scipy-1.0.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=sci-biology/biopython-1.71[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/networkx-1.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/joblib-0.12[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/matplotlib-1.5.1[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/netcdf4-python[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/mmtf-python-1.0.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/gsd-1.9.3[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/mock[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/duecredit[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/six-1.4.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/tqdm-4.43.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] test? ( >=dev-python/numpy-1.13.3[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/scipy-1.0.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=sci-biology/biopython-1.71[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/networkx-1.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/joblib-0.12[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/matplotlib-1.5.1[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/netcdf4-python[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/mmtf-python-1.0.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/gsd-1.9.3[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/mock[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/duecredit[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/six-1.4.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/tqdm-4.43.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/nose-1.3.7-r4[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+DEFINED_PHASES=compile configure install prepare test
+DESCRIPTION=A python library to analyze and manipulate molecular dynamics trajectories
+EAPI=7
+HOMEPAGE=https://www.mdanalysis.org
+IUSE=test test python_targets_python3_7 python_targets_python3_8 python_targets_python3_9
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=>=dev-python/numpy-1.13.3[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/scipy-1.0.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=sci-biology/biopython-1.71[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/networkx-1.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/GridDataFormats-0.4.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/joblib-0.12[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/matplotlib-1.5.1[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/netcdf4-python[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/mmtf-python-1.0.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/gsd-1.9.3[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/mock[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/duecredit[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/six-1.4.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/tqdm-4.43.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+REQUIRED_USE=|| ( python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 )
+RESTRICT=!test? ( test )
+SLOT=0
+SRC_URI=mirror://pypi/M/MDAnalysis/MDAnalysis-1.0.0.tar.gz
+_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
+_md5_=499365a39d949ec633d87fff6b1b0113
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index f40901e1f21c..a21919463f13 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/autodock-4.2.6 b/metadata/md5-cache/sci-chemistry/autodock-4.2.6
index 588ed2d79175..aeff8d61fa0e 100644
--- a/metadata/md5-cache/sci-chemistry/autodock-4.2.6
+++ b/metadata/md5-cache/sci-chemistry/autodock-4.2.6
@@ -1,4 +1,4 @@
-BDEPEND=>=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+BDEPEND=>=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
 DEFINED_PHASES=compile configure install postinst prepare
 DESCRIPTION=A suite of automated docking tools
 EAPI=7
@@ -8,5 +8,5 @@ KEYWORDS=~amd64 ~x86
 LICENSE=GPL-2
 SLOT=0
 SRC_URI=http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-src.tar.gz
-_eclasses_=autotools	3ec5e49b810b2571ca9c6d76f55867bb	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
 _md5_=d7668bb3320103bf68b0e5508795e623
diff --git a/metadata/md5-cache/sci-chemistry/avogadro2-1.90.0_p20180211 b/metadata/md5-cache/sci-chemistry/avogadro2-1.90.0_p20180211
deleted file mode 100644
index 8a09fae342fd..000000000000
--- a/metadata/md5-cache/sci-chemistry/avogadro2-1.90.0_p20180211
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install postinst postrm prepare test
-DEPEND=dev-cpp/eigen:3 test? ( dev-qt/qttest:5 ) sys-devel/make >=dev-util/cmake-3.9.6
-DESCRIPTION=Advanced molecule editor and visualizer 2
-EAPI=6
-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-1.90.0_p20180211[qt5,vtk?] sci-libs/hdf5:= rpc? ( sci-chemistry/molequeue )
-RESTRICT=test
-SLOT=0
-SRC_URI=https://github.com/OpenChemistry/avogadroapp/archive/d5e1f827be7e9d1cc6755fd68a2b42b0b1d2ec32.tar.gz -> avogadro2-1.90.0_p20180211.tar.gz
-_eclasses_=cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=391c91cbb9b9fd9d096fa536ad81fa48
diff --git a/metadata/md5-cache/sci-chemistry/bodr-9-r1 b/metadata/md5-cache/sci-chemistry/bodr-9-r1
deleted file mode 100644
index 3864807d05c0..000000000000
--- a/metadata/md5-cache/sci-chemistry/bodr-9-r1
+++ /dev/null
@@ -1,10 +0,0 @@
-DEFINED_PHASES=configure prepare
-DEPEND=dev-libs/libxslt
-DESCRIPTION=The Blue Obelisk Data Repository listing element and isotope properties
-EAPI=5
-HOMEPAGE=https://sourceforge.net/projects/bodr
-KEYWORDS=~amd64 ~x86 ~ppc-macos
-LICENSE=MIT
-SLOT=0
-SRC_URI=mirror://sourceforge/bodr/bodr-9.tar.bz2
-_md5_=bf49ec0cb1c58eced0b0dc5d5adc1864
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2018.10.2 b/metadata/md5-cache/sci-chemistry/chemex-2018.10.2
deleted file mode 100644
index 62bc906d77fe..000000000000
--- a/metadata/md5-cache/sci-chemistry/chemex-2018.10.2
+++ /dev/null
@@ -1,16 +0,0 @@
-BDEPEND=python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] )
-DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=python_single_target_python3_6? ( >=dev-python/asteval-0.9.11[python_targets_python3_6(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_6(-)] >=dev-python/matplotlib-1.1[python_targets_python3_6(-)] dev-python/numpy[python_targets_python3_6(-)] dev-python/setuptools_scm[python_targets_python3_6(-)] >=dev-python/scipy-0.11[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/asteval-0.9.11[python_targets_python3_7(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_7(-)] >=dev-python/matplotlib-1.1[python_targets_python3_7(-)] dev-python/numpy[python_targets_python3_7(-)] dev-python/setuptools_scm[python_targets_python3_7(-)] >=dev-python/scipy-0.11[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_8(-)] >=dev-python/matplotlib-1.1[python_targets_python3_8(-)] dev-python/numpy[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-0.11[python_targets_python3_8(-)] )
-DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
-EAPI=7
-HOMEPAGE=https://github.com/gbouvignies/chemex
-IUSE=test python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8
-KEYWORDS=~amd64
-LICENSE=BSD
-RDEPEND=python_single_target_python3_6? ( >=dev-python/asteval-0.9.11[python_targets_python3_6(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_6(-)] >=dev-python/matplotlib-1.1[python_targets_python3_6(-)] dev-python/numpy[python_targets_python3_6(-)] dev-python/setuptools_scm[python_targets_python3_6(-)] >=dev-python/scipy-0.11[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/asteval-0.9.11[python_targets_python3_7(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_7(-)] >=dev-python/matplotlib-1.1[python_targets_python3_7(-)] dev-python/numpy[python_targets_python3_7(-)] dev-python/setuptools_scm[python_targets_python3_7(-)] >=dev-python/scipy-0.11[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_8(-)] >=dev-python/matplotlib-1.1[python_targets_python3_8(-)] dev-python/numpy[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-0.11[python_targets_python3_8(-)] ) python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] )
-REQUIRED_USE=^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 )
-RESTRICT=!test? ( test )
-SLOT=0
-SRC_URI=https://github.com/gbouvignies/chemex/archive/2018.10.2.tar.gz -> chemex-2018.10.2.tar.gz
-_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
-_md5_=a3b9076d5132b8f916d984b1ea8ea345
diff --git a/metadata/md5-cache/sci-chemistry/chemex-2018.10.3 b/metadata/md5-cache/sci-chemistry/chemex-2018.10.3
index 89adb171a544..f6723bd3acfc 100644
--- a/metadata/md5-cache/sci-chemistry/chemex-2018.10.3
+++ b/metadata/md5-cache/sci-chemistry/chemex-2018.10.3
@@ -1,16 +1,16 @@
-BDEPEND=python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] )
+BDEPEND=python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] )
 DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=python_single_target_python3_6? ( >=dev-python/asteval-0.9.11[python_targets_python3_6(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_6(-)] >=dev-python/matplotlib-1.1[python_targets_python3_6(-)] dev-python/numpy[python_targets_python3_6(-)] dev-python/setuptools_scm[python_targets_python3_6(-)] >=dev-python/scipy-0.11[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/asteval-0.9.11[python_targets_python3_7(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_7(-)] >=dev-python/matplotlib-1.1[python_targets_python3_7(-)] dev-python/numpy[python_targets_python3_7(-)] dev-python/setuptools_scm[python_targets_python3_7(-)] >=dev-python/scipy-0.11[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_8(-)] >=dev-python/matplotlib-1.1[python_targets_python3_8(-)] dev-python/numpy[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-0.11[python_targets_python3_8(-)] )
+DEPEND=python_single_target_python3_7? ( >=dev-python/asteval-0.9.11[python_targets_python3_7(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_7(-)] >=dev-python/matplotlib-1.1[python_targets_python3_7(-)] dev-python/numpy[python_targets_python3_7(-)] dev-python/setuptools_scm[python_targets_python3_7(-)] >=dev-python/scipy-0.11[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_8(-)] >=dev-python/matplotlib-1.1[python_targets_python3_8(-)] dev-python/numpy[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-0.11[python_targets_python3_8(-)] )
 DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
 EAPI=7
 HOMEPAGE=https://github.com/gbouvignies/chemex
-IUSE=test python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8
+IUSE=test python_single_target_python3_7 python_single_target_python3_8
 KEYWORDS=~amd64
 LICENSE=BSD
-RDEPEND=python_single_target_python3_6? ( >=dev-python/asteval-0.9.11[python_targets_python3_6(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_6(-)] >=dev-python/matplotlib-1.1[python_targets_python3_6(-)] dev-python/numpy[python_targets_python3_6(-)] dev-python/setuptools_scm[python_targets_python3_6(-)] >=dev-python/scipy-0.11[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/asteval-0.9.11[python_targets_python3_7(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_7(-)] >=dev-python/matplotlib-1.1[python_targets_python3_7(-)] dev-python/numpy[python_targets_python3_7(-)] dev-python/setuptools_scm[python_targets_python3_7(-)] >=dev-python/scipy-0.11[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_8(-)] >=dev-python/matplotlib-1.1[python_targets_python3_8(-)] dev-python/numpy[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-0.11[python_targets_python3_8(-)] ) python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] )
-REQUIRED_USE=^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 )
+RDEPEND=python_single_target_python3_7? ( >=dev-python/asteval-0.9.11[python_targets_python3_7(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_7(-)] >=dev-python/matplotlib-1.1[python_targets_python3_7(-)] dev-python/numpy[python_targets_python3_7(-)] dev-python/setuptools_scm[python_targets_python3_7(-)] >=dev-python/scipy-0.11[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/asteval-0.9.11[python_targets_python3_8(-)] >=dev-python/lmfit-0.9.11[python_targets_python3_8(-)] >=dev-python/matplotlib-1.1[python_targets_python3_8(-)] dev-python/numpy[python_targets_python3_8(-)] dev-python/setuptools_scm[python_targets_python3_8(-)] >=dev-python/scipy-0.11[python_targets_python3_8(-)] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] )
+REQUIRED_USE=^^ ( python_single_target_python3_7 python_single_target_python3_8 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/gbouvignies/chemex/archive/2018.10.3.tar.gz -> chemex-2018.10.3.tar.gz
-_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
+_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
 _md5_=682094d1deaf4d500e13aaa2f7f642f3
diff --git a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4 b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4
index f9adc9e9b77d..31d9423b24d8 100644
--- a/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4
+++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4
@@ -1,4 +1,4 @@
-BDEPEND=dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt || ( gnome-base/librsvg media-gfx/imagemagick[xml,png,svg] ) media-gfx/imagemagick[png] virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+BDEPEND=dev-util/intltool dev-util/desktop-file-utils dev-libs/libxslt || ( gnome-base/librsvg media-gfx/imagemagick[xml,png,svg] ) media-gfx/imagemagick[png] virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
 DEFINED_PHASES=configure postinst postrm preinst prepare
 DEPEND=x11-misc/shared-mime-info dev-util/desktop-file-utils x11-misc/shared-mime-info
 DESCRIPTION=A collection of data files to add support for chemical MIME types
@@ -9,5 +9,5 @@ LICENSE=LGPL-2.1
 RDEPEND=x11-misc/shared-mime-info
 SLOT=0
 SRC_URI=mirror://sourceforge/chemical-mime/chemical-mime-data-0.1.94.tar.bz2
-_eclasses_=autotools	3ec5e49b810b2571ca9c6d76f55867bb	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=ef20453c790cdce1b95bf2825929168e
diff --git a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14 b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14
index c69ec3876a94..2303ed8fdc3f 100644
--- a/metadata/md5-cache/sci-chemistry/chemtool-1.6.14
+++ b/metadata/md5-cache/sci-chemistry/chemtool-1.6.14
@@ -1,4 +1,4 @@
-BDEPEND=virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+BDEPEND=virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
 DEFINED_PHASES=configure install prepare
 DEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf )
 DESCRIPTION=A GTK program for drawing organic molecules
@@ -10,5 +10,5 @@ LICENSE=GPL-2
 RDEPEND=dev-libs/glib:2 media-gfx/transfig x11-libs/gtk+:2 x11-libs/libX11 x11-libs/pango emf? ( media-libs/libemf )
 SLOT=0
 SRC_URI=http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool-1.6.14.tar.gz
-_eclasses_=autotools	3ec5e49b810b2571ca9c6d76f55867bb	desktop	7fd20552ce4cc97e8acb132a499a7dd8	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	desktop	7fd20552ce4cc97e8acb132a499a7dd8	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
 _md5_=ec2a33e3b596e37ff37f7d67c3756378
diff --git a/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1 b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1
index b7ba99ac8c24..eb89312046d5 100644
--- a/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1
+++ b/metadata/md5-cache/sci-chemistry/gelemental-2.0.0-r1
@@ -1,4 +1,4 @@
-BDEPEND=>=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+BDEPEND=>=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
 DEFINED_PHASES=configure postinst postrm prepare
 DEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2 virtual/pkgconfig sys-devel/gettext dev-util/intltool doc? ( app-doc/doxygen )
 DESCRIPTION=Periodic table viewer with detailed information on the chemical elements
@@ -10,5 +10,5 @@ LICENSE=GPL-3 MIT
 RDEPEND=dev-cpp/gtkmm:2.4 dev-cpp/glibmm:2
 SLOT=0
 SRC_URI=https://github.com/ginggs/gelemental/archive/v2.0.0.tar.gz -> gelemental-2.0.0.tar.gz
-_eclasses_=autotools	3ec5e49b810b2571ca9c6d76f55867bb	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=b50ee307aad70b9722f1cd9a1efaf38f
diff --git a/metadata/md5-cache/sci-chemistry/gmxapi-0.0.7.1 b/metadata/md5-cache/sci-chemistry/gmxapi-0.0.7.1
index 8a038809667f..e9ec60b2b3b1 100644
--- a/metadata/md5-cache/sci-chemistry/gmxapi-0.0.7.1
+++ b/metadata/md5-cache/sci-chemistry/gmxapi-0.0.7.1
@@ -1,15 +1,15 @@
 BDEPEND=dev-util/ninja >=dev-util/cmake-3.9.6
 DEFINED_PHASES=compile configure install prepare test
-DEPEND=python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] >=sci-chemistry/gromacs-2019:=
+DEPEND=python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] >=sci-chemistry/gromacs-2019:=
 DESCRIPTION=Gromacs API bindings
 EAPI=7
 HOMEPAGE=https://github.com/kassonlab/gmxapi
-IUSE=python_targets_python3_6 python_targets_python3_7
+IUSE=python_targets_python3_7
 KEYWORDS=~amd64 ~x86
 LICENSE=LGPL-2.1
-RDEPEND=python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] >=sci-chemistry/gromacs-2019:= sci-libs/scikits[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)] dev-python/networkx[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-)]
-REQUIRED_USE=|| ( python_targets_python3_6 python_targets_python3_7 )
+RDEPEND=python_targets_python3_7? ( dev-lang/python:3.7 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] >=sci-chemistry/gromacs-2019:= sci-libs/scikits[python_targets_python3_7(-)?,-python_single_target_python3_7(-)] dev-python/networkx[python_targets_python3_7(-)?,-python_single_target_python3_7(-)]
+REQUIRED_USE=|| ( python_targets_python3_7 )
 SLOT=0
 SRC_URI=https://github.com/kassonlab/gmxapi/archive/v0.0.7.1.tar.gz -> gmxapi-0.0.7.1.tar.gz
-_eclasses_=cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=f3cab1a66b71373c8f805ba35c74d750
diff --git a/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17 b/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17
index abcfc517d9c7..7d77b76062a8 100644
--- a/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17
+++ b/metadata/md5-cache/sci-chemistry/gnome-chemistry-utils-0.14.17
@@ -1,4 +1,4 @@
-BDEPEND=app-doc/doxygen gnome-base/gnome-common virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+BDEPEND=app-doc/doxygen gnome-base/gnome-common virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
 DEFINED_PHASES=configure install postinst postrm preinst prepare
 DEPEND=>=app-text/gnome-doc-utils-0.3.2 >=dev-libs/glib-2.36.0:2 >=dev-libs/libxml2-2.4.16:2 >=gnome-extra/libgsf-1.14.9 >=sci-chemistry/bodr-5 >=sci-chemistry/chemical-mime-data-0.1.94 >=sci-chemistry/openbabel-2.3.0:0 >=x11-libs/cairo-1.6.0 >=x11-libs/gdk-pixbuf-2.22.0 >=x11-libs/goffice-0.10.12 x11-libs/gtk+:3 >=x11-libs/libX11-1.0.0 gnumeric? ( >=app-office/gnumeric-1.12.42 ) dev-util/desktop-file-utils x11-misc/shared-mime-info
 DESCRIPTION=Programs and library containing GTK widgets and C++ classes related to chemistry
@@ -10,5 +10,5 @@ LICENSE=GPL-3
 RDEPEND=>=app-text/gnome-doc-utils-0.3.2 >=dev-libs/glib-2.36.0:2 >=dev-libs/libxml2-2.4.16:2 >=gnome-extra/libgsf-1.14.9 >=sci-chemistry/bodr-5 >=sci-chemistry/chemical-mime-data-0.1.94 >=sci-chemistry/openbabel-2.3.0:0 >=x11-libs/cairo-1.6.0 >=x11-libs/gdk-pixbuf-2.22.0 >=x11-libs/goffice-0.10.12 x11-libs/gtk+:3 >=x11-libs/libX11-1.0.0 gnumeric? ( >=app-office/gnumeric-1.12.42 )
 SLOT=0
 SRC_URI=http://download.savannah.gnu.org/releases/gchemutils/0.14/gnome-chemistry-utils-0.14.17.tar.xz
-_eclasses_=autotools	3ec5e49b810b2571ca9c6d76f55867bb	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=acb40cfeef03de4c4bdba011193ec2de
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.5-r1 b/metadata/md5-cache/sci-chemistry/gromacs-2019.5-r1
deleted file mode 100644
index b7a70ea46a95..000000000000
--- a/metadata/md5-cache/sci-chemistry/gromacs-2019.5-r1
+++ /dev/null
@@ -1,15 +0,0 @@
-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 ) virtual/pkgconfig dev-util/ninja dev-util/cmake
-DEFINED_PHASES=compile configure install postinst prepare pretend test
-DESCRIPTION=The ultimate molecular dynamics simulation package
-EAPI=7
-HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +doc -double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +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
-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 )
-REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack )
-RESTRICT=!test? ( test )
-SLOT=0/2019.5
-SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2019.5.tar.gz doc? ( http://ftp.gromacs.org/manual/manual-2019.5.pdf ) test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2019.5.tar.gz )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=5b73913d7996e428aea7754e0ef423c6
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.4 b/metadata/md5-cache/sci-chemistry/gromacs-2020.4
index 0cab79113ec3..651a71e4798b 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.4
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.4
@@ -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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_6? ( dev-python/sphinx[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_9(-)] )
 DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
 DESCRIPTION=The ultimate molecular dynamics simulation package
 EAPI=7
 HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +custom-cflags +doc -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_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9
+IUSE=X blas cuda +custom-cflags +doc -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_7 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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_7 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 test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.4.tar.gz )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=b64c98a8e5f03d0a11186c0c312409a7
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.5 b/metadata/md5-cache/sci-chemistry/gromacs-2020.5
new file mode 100644
index 000000000000..cfa3905846e0
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.5
@@ -0,0 +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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_9(-)] )
+DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
+DESCRIPTION=The ultimate molecular dynamics simulation package
+EAPI=7
+HOMEPAGE=http://www.gromacs.org/
+IUSE=X blas cuda +custom-cflags +doc -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_7 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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 )
+RESTRICT=!test? ( test )
+SLOT=0/2020.5
+SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2020.5.tar.gz test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2020.5.tar.gz )
+_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=c622a498edb115a98a620954f05d2b0b
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2020.9999
index 716ac48b8b51..ff358bfcd623 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020.9999
@@ -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 ) 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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_6? ( dev-python/sphinx[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_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 ) 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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_9(-)] ) >=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
 HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +custom-cflags +doc -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_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9
+IUSE=X blas cuda +custom-cflags +doc -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_7 python_single_target_python3_8 python_single_target_python3_9
 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 ) 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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 )
 RESTRICT=!test? ( test )
 SLOT=0/2020.9999
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	git-r3	3e7ec3d6619213460c85e2aa48398441	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	git-r3	3e7ec3d6619213460c85e2aa48398441	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=c622a498edb115a98a620954f05d2b0b
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2021.9999
index eff868d47673..557b0e19488e 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 ) 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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_6? ( dev-python/sphinx[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_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 ) 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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_9(-)] ) >=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
 HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +custom-cflags +doc -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_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9
+IUSE=X blas cuda +custom-cflags +doc -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_7 python_single_target_python3_8 python_single_target_python3_9
 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 ) 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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 )
 RESTRICT=!test? ( test )
 SLOT=0/2021.9999
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	git-r3	3e7ec3d6619213460c85e2aa48398441	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	git-r3	3e7ec3d6619213460c85e2aa48398441	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=0e01f620ba5f8e327592fe5cc309616d
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021_beta3 b/metadata/md5-cache/sci-chemistry/gromacs-2021_beta3
deleted file mode 100644
index 87c1a1115515..000000000000
--- a/metadata/md5-cache/sci-chemistry/gromacs-2021_beta3
+++ /dev/null
@@ -1,15 +0,0 @@
-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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_6? ( dev-python/sphinx[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_9(-)] )
-DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
-DESCRIPTION=The ultimate molecular dynamics simulation package
-EAPI=7
-HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +custom-cflags +doc -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_6 python_single_target_python3_7 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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 )
-RESTRICT=!test? ( test )
-SLOT=0/2021_beta3
-SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021-beta3.tar.gz test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021-beta3.tar.gz )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=0e01f620ba5f8e327592fe5cc309616d
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2021_rc1 b/metadata/md5-cache/sci-chemistry/gromacs-2021_rc1
new file mode 100644
index 000000000000..20b432e3da3d
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2021_rc1
@@ -0,0 +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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_9(-)] )
+DEFINED_PHASES=compile configure install postinst prepare pretend setup test unpack
+DESCRIPTION=The ultimate molecular dynamics simulation package
+EAPI=7
+HOMEPAGE=http://www.gromacs.org/
+IUSE=X blas cuda +custom-cflags +doc -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_7 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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 )
+RESTRICT=!test? ( test )
+SLOT=0/2021_rc1
+SRC_URI=http://ftp.gromacs.org/gromacs/gromacs-2021-rc1.tar.gz test? ( http://ftp.gromacs.org/regressiontests/regressiontests-2021-rc1.tar.gz )
+_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=0e01f620ba5f8e327592fe5cc309616d
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999
index 8a52fc5e630e..5bb2807377ec 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-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 ) 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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_6? ( dev-python/sphinx[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_6? ( >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_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 ) 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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python3_7? ( dev-python/sphinx[python_targets_python3_7(-)] ) 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 python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) python_single_target_python3_7? ( >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)] ) python_single_target_python3_8? ( >=dev-python/setuptools-42.0.2[python_targets_python3_8(-)] ) python_single_target_python3_9? ( >=dev-python/setuptools-42.0.2[python_targets_python3_9(-)] ) >=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
 HOMEPAGE=http://www.gromacs.org/
-IUSE=X blas cuda +custom-cflags +doc -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_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9
+IUSE=X blas cuda +custom-cflags +doc -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_7 python_single_target_python3_8 python_single_target_python3_9
 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 ) 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_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
-REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 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_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) !sci-chemistry/gmxapi python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 ) ^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 )
 RESTRICT=!test? ( test )
 SLOT=0/9999
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	git-r3	3e7ec3d6619213460c85e2aa48398441	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	cuda	c2f1b334711bbbf2130f339636dc7515	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	git-r3	3e7ec3d6619213460c85e2aa48398441	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=0e01f620ba5f8e327592fe5cc309616d
diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
index 532ab48f7fe9..eb491195958f 100644
--- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
+++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.4
@@ -1,16 +1,16 @@
-BDEPEND=test? ( dev-python/astor[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pandas[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pytables[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/networkx[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/pytest-4.5.0[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+BDEPEND=test? ( dev-python/astor[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pandas[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pytables[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/networkx[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/pytest-4.5.0[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
 DEFINED_PHASES=compile configure install prepare test
-DEPEND=dev-python/astor[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pandas[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pytables[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/networkx[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] test? ( dev-python/jupyter_client[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/nbformat[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] )
+DEPEND=dev-python/astor[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pandas[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pytables[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/networkx[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] test? ( dev-python/jupyter_client[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/nbformat[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] )
 DESCRIPTION=Read, write and analyze MD trajectories with only a few lines of Python code
 EAPI=7
 HOMEPAGE=http://mdtraj.org
-IUSE=test python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9
+IUSE=test python_targets_python3_7 python_targets_python3_8 python_targets_python3_9
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=GPL-2
-RDEPEND=dev-python/astor[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pandas[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pytables[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/networkx[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
-REQUIRED_USE=|| ( python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 )
+RDEPEND=dev-python/astor[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pandas[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pytables[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/networkx[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+REQUIRED_USE=|| ( python_targets_python3_7 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	f847d402a7ecea58af1958f5b4ec23da	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
+_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
 _md5_=407e11f2f53ac560a1ee704890ef1fd6
diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.25 b/metadata/md5-cache/sci-chemistry/modeller-9.25
index 2e18dc9a10b5..231852711b20 100644
--- a/metadata/md5-cache/sci-chemistry/modeller-9.25
+++ b/metadata/md5-cache/sci-chemistry/modeller-9.25
@@ -1,16 +1,16 @@
-BDEPEND=python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+BDEPEND=python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
 DEFINED_PHASES=compile config configure install postinst postrm prepare setup test
 DEPEND=>=dev-lang/swig-1.3
 DESCRIPTION=Homology or comparative modeling of protein three-dimensional structures
 EAPI=7
 HOMEPAGE=https://salilab.org/modeller/
-IUSE=doc examples python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9
+IUSE=doc examples python_targets_python3_7 python_targets_python3_8 python_targets_python3_9
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=modeller
-RDEPEND=python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
-REQUIRED_USE=|| ( python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 )
+RDEPEND=python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+REQUIRED_USE=|| ( python_targets_python3_7 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	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974
+_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974
 _md5_=45122340aacf95ad7628b2d4863af77a
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 39c5468755b3..e74614920e4d 100644
--- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
+++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0-r1
@@ -1,16 +1,16 @@
 BDEPEND=doc? ( app-doc/doxygen ) dev-util/ninja dev-util/cmake test? ( x11-base/xorg-server[xvfb] x11-apps/xhost )
 DEFINED_PHASES=compile configure install prepare test
-DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] net-libs/cppzmq:0= )
+DEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] net-libs/cppzmq:0= )
 DESCRIPTION=Abstract, manage and coordinate execution of tasks
 EAPI=7
 HOMEPAGE=https://www.openchemistry.org/projects/molequeue/
-IUSE=+client doc server test +zeromq python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 test
+IUSE=+client doc server test +zeromq python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 test
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=BSD
-RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] net-libs/cppzmq:0= )
-REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 ) )
+RDEPEND=dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] net-libs/cppzmq:0= )
+REQUIRED_USE=server? ( client ) test? ( server ) zeromq? ( || ( python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 ) )
 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	ac7cb516f6a288b6a82bc0649ce49878	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	virtualx	7e60d3b10c791ab996f717bc1f30072f	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=cmake	ac7cb516f6a288b6a82bc0649ce49878	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	virtualx	7e60d3b10c791ab996f717bc1f30072f	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=fc3e8c64088aa790e70ec73b41f67c52
diff --git a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1 b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1
index def91bf45b3b..44db908521d4 100644
--- a/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1
+++ b/metadata/md5-cache/sci-chemistry/mopac7-1.15-r1
@@ -1,5 +1,5 @@
 DEFINED_PHASES=compile configure install prepare setup
-DEPEND=dev-libs/libf2c >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran
+DEPEND=dev-libs/libf2c >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4 virtual/fortran
 DESCRIPTION=Autotooled, updated version of a powerful, fast semi-empirical package
 EAPI=5
 HOMEPAGE=https://sourceforge.net/projects/mopac7/
@@ -9,5 +9,5 @@ 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	3ec5e49b810b2571ca9c6d76f55867bb	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	fortran-2	b4796813ccda91c9c0d3463fc90aa969	l10n	8cdd85e169b835d518bc2fd59f780d8e	libtool	f143db5a74ccd9ca28c1234deffede96	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	fortran-2	b4796813ccda91c9c0d3463fc90aa969	l10n	8cdd85e169b835d518bc2fd59f780d8e	libtool	f143db5a74ccd9ca28c1234deffede96	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974
 _md5_=3771f029b2ebed87ddf490178be003a2
diff --git a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4 b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4
index 8bc1047e6593..07ef7ea87a14 100644
--- a/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4
+++ b/metadata/md5-cache/sci-chemistry/mpqc-2.3.1-r4
@@ -1,5 +1,5 @@
 DEFINED_PHASES=configure install postinst prepare test
-DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 ) dev-lang/perl sys-devel/flex sys-apps/sed virtual/pkgconfig doc? ( app-doc/doxygen media-gfx/graphviz ) >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
 DESCRIPTION=The Massively Parallel Quantum Chemistry Program
 EAPI=6
 HOMEPAGE=http://www.mpqc.org/
@@ -9,5 +9,5 @@ LICENSE=GPL-2
 RDEPEND=virtual/blas virtual/lapack mpi? ( virtual/mpi[cxx] ) tk? ( dev-lang/tk:0 )
 SLOT=0
 SRC_URI=mirror://sourceforge/mpqc/mpqc-2.3.1.tar.bz2
-_eclasses_=autotools	3ec5e49b810b2571ca9c6d76f55867bb	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
 _md5_=a765f25fee693dd1943023f3b114039b
diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.7 b/metadata/md5-cache/sci-chemistry/nmrglue-0.7
index 5c2661d244d8..a2883c49fb66 100644
--- a/metadata/md5-cache/sci-chemistry/nmrglue-0.7
+++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.7
@@ -1,16 +1,16 @@
-BDEPEND=test? ( dev-python/matplotlib[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/nose-1.3.7-r4[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] ) python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+BDEPEND=test? ( dev-python/matplotlib[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/nose-1.3.7-r4[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] >=dev-python/setuptools-42.0.2[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
 DEFINED_PHASES=compile configure install prepare test
-DEPEND=dev-python/matplotlib[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+DEPEND=dev-python/matplotlib[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
 DESCRIPTION=A module for working with NMR data in Python
 EAPI=7
 HOMEPAGE=https://nmrglue.com/
-IUSE=test python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9
+IUSE=test python_targets_python3_7 python_targets_python3_8 python_targets_python3_9
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=BSD
-RDEPEND=dev-python/matplotlib[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
-REQUIRED_USE=|| ( python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 )
+RDEPEND=dev-python/matplotlib[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/scipy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+REQUIRED_USE=|| ( python_targets_python3_7 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	f847d402a7ecea58af1958f5b4ec23da	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
+_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
 _md5_=104f5a98bd5a8b0c23ea72e2e8497e5b
diff --git a/metadata/md5-cache/sci-chemistry/numbat-0.999-r1 b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1
index d72c8900fbc3..772db3988005 100644
--- a/metadata/md5-cache/sci-chemistry/numbat-0.999-r1
+++ b/metadata/md5-cache/sci-chemistry/numbat-0.999-r1
@@ -1,5 +1,5 @@
 DEFINED_PHASES=compile configure install prepare test
-DEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
 DESCRIPTION=new user-friendly method built for automatic dX-tensor determination
 EAPI=5
 HOMEPAGE=http://www.nmr.chem.uu.nl/~christophe/numbat.html
@@ -8,5 +8,5 @@ LICENSE=GPL-3
 RDEPEND=gnome-base/libglade:2.0 sci-libs/gsl x11-libs/gtk+:2 sci-chemistry/molmol sci-chemistry/pymol sci-visualization/gnuplot
 SLOT=0
 SRC_URI=http://comp-bio.anu.edu.au/private/downloads/Numbat/Numbat-0.999.tar.gz
-_eclasses_=autotools	3ec5e49b810b2571ca9c6d76f55867bb	autotools-utils	961893b8004e6cf64fbef1cea6ed8bd2	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	l10n	8cdd85e169b835d518bc2fd59f780d8e	libtool	f143db5a74ccd9ca28c1234deffede96	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	autotools-utils	961893b8004e6cf64fbef1cea6ed8bd2	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	l10n	8cdd85e169b835d518bc2fd59f780d8e	libtool	f143db5a74ccd9ca28c1234deffede96	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974
 _md5_=3b685285507fad73053fa0418f660969
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1 b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1
deleted file mode 100644
index 8646287a7619..000000000000
--- a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1
+++ /dev/null
@@ -1,14 +0,0 @@
-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[X] ) >=dev-util/cmake-2.4.8 doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.9.6
-DESCRIPTION=Interconverts file formats used in molecular modeling
-EAPI=6
-HOMEPAGE=http://openbabel.sourceforge.net/
-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[X] )
-RESTRICT=!test? ( test )
-SLOT=0/5.0.0
-SRC_URI=mirror://sourceforge/openbabel/openbabel-2.4.1.tar.gz
-_eclasses_=cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	optfeature	6c9aa35fc16df43d7142ef2660e00e25	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	wxwidgets	e1e6e1eb5b3d911b3abd712f611e2312	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=f19b497ae630fe442b7b1d83cba324cc
diff --git a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1 b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1
index e91995f2b367..d30a91ab4ce2 100644
--- a/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1
+++ b/metadata/md5-cache/sci-chemistry/openbabel-2.4.1-r1
@@ -11,5 +11,5 @@ RDEPEND=dev-cpp/eigen:3 dev-libs/libxml2:2 sci-libs/inchi sys-libs/zlib wxwidget
 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	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	optfeature	6c9aa35fc16df43d7142ef2660e00e25	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	wxwidgets	e1e6e1eb5b3d911b3abd712f611e2312	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	optfeature	6a2add34e06e5a05d88471a33ccdd73e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	wxwidgets	e1e6e1eb5b3d911b3abd712f611e2312	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=cb30029ea1d45388cf4bdde7fb713e8e
diff --git a/metadata/md5-cache/sci-chemistry/propka-3.2.0 b/metadata/md5-cache/sci-chemistry/propka-3.2.0
index 635a8459cd6a..d98cd2e4fd2b 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_7 python_targets_python3_8 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=mirror://pypi/p/propka/propka-3.2.0.tar.gz
-_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
+_eclasses_=distutils-r1	f847d402a7ecea58af1958f5b4ec23da	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
 _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 567b268bca21..420a5028f58a 100644
--- a/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2
+++ b/metadata/md5-cache/sci-chemistry/psi-3.4.0-r2
@@ -1,4 +1,4 @@
-BDEPEND=dev-util/byacc virtual/pkgconfig test? ( dev-lang/perl ) >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+BDEPEND=dev-util/byacc virtual/pkgconfig test? ( dev-lang/perl ) >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
 DEFINED_PHASES=compile configure install prepare setup test
 DEPEND=!sci-visualization/extrema virtual/blas virtual/lapack >=sci-libs/libint-1.1.4:1 virtual/fortran
 DESCRIPTION=Suite for ab initio quantum chemistry computing various molecular properties
@@ -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	3ec5e49b810b2571ca9c6d76f55867bb	fortran-2	b4796813ccda91c9c0d3463fc90aa969	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	fortran-2	b4796813ccda91c9c0d3463fc90aa969	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	d410501a125f99ffb560b0c523cd3d1e	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e
 _md5_=ecd9eddd7cba15554c7599004f94761a
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.4.0 b/metadata/md5-cache/sci-chemistry/pymol-2.4.0
deleted file mode 100644
index e3cae0d59fe8..000000000000
--- a/metadata/md5-cache/sci-chemistry/pymol-2.4.0
+++ /dev/null
@@ -1,16 +0,0 @@
-BDEPEND=python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
-DEFINED_PHASES=compile configure install postinst postrm prepare test
-DEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/PyQt5[opengl,python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pmw[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib
-DESCRIPTION=A Python-extensible molecular graphics system
-EAPI=7
-HOMEPAGE=https://www.pymol.org/
-IUSE=web python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
-LICENSE=PSF-2.2
-RDEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/PyQt5[opengl,python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pmw[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib sci-chemistry/chemical-mime-data python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_6(-)?,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
-REQUIRED_USE=|| ( python_targets_python3_6 python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 )
-RESTRICT=mirror
-SLOT=0
-SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.4.0.tar.gz -> pymol-2.4.0.tar.gz
-_eclasses_=desktop	7fd20552ce4cc97e8acb132a499a7dd8	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	optfeature	6c9aa35fc16df43d7142ef2660e00e25	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=3633965c38ea910292ee7fbcb852e585
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.4.0-r1 b/metadata/md5-cache/sci-chemistry/pymol-2.4.0-r1
new file mode 100644
index 000000000000..bd3067821770
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pymol-2.4.0-r1
@@ -0,0 +1,16 @@
+BDEPEND=python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+DEFINED_PHASES=compile configure install postinst postrm preinst prepare test
+DEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/PyQt5[opengl,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pmw[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) dev-util/desktop-file-utils x11-misc/shared-mime-info
+DESCRIPTION=A Python-extensible molecular graphics system
+EAPI=7
+HOMEPAGE=https://www.pymol.org/
+IUSE=+netcdf web python_targets_python3_7 python_targets_python3_8 python_targets_python3_9
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos
+LICENSE=PSF-2.2
+RDEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp dev-python/pyopengl[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/PyQt5[opengl,python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/numpy[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] dev-python/pmw[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib netcdf? ( sci-libs/netcdf:0= ) sci-chemistry/chemical-mime-data python_targets_python3_7? ( dev-lang/python:3.7 ) python_targets_python3_8? ( dev-lang/python:3.8 ) python_targets_python3_9? ( dev-lang/python:3.9 ) >=dev-lang/python-exec-2:=[python_targets_python3_7(-)?,python_targets_python3_8(-)?,python_targets_python3_9(-)?,-python_single_target_python3_7(-),-python_single_target_python3_8(-),-python_single_target_python3_9(-)]
+REQUIRED_USE=|| ( python_targets_python3_7 python_targets_python3_8 python_targets_python3_9 )
+RESTRICT=mirror
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pymol-1.8.4.0.png.xz https://github.com/schrodinger/pymol-open-source/archive/v2.4.0.tar.gz -> pymol-2.4.0.tar.gz
+_eclasses_=desktop	7fd20552ce4cc97e8acb132a499a7dd8	distutils-r1	f847d402a7ecea58af1958f5b4ec23da	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multibuild	6b3d5ee849dafe6cdfd7b859c211fb01	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	optfeature	6a2add34e06e5a05d88471a33ccdd73e	python-r1	f1d4277b3ad100890cbd62e137f0a769	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=cf59b7a9b73b9b073b6d68f6327f9791
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha43 b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha43
index 025edf1d1cb0..3f9758c47816 100644
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha43
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.4_alpha43
@@ -1,16 +1,16 @@
 BDEPEND=virtual/pkgconfig dev-lang/swig
 DEFINED_PHASES=compile configure install nofetch postinst postrm preinst prepare setup
-DEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat python_single_target_python3_6? ( dev-python/numpy[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/numpy[python_targets_python3_7(-)] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) dev-util/desktop-file-utils x11-misc/shared-mime-info
+DEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat python_single_target_python3_7? ( dev-python/numpy[python_targets_python3_7(-)] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) dev-util/desktop-file-utils x11-misc/shared-mime-info
 DESCRIPTION=Visual Molecular Dynamics
 EAPI=7
 HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/
-IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9
+IUSE=cuda gromacs msms povray sqlite tachyon xinerama python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=vmd
-RDEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat python_single_target_python3_6? ( dev-python/numpy[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/numpy[python_targets_python3_7(-)] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python3_6? ( dev-lang/python:3.6 >=dev-lang/python-exec-2:=[python_targets_python3_6] ) python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
-REQUIRED_USE=^^ ( python_single_target_python3_6 python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 )
+RDEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat python_single_target_python3_7? ( dev-python/numpy[python_targets_python3_7(-)] ) python_single_target_python3_8? ( dev-python/numpy[python_targets_python3_8(-)] ) python_single_target_python3_9? ( dev-python/numpy[python_targets_python3_9(-)] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python3_7? ( dev-lang/python:3.7 >=dev-lang/python-exec-2:=[python_targets_python3_7] ) python_single_target_python3_8? ( dev-lang/python:3.8 >=dev-lang/python-exec-2:=[python_targets_python3_8] ) python_single_target_python3_9? ( dev-lang/python:3.9 >=dev-lang/python-exec-2:=[python_targets_python3_9] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/chemical-mime-data sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
+REQUIRED_USE=^^ ( python_single_target_python3_7 python_single_target_python3_8 python_single_target_python3_9 )
 RESTRICT=fetch
 SLOT=0
 SRC_URI=vmd-1.9.4a43.src.tar https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.3-gentoo-patches.tar.xz https://dev.gentoo.org/~juippis/distfiles/tmp/vmd-1.9.4-gentoo-plugins.patch
-_eclasses_=cuda	c2f1b334711bbbf2130f339636dc7515	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	prefix	de7d8e2b10085ed5ff09ad70e4753e5c	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	e41e32d357e5bdd388b5be2ce24f3883	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=cuda	c2f1b334711bbbf2130f339636dc7515	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	prefix	de7d8e2b10085ed5ff09ad70e4753e5c	python-single-r1	d3100de905f978df912135806cf27188	python-utils-r1	65bb60d137e5a51f58ada69bf3f366da	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=b92014af9861c90f488800870f57fd8e
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.4 b/metadata/md5-cache/sci-chemistry/votca-csg-1.4
deleted file mode 100644
index 4cb5fbc6ba7a..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-1.4
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=~sci-libs/votca-tools-1.4 gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) 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-1.4 )
-RDEPEND=~sci-libs/votca-tools-1.4 gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
-SLOT=0
-SRC_URI=https://github.com/votca/csg/archive/v1.4.tar.gz -> votca-csg-1.4.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.4/votca-csg-manual-1.4.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.4.tar.gz -> votca-csg-tutorials-1.4.tar.gz )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=6cfef67f7506d036823420967dfe3a87
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1
deleted file mode 100644
index 30c3b8b7f1d3..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-1.4.1
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=~sci-libs/votca-tools-1.4.1 gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) 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-1.4.1 )
-RDEPEND=~sci-libs/votca-tools-1.4.1 gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
-SLOT=0
-SRC_URI=https://github.com/votca/csg/archive/v1.4.1.tar.gz -> votca-csg-1.4.1.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.4.1/votca-csg-manual-1.4.1.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.4.1.tar.gz -> votca-csg-tutorials-1.4.1.tar.gz )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=03b3cd6190ae952ffd9c77b06891caae
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.5 b/metadata/md5-cache/sci-chemistry/votca-csg-1.5
deleted file mode 100644
index a22232ee1eb2..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-1.5
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=~sci-libs/votca-tools-1.5 >=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 )
-RDEPEND=~sci-libs/votca-tools-1.5 >=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.tar.gz -> votca-csg-1.5.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.5/votca-csg-manual-1.5.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.5.tar.gz -> votca-csg-tutorials-1.5.tar.gz )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=2ad3f777e2f19deb3f8fef350796d6fd
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.6.1 b/metadata/md5-cache/sci-chemistry/votca-csg-1.6.1
deleted file mode 100644
index 277ad20fb529..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-1.6.1
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=dev-util/ninja >=dev-util/cmake-3.9.6
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=~sci-libs/votca-tools-1.6.1 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* >=app-text/txt2tags-2.5 virtual/pkgconfig
-DESCRIPTION=Votca coarse-graining engine
-EAPI=7
-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-1.6.1 )
-RDEPEND=~sci-libs/votca-tools-1.6.1 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
-SLOT=0
-SRC_URI=https://github.com/votca/csg/archive/v1.6.1.tar.gz -> votca-csg-1.6.1.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.6.1/votca-csg-manual-1.6.1.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.6.1.tar.gz -> votca-csg-tutorials-1.6.1.tar.gz )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=3fa4fd1aa506f12bfd5f393febe8c651
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.6.3 b/metadata/md5-cache/sci-chemistry/votca-csg-1.6.3
deleted file mode 100644
index c31da03abb22..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-1.6.3
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=dev-util/ninja dev-util/cmake
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=~sci-libs/votca-tools-1.6.3 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* >=app-text/txt2tags-2.5 virtual/pkgconfig
-DESCRIPTION=Votca coarse-graining engine
-EAPI=7
-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-1.6.3 )
-RDEPEND=~sci-libs/votca-tools-1.6.3 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
-SLOT=0
-SRC_URI=https://github.com/votca/csg/archive/v1.6.3.tar.gz -> votca-csg-1.6.3.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.6.3/votca-csg-manual-1.6.3.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.6.3.tar.gz -> votca-csg-tutorials-1.6.3.tar.gz )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=73de783d06580e676b0b2cb9274ca1ff
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.6.2 b/metadata/md5-cache/sci-chemistry/votca-csg-1.6.4
index 0d4dd29bce53..79c9154f716e 100644
--- a/metadata/md5-cache/sci-chemistry/votca-csg-1.6.2
+++ b/metadata/md5-cache/sci-chemistry/votca-csg-1.6.4
@@ -1,15 +1,15 @@
 BDEPEND=dev-util/ninja dev-util/cmake
 DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=~sci-libs/votca-tools-1.6.2 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* >=app-text/txt2tags-2.5 virtual/pkgconfig
+DEPEND=~sci-libs/votca-tools-1.6.4 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* >=app-text/txt2tags-2.5 virtual/pkgconfig
 DESCRIPTION=Votca coarse-graining engine
 EAPI=7
 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-1.6.2 )
-RDEPEND=~sci-libs/votca-tools-1.6.2 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
+PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-1.6.4 )
+RDEPEND=~sci-libs/votca-tools-1.6.4 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
 SLOT=0
-SRC_URI=https://github.com/votca/csg/archive/v1.6.2.tar.gz -> votca-csg-1.6.2.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.6.2/votca-csg-manual-1.6.2.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.6.2.tar.gz -> votca-csg-tutorials-1.6.2.tar.gz )
+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	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=73de783d06580e676b0b2cb9274ca1ff
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-1.6_rc1 b/metadata/md5-cache/sci-chemistry/votca-csg-1.6_rc1
deleted file mode 100644
index 0d1c57af08ec..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csg-1.6_rc1
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=dev-util/ninja >=dev-util/cmake-3.9.6
-DEFINED_PHASES=compile configure install postinst prepare test unpack
-DEPEND=~sci-libs/votca-tools-1.6_rc1 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:* >=app-text/txt2tags-2.5 virtual/pkgconfig
-DESCRIPTION=Votca coarse-graining engine
-EAPI=7
-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-1.6_rc1 )
-RDEPEND=~sci-libs/votca-tools-1.6_rc1 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
-SLOT=0
-SRC_URI=https://github.com/votca/csg/archive/v1.6_rc1.tar.gz -> votca-csg-1.6_rc1.tar.gz doc? ( https://github.com/votca/csg-manual/releases/download/v1.6_rc1/votca-csg-manual-1.6_rc1.pdf ) examples? ( https://github.com/votca/csg-tutorials/archive/v1.6_rc1.tar.gz -> votca-csg-tutorials-1.6_rc1.tar.gz )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=a38fc634a76ec08fcb2a68a709455b2e
diff --git a/metadata/md5-cache/sci-chemistry/votca-csg-9999 b/metadata/md5-cache/sci-chemistry/votca-csg-9999
index 635b15c899ad..d805ad80dc46 100644
--- a/metadata/md5-cache/sci-chemistry/votca-csg-9999
+++ b/metadata/md5-cache/sci-chemistry/votca-csg-9999
@@ -6,9 +6,8 @@ EAPI=7
 HOMEPAGE=http://www.votca.org
 IUSE=doc examples extras +gromacs hdf5
 LICENSE=Apache-2.0
-PDEPEND=extras? ( ~sci-chemistry/votca-csgapps-9999 ) doc? ( ~app-doc/votca-csg-manual-9999 )
 PROPERTIES=live
 RDEPEND=~sci-libs/votca-tools-9999 >=dev-cpp/eigen-3.3 gromacs? ( sci-chemistry/gromacs:= ) hdf5? ( sci-libs/hdf5 ) dev-lang/perl app-shells/bash:*
 SLOT=0
 _eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	git-r3	3e7ec3d6619213460c85e2aa48398441	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=6bb46877fac192679af6bb7541ee4267
+_md5_=04f50cca4ba116d952050a9bfdf940a9
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4
deleted file mode 100644
index dc289bed9f99..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4
+++ /dev/null
@@ -1,12 +0,0 @@
-DEFINED_PHASES=compile configure install prepare test
-DEPEND=~sci-chemistry/votca-csg-1.4 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=~sci-chemistry/votca-csg-1.4
-SLOT=0
-SRC_URI=https://github.com/votca/csgapps/archive/v1.4.tar.gz -> votca-csgapps-1.4.tar.gz
-_eclasses_=cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=fe65c9b42b6ad00b174f77692dbed86a
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4.1
deleted file mode 100644
index fcf27c952e78..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.4.1
+++ /dev/null
@@ -1,12 +0,0 @@
-DEFINED_PHASES=compile configure install prepare test
-DEPEND=~sci-chemistry/votca-csg-1.4.1 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=~sci-chemistry/votca-csg-1.4.1
-SLOT=0
-SRC_URI=https://github.com/votca/csgapps/archive/v1.4.1.tar.gz -> votca-csgapps-1.4.1.tar.gz
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-_md5_=6b2a34fa51879d4c5552d145f657d3fd
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5
deleted file mode 100644
index 277e19623a0b..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.5
+++ /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 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
-SLOT=0
-SRC_URI=https://github.com/votca/csgapps/archive/v1.5.tar.gz -> votca-csgapps-1.5.tar.gz
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-_md5_=2b7d2a5d1044633e5ab15fc24c4a8d99
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.1 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.1
deleted file mode 100644
index 5e373859f470..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.1
+++ /dev/null
@@ -1,13 +0,0 @@
-BDEPEND=dev-util/ninja >=dev-util/cmake-3.9.6
-DEFINED_PHASES=compile configure install prepare test
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.1
-DESCRIPTION=Extra applications for votca-csg
-EAPI=7
-HOMEPAGE=http://www.votca.org
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.1
-SLOT=0
-SRC_URI=https://github.com/votca/csgapps/archive/v1.6.1.tar.gz -> votca-csgapps-1.6.1.tar.gz
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-_md5_=d78fa057af1551abfd1e3c611f48a986
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.3 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.3
deleted file mode 100644
index 1493606f27c1..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.3
+++ /dev/null
@@ -1,13 +0,0 @@
-BDEPEND=dev-util/ninja dev-util/cmake
-DEFINED_PHASES=compile configure install prepare test
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.3
-DESCRIPTION=Extra applications for votca-csg
-EAPI=7
-HOMEPAGE=http://www.votca.org
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.3
-SLOT=0
-SRC_URI=https://github.com/votca/csgapps/archive/v1.6.3.tar.gz -> votca-csgapps-1.6.3.tar.gz
-_eclasses_=cmake	ac7cb516f6a288b6a82bc0649ce49878	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=b682eb03616fc9a1d696ace11c821128
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.2 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.4
index 552cebaf8ba3..878972757683 100644
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.2
+++ b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6.4
@@ -1,13 +1,13 @@
 BDEPEND=dev-util/ninja dev-util/cmake
 DEFINED_PHASES=compile configure install prepare test
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.2
+DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.4
 DESCRIPTION=Extra applications for votca-csg
 EAPI=7
 HOMEPAGE=http://www.votca.org
 KEYWORDS=~amd64 ~x86 ~amd64-linux
 LICENSE=Apache-2.0
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.2
+RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6.4
 SLOT=0
-SRC_URI=https://github.com/votca/csgapps/archive/v1.6.2.tar.gz -> votca-csgapps-1.6.2.tar.gz
+SRC_URI=https://github.com/votca/csgapps/archive/v1.6.4.tar.gz -> votca-csgapps-1.6.4.tar.gz
 _eclasses_=cmake	ac7cb516f6a288b6a82bc0649ce49878	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=b682eb03616fc9a1d696ace11c821128
diff --git a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6_rc1 b/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6_rc1
deleted file mode 100644
index b3d5614efae0..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-1.6_rc1
+++ /dev/null
@@ -1,13 +0,0 @@
-BDEPEND=dev-util/ninja >=dev-util/cmake-3.9.6
-DEFINED_PHASES=compile configure install prepare test
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6_rc1
-DESCRIPTION=Extra applications for votca-csg
-EAPI=7
-HOMEPAGE=http://www.votca.org
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.6_rc1
-SLOT=0
-SRC_URI=https://github.com/votca/csgapps/archive/v1.6_rc1.tar.gz -> votca-csgapps-1.6_rc1.tar.gz
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deleted file mode 100644
index 4b1e324cb677..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-csgapps-9999
+++ /dev/null
@@ -1,12 +0,0 @@
-BDEPEND=dev-util/ninja dev-util/cmake >=dev-vcs/git-1.8.2.1[curl]
-DEFINED_PHASES=compile configure install prepare test unpack
-DEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999
-DESCRIPTION=Extra applications for votca-csg
-EAPI=7
-HOMEPAGE=http://www.votca.org
-LICENSE=Apache-2.0
-PROPERTIES=live
-RDEPEND=>=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-9999
-SLOT=0
-_eclasses_=cmake	ac7cb516f6a288b6a82bc0649ce49878	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	git-r3	3e7ec3d6619213460c85e2aa48398441	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
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diff --git a/metadata/md5-cache/sci-chemistry/votca-ctp-1.5 b/metadata/md5-cache/sci-chemistry/votca-ctp-1.5
deleted file mode 100644
index 5db7e4145482..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-ctp-1.5
+++ /dev/null
@@ -1,13 +0,0 @@
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=~sci-libs/votca-tools-1.5[sqlite] >=dev-cpp/eigen-3.3 sci-libs/gsl ~sci-chemistry/votca-csg-1.5 virtual/pkgconfig doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) dev-util/ninja >=dev-util/cmake-3.9.6
-DESCRIPTION=Votca charge transport module
-EAPI=6
-HOMEPAGE=http://www.votca.org
-IUSE=doc
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=~sci-libs/votca-tools-1.5[sqlite] >=dev-cpp/eigen-3.3 sci-libs/gsl ~sci-chemistry/votca-csg-1.5
-SLOT=0
-SRC_URI=https://github.com/votca/ctp/archive/v1.5.tar.gz -> votca-ctp-1.5.tar.gz doc? ( https://github.com/votca/ctp/releases/download/v1.5/votca-ctp-manual-1.5.pdf )
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diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4
deleted file mode 100644
index 038266431a47..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4
+++ /dev/null
@@ -1,13 +0,0 @@
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=~sci-libs/votca-tools-1.4[sqlite] ~sci-chemistry/votca-csg-1.4 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 excitation and charge properties module
-EAPI=6
-HOMEPAGE=http://www.votca.org
-IUSE=doc
-KEYWORDS=amd64 x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=~sci-libs/votca-tools-1.4[sqlite] ~sci-chemistry/votca-csg-1.4
-SLOT=0
-SRC_URI=https://github.com/votca/xtp/archive/v1.4.tar.gz -> votca-xtp-1.4.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.4/votca-xtp-manual-1.4.pdf )
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diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4.1 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.4.1
deleted file mode 100644
index ca92b4869ffb..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-1.4.1
+++ /dev/null
@@ -1,13 +0,0 @@
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=~sci-libs/votca-tools-1.4.1[sqlite] ~sci-chemistry/votca-csg-1.4.1 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 excitation and charge properties module
-EAPI=6
-HOMEPAGE=http://www.votca.org
-IUSE=doc
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=~sci-libs/votca-tools-1.4.1[sqlite] ~sci-chemistry/votca-csg-1.4.1
-SLOT=0
-SRC_URI=https://github.com/votca/xtp/archive/v1.4.1.tar.gz -> votca-xtp-1.4.1.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.4.1/votca-xtp-manual-1.4.1.pdf )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=dca5c43dbc4c81d0bb709adefb616b88
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.5 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.5
deleted file mode 100644
index f0dbf750c5d4..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-1.5
+++ /dev/null
@@ -1,13 +0,0 @@
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=~sci-libs/votca-tools-1.5[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5 sci-libs/ceres-solver sci-libs/libxc >=app-text/txt2tags-2.5 virtual/pkgconfig doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) dev-util/ninja >=dev-util/cmake-3.9.6
-DESCRIPTION=Votca excitation and charge properties module
-EAPI=6
-HOMEPAGE=http://www.votca.org
-IUSE=doc
-KEYWORDS=amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=~sci-libs/votca-tools-1.5[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5 sci-libs/ceres-solver sci-libs/libxc
-SLOT=0
-SRC_URI=https://github.com/votca/xtp/archive/v1.5.tar.gz -> votca-xtp-1.5.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.5/votca-xtp-manual-1.5.pdf )
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
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diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.5.1 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.5.1
deleted file mode 100644
index 2abd6bc9910e..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-1.5.1
+++ /dev/null
@@ -1,13 +0,0 @@
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=~sci-libs/votca-tools-1.5.1[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5.1 sci-libs/ceres-solver sci-libs/libxc >=app-text/txt2tags-2.5 virtual/pkgconfig doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra virtual/latex-base dev-tex/pgf ) dev-util/ninja >=dev-util/cmake-3.9.6
-DESCRIPTION=Votca excitation and charge properties module
-EAPI=6
-HOMEPAGE=http://www.votca.org
-IUSE=doc
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=~sci-libs/votca-tools-1.5.1[sqlite] >=dev-cpp/eigen-3.3 ~sci-chemistry/votca-csg-1.5.1 sci-libs/ceres-solver sci-libs/libxc
-SLOT=0
-SRC_URI=https://github.com/votca/xtp/archive/v1.5.1.tar.gz -> votca-xtp-1.5.1.tar.gz doc? ( https://github.com/votca/xtp/releases/download/v1.5.1/votca-xtp-manual-1.5.1.pdf )
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diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.1 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.1
deleted file mode 100644
index 50341418d51e..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.1
+++ /dev/null
@@ -1,13 +0,0 @@
-BDEPEND=dev-util/ninja >=dev-util/cmake-3.9.6
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=~sci-libs/votca-tools-1.6.1 >=dev-cpp/eigen-3.3 sci-libs/hdf5[cxx] ~sci-chemistry/votca-csg-1.6.1 sci-libs/libxc virtual/pkgconfig
-DESCRIPTION=Votca excitation and charge properties module
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-KEYWORDS=~amd64 ~x86 ~amd64-linux
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-RDEPEND=~sci-libs/votca-tools-1.6.1 >=dev-cpp/eigen-3.3 sci-libs/hdf5[cxx] ~sci-chemistry/votca-csg-1.6.1 sci-libs/libxc
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deleted file mode 100644
index 72e192eb5555..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.2
+++ /dev/null
@@ -1,13 +0,0 @@
-BDEPEND=dev-util/ninja dev-util/cmake
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=~sci-libs/votca-tools-1.6.2 >=dev-cpp/eigen-3.3 sci-libs/hdf5[cxx] ~sci-chemistry/votca-csg-1.6.2 sci-libs/libxc virtual/pkgconfig
-DESCRIPTION=Votca excitation and charge properties module
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-SLOT=0
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diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.3 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.4
index 9114f0e85d99..57630907fc83 100644
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.3
+++ b/metadata/md5-cache/sci-chemistry/votca-xtp-1.6.4
@@ -1,13 +1,13 @@
 BDEPEND=dev-util/ninja dev-util/cmake
 DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=~sci-libs/votca-tools-1.6.3 >=dev-cpp/eigen-3.3 sci-libs/hdf5[cxx] ~sci-chemistry/votca-csg-1.6.3 sci-libs/libxc virtual/pkgconfig
+DEPEND=~sci-libs/votca-tools-1.6.4 >=dev-cpp/eigen-3.3 sci-libs/hdf5[cxx] ~sci-chemistry/votca-csg-1.6.4 sci-libs/libxc virtual/pkgconfig
 DESCRIPTION=Votca excitation and charge properties module
 EAPI=7
 HOMEPAGE=http://www.votca.org
 KEYWORDS=~amd64 ~x86 ~amd64-linux
 LICENSE=Apache-2.0
-RDEPEND=~sci-libs/votca-tools-1.6.3 >=dev-cpp/eigen-3.3 sci-libs/hdf5[cxx] ~sci-chemistry/votca-csg-1.6.3 sci-libs/libxc
+RDEPEND=~sci-libs/votca-tools-1.6.4 >=dev-cpp/eigen-3.3 sci-libs/hdf5[cxx] ~sci-chemistry/votca-csg-1.6.4 sci-libs/libxc
 SLOT=0
-SRC_URI=https://github.com/votca/xtp/archive/v1.6.3.tar.gz -> votca-xtp-1.6.3.tar.gz
+SRC_URI=https://github.com/votca/xtp/archive/v1.6.4.tar.gz -> votca-xtp-1.6.4.tar.gz
 _eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake	ac7cb516f6a288b6a82bc0649ce49878	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=776d0e5783d54a06d909a3d8f75183f8
diff --git a/metadata/md5-cache/sci-chemistry/votca-xtp-1.6_rc1 b/metadata/md5-cache/sci-chemistry/votca-xtp-1.6_rc1
deleted file mode 100644
index 17fe68ae9301..000000000000
--- a/metadata/md5-cache/sci-chemistry/votca-xtp-1.6_rc1
+++ /dev/null
@@ -1,13 +0,0 @@
-BDEPEND=dev-util/ninja >=dev-util/cmake-3.9.6
-DEFINED_PHASES=compile configure install postinst prepare test
-DEPEND=~sci-libs/votca-tools-1.6_rc1 >=dev-cpp/eigen-3.3 sci-libs/hdf5[cxx] ~sci-chemistry/votca-csg-1.6_rc1 sci-libs/libxc virtual/pkgconfig
-DESCRIPTION=Votca excitation and charge properties module
-EAPI=7
-HOMEPAGE=http://www.votca.org
-KEYWORDS=~amd64 ~x86 ~amd64-linux
-LICENSE=Apache-2.0
-RDEPEND=~sci-libs/votca-tools-1.6_rc1 >=dev-cpp/eigen-3.3 sci-libs/hdf5[cxx] ~sci-chemistry/votca-csg-1.6_rc1 sci-libs/libxc
-SLOT=0
-SRC_URI=https://github.com/votca/xtp/archive/v1.6_rc1.tar.gz -> votca-xtp-1.6_rc1.tar.gz
-_eclasses_=bash-completion-r1	be99724bde4274de21e581204e9d164a	cmake-utils	77cd39e6009811bf97a59d91ffd5b54f	edos2unix	33e347e171066657f91f8b0c72ec8773	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	multilib	d410501a125f99ffb560b0c523cd3d1e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	wrapper	4251d4c84c25f59094fd557e0063a974	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=01873f5cbf58258d2b1303964cc9e43b
diff --git a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1 b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1
index 180165016d78..9b4b33914ed7 100644
--- a/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1
+++ b/metadata/md5-cache/sci-chemistry/wxmacmolplt-7.5-r1
@@ -1,5 +1,5 @@
 DEFINED_PHASES=configure install prepare
-DEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.0[X,opengl] virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.1:1.16 >=sys-devel/automake-1.15.1:1.15 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
+DEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.0[X,opengl] virtual/pkgconfig >=app-portage/elt-patches-20170815 || ( >=sys-devel/automake-1.16.2-r1:1.16 ) >=sys-devel/autoconf-2.69 >=sys-devel/libtool-2.4
 DESCRIPTION=Chemical 3D graphics program with GAMESS input builder
 EAPI=5
 HOMEPAGE=http://www.scl.ameslab.gov/MacMolPlt/
@@ -8,5 +8,5 @@ LICENSE=GPL-2
 RDEPEND=media-libs/glew:0= media-libs/mesa[X(+)] x11-libs/wxGTK:3.0[X,opengl]
 SLOT=0
 SRC_URI=https://wxmacmolplt.googlecode.com/files/wxmacmolplt-7.5.tar.gz
-_eclasses_=autotools	3ec5e49b810b2571ca9c6d76f55867bb	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	libtool	f143db5a74ccd9ca28c1234deffede96	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	wxwidgets	e1e6e1eb5b3d911b3abd712f611e2312
+_eclasses_=autotools	9988ecbe04129214297a7bbf3d253710	desktop	7fd20552ce4cc97e8acb132a499a7dd8	edos2unix	33e347e171066657f91f8b0c72ec8773	epatch	e8f1ec13660dc2f44b32775765d85e42	estack	055c42df72f76a4f45ec92b35e83cd56	eutils	2d5b3f4b315094768576b6799e4f926e	flag-o-matic	09a8beb8e6a8e02dc1e1bd83ac353741	l10n	8cdd85e169b835d518bc2fd59f780d8e	libtool	f143db5a74ccd9ca28c1234deffede96	ltprune	4f3f2db5ce3ccbeeacdf3f94954043aa	multilib	d410501a125f99ffb560b0c523cd3d1e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	1a94dc06d324bd0dab754e11abe6d27e	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	wrapper	4251d4c84c25f59094fd557e0063a974	wxwidgets	e1e6e1eb5b3d911b3abd712f611e2312
 _md5_=849a00513493783a73b229962081a993