gentoo resync : 10.02.2020

43 files changed, 178 insertions, 165 deletions

diff --git a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0 b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0
index bd81b20a01da..950c4e11b2d8 100644
--- a/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0
+++ b/metadata/md5-cache/sci-chemistry/GromacsWrapper-0.8.0
@@ -10,5 +10,5 @@ RDEPEND=python_targets_python3_6? ( dev-lang/python:3.6 ) python_targets_python3
 REQUIRED_USE=|| ( python_targets_python3_6 python_targets_python3_7 )
 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	c576838cd67e384002a18edd54be710e	eutils	fcb2aa98e1948b835b5ae66ca52868c5	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd
+_eclasses_=distutils-r1	24ad93542cf9d80a03d58784093b1d44	eutils	fcb2aa98e1948b835b5ae66ca52868c5	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd
 _md5_=72c468e398bd8beabcabfe9521714c2c
diff --git a/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1 b/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1
index bd630d2674bf..8e9dede377ba 100644
--- a/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1
+++ b/metadata/md5-cache/sci-chemistry/MDAnalysis-0.18.0-r1
@@ -11,5 +11,5 @@ 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	c576838cd67e384002a18edd54be710e	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
+_eclasses_=distutils-r1	24ad93542cf9d80a03d58784093b1d44	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
 _md5_=f3070373659b2043aeeeeb07a35e203d
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index 121cc9865a26..efbf9eeac218 100644
--- a/metadata/md5-cache/sci-chemistry/Manifest.gz
+++ b/metadata/md5-cache/sci-chemistry/Manifest.gz
diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3 b/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3
index 992c007987d0..ac9b1fea7516 100644
--- a/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3
+++ b/metadata/md5-cache/sci-chemistry/ParmEd-2.7.3
@@ -10,5 +10,5 @@ RDEPEND=dev-python/numpy[python_targets_python3_6(-)?,-python_single_target_pyth
 REQUIRED_USE=|| ( python_targets_python3_6 )
 SLOT=0
 SRC_URI=https://github.com/ParmEd/ParmEd/archive/2.7.3.tar.gz -> ParmEd-2.7.3.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=cdbdaf38c7805dc4b608e00a021ba743
diff --git a/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3 b/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3
index bac087741316..24cf859eacf7 100644
--- a/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3
+++ b/metadata/md5-cache/sci-chemistry/ParmEd-3.0.3
@@ -10,5 +10,5 @@ RDEPEND=dev-python/numpy[python_targets_python3_6(-)?,-python_single_target_pyth
 REQUIRED_USE=|| ( python_targets_python3_6 )
 SLOT=0
 SRC_URI=https://github.com/ParmEd/ParmEd/archive/3.0.3.tar.gz -> ParmEd-3.0.3.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=1759a2d24533dcf7076abeec2c3b78f2
diff --git a/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2 b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2
index 23925c730b55..2967abeae586 100644
--- a/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2
+++ b/metadata/md5-cache/sci-chemistry/apbs-1.4.1-r2
@@ -1,14 +1,14 @@
 DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=dev-cpp/eigen:3 dev-libs/maloc[mpi=] sys-libs/readline virtual/blas fetk? ( sci-libs/amd sci-libs/fetk sci-libs/superlu sci-libs/umfpack ) mpi? ( virtual/mpi ) python? ( python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) ) virtual/pkgconfig doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.9.6 python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) dev-python/setuptools[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?]
+DEPEND=dev-cpp/eigen:3 dev-libs/maloc[mpi=] sys-libs/readline virtual/blas fetk? ( sci-libs/amd sci-libs/fetk sci-libs/superlu sci-libs/umfpack ) mpi? ( virtual/mpi ) python? ( python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) ) virtual/pkgconfig doc? ( app-doc/doxygen ) sys-devel/make >=dev-util/cmake-3.9.6 python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) python_single_target_python2_7? ( dev-python/setuptools[python_targets_python2_7(-)] )
 DESCRIPTION=Evaluation of electrostatic properties of nanoscale biomolecular systems
 EAPI=6
 HOMEPAGE=https://www.poissonboltzmann.org/apbs/
-IUSE=debug doc examples fast +fetk iapbs mpi openmp python tools +python_targets_python2_7 +python_single_target_python2_7
+IUSE=debug doc examples fast +fetk iapbs mpi openmp python tools +python_single_target_python2_7
 KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
 LICENSE=BSD
 RDEPEND=dev-cpp/eigen:3 dev-libs/maloc[mpi=] sys-libs/readline virtual/blas fetk? ( sci-libs/amd sci-libs/fetk sci-libs/superlu sci-libs/umfpack ) mpi? ( virtual/mpi ) python? ( python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] )
-REQUIRED_USE=iapbs? ( fetk ) mpi? ( !python ) python? ( tools fetk iapbs ^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 ) ) ^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+REQUIRED_USE=iapbs? ( fetk ) mpi? ( !python ) python? ( tools fetk iapbs ^^ ( python_single_target_python2_7 ) ) ^^ ( python_single_target_python2_7 )
 SLOT=0
 SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/archive/74fcb8676de69ed04ddab8976a8b05a6caaf4d65.zip -> apbs-1.4.1.zip
-_eclasses_=cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=aefcedd06fba75a8d81910bc966ee5b3
diff --git a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2 b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2
index ad2c349cf0be..9a3b49e91071 100644
--- a/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2
+++ b/metadata/md5-cache/sci-chemistry/autodock_vina-1.1.2
@@ -1,13 +1,13 @@
-DEFINED_PHASES=compile install prepare
-DEPEND=dev-libs/boost[threads]
+DEFINED_PHASES=compile configure install prepare
+DEPEND=dev-libs/boost:=[threads]
 DESCRIPTION=Program for drug discovery, molecular docking and virtual screening
-EAPI=5
+EAPI=7
 HOMEPAGE=http://vina.scripps.edu/
 IUSE=debug
 KEYWORDS=amd64 x86
 LICENSE=Apache-2.0
-RDEPEND=dev-libs/boost[threads]
+RDEPEND=dev-libs/boost:=[threads]
 SLOT=0
 SRC_URI=http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	preserve-libs	ef207dc62baddfddfd39a164d9797648	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	2352c3fc97241f6a02042773c8287748
-_md5_=5cede7d56a643e731ae4d39e6f4cba3d
+_eclasses_=eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
+_md5_=7ccb7af5dc507fc659264761c8378f60
diff --git a/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r2 b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r2
index 7f10abef1d4b..1b86516a5b08 100644
--- a/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r2
+++ b/metadata/md5-cache/sci-chemistry/bkchem-0.14.0_pre2-r2
@@ -10,5 +10,5 @@ RDEPEND=cairo? ( dev-python/pycairo[python_targets_python2_7(-)?,-python_single_
 REQUIRED_USE=|| ( python_targets_python2_7 )
 SLOT=0
 SRC_URI=http://bkchem.zirael.org/download/bkchem-0.14.0-pre2.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	2352c3fc97241f6a02042773c8287748	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	2352c3fc97241f6a02042773c8287748	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=f1633240a6e979c6aa07d3004b8f8a09
diff --git a/metadata/md5-cache/sci-chemistry/chemex-0.6.1-r2 b/metadata/md5-cache/sci-chemistry/chemex-0.6.1-r2
deleted file mode 100644
index 8de7e1d3a95c..000000000000
--- a/metadata/md5-cache/sci-chemistry/chemex-0.6.1-r2
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=|| ( >=dev-python/matplotlib-python2-1.1[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=dev-python/matplotlib-1.1[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) || ( >=sci-libs/scipy-python2-0.11[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=sci-libs/scipy-0.11[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) dev-python/setuptools[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) dev-python/setuptools[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?]
-DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
-EAPI=6
-HOMEPAGE=https://github.com/gbouvignies/chemex
-IUSE=+python_targets_python2_7 +python_single_target_python2_7
-KEYWORDS=~amd64
-LICENSE=BSD
-RDEPEND=|| ( >=dev-python/matplotlib-python2-1.1[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=dev-python/matplotlib-1.1[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) || ( >=sci-libs/scipy-python2-0.11[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=sci-libs/scipy-0.11[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] )
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
-SLOT=0
-SRC_URI=https://github.com/gbouvignies/chemex/archive/0.6.1.tar.gz -> chemex-0.6.1.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=35fce8c063e1e003149a8f0e93adf171
diff --git a/metadata/md5-cache/sci-chemistry/chemex-0.6.1-r3 b/metadata/md5-cache/sci-chemistry/chemex-0.6.1-r3
new file mode 100644
index 000000000000..a689de7d969c
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemex-0.6.1-r3
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=python_single_target_python2_7? ( || ( >=dev-python/matplotlib-python2-1.1[python_targets_python2_7(-)] >=dev-python/matplotlib-1.1[python_targets_python2_7(-)] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) || ( >=sci-libs/scipy-python2-0.11[python_targets_python2_7(-)] >=sci-libs/scipy-0.11[python_targets_python2_7(-)] ) ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) python_single_target_python2_7? ( dev-python/setuptools[python_targets_python2_7(-)] )
+DESCRIPTION=Program to fit chemical exchange induced shift and relaxation data
+EAPI=6
+HOMEPAGE=https://github.com/gbouvignies/chemex
+IUSE=+python_single_target_python2_7
+KEYWORDS=~amd64
+LICENSE=BSD
+RDEPEND=python_single_target_python2_7? ( || ( >=dev-python/matplotlib-python2-1.1[python_targets_python2_7(-)] >=dev-python/matplotlib-1.1[python_targets_python2_7(-)] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) || ( >=sci-libs/scipy-python2-0.11[python_targets_python2_7(-)] >=sci-libs/scipy-0.11[python_targets_python2_7(-)] ) ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
+SLOT=0
+SRC_URI=https://github.com/gbouvignies/chemex/archive/0.6.1.tar.gz -> chemex-0.6.1.tar.gz
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=e8175331c954b599362e293b84ccf39c
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
new file mode 100644
index 000000000000..686871b944d5
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/chemical-mime-data-0.1.94-r4
@@ -0,0 +1,13 @@
+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
+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
+EAPI=7
+HOMEPAGE=https://github.com/dleidert/chemical-mime
+KEYWORDS=~amd64 ~arm ~arm64 ~x86
+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	ea7865c8fba1ea8d3639f355fffe1a3c	libtool	f143db5a74ccd9ca28c1234deffede96	multilib	1d91b03d42ab6308b5f4f6b598ed110e	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=7c5290687e30875437d4262bc506b981
diff --git a/metadata/md5-cache/sci-chemistry/freeon-1.0.10 b/metadata/md5-cache/sci-chemistry/freeon-1.0.10
index 501e4d18d063..63c26f611493 100644
--- a/metadata/md5-cache/sci-chemistry/freeon-1.0.10
+++ b/metadata/md5-cache/sci-chemistry/freeon-1.0.10
@@ -1,5 +1,5 @@
 DEFINED_PHASES=prepare setup
-DEPEND=sci-libs/hdf5 virtual/blas virtual/lapack || ( dev-lang/python:3.6 >=dev-lang/python-2.7.5-r2:2.7 ) >=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=sci-libs/hdf5 virtual/blas virtual/lapack || ( dev-lang/python:3.6 ) >=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
 DESCRIPTION=An experimental suite of programs for linear scaling quantum chemistry
 EAPI=6
 HOMEPAGE=http://www.freeon.org
@@ -9,4 +9,4 @@ RDEPEND=sci-libs/hdf5 virtual/blas virtual/lapack virtual/fortran
 SLOT=0
 SRC_URI=http://download.savannah.gnu.org/releases/freeon/freeon-1.0.10.tar.bz2
 _eclasses_=autotools	ea7865c8fba1ea8d3639f355fffe1a3c	desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	fortran-2	216ce6fa0e81c0c91667aee598c792dd	libtool	f143db5a74ccd9ca28c1234deffede96	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-any-r1	b6db354660033efd06cd6d7f4905ccea	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
-_md5_=91407d5a6f5a69b557a1545c8d9bafec
+_md5_=543485c2307080eeae76ca9260fb947b
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 bf5e201dc765..1ef207baa898 100644
--- a/metadata/md5-cache/sci-chemistry/gmxapi-0.0.7.1
+++ b/metadata/md5-cache/sci-chemistry/gmxapi-0.0.7.1
@@ -12,4 +12,4 @@ REQUIRED_USE=|| ( python_targets_python3_6 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	be72eac95bd029ad1d81d5d656c3c83b	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=f69fbbd1f2d6722ccfa00c8d0af4bef0
+_md5_=f3cab1a66b71373c8f805ba35c74d750
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.5 b/metadata/md5-cache/sci-chemistry/gromacs-2019.5-r1
index d32f1aa898e0..77ec3cc5ad0d 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2019.5
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.5-r1
@@ -1,15 +1,15 @@
-BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) 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_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6
+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_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python2_7? ( dev-python/sphinx[python_targets_python2_7(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6
 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 +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 +python_targets_python2_7 +python_single_target_python2_7
+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 +python_single_target_python2_7
 KEYWORDS=amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-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_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] )
-REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python2_7 )
 RESTRICT=!test? ( test )
 SLOT=0/2019.5
 SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019.5.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2019.5.tar.gz )
-_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=f7340d52537fddca4b5274593f23c028
+_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=cb6b16f5dce43e3eb029b767e41aa242
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2019.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2019.9999
index 19d7dc5b593c..a34c3b3c5aff 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2019.9999
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2019.9999
@@ -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_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=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_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) virtual/pkgconfig doc? ( app-doc/doxygen python_single_target_python2_7? ( dev-python/sphinx[python_targets_python2_7(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 >=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 +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 +python_targets_python2_7 +python_single_target_python2_7
+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 +python_single_target_python2_7
 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_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] )
-REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ^^ ( python_single_target_python2_7 )
 RESTRICT=!test? ( test )
 SLOT=0/2019.9999
-_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	git-r3	809e27702c573cbba31c08ed00bbad33	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=4a6627448855defe2f541e0074793e00
+_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	git-r3	809e27702c573cbba31c08ed00bbad33	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=074cc86cc9733be5cadd37bc659b3ffe
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020 b/metadata/md5-cache/sci-chemistry/gromacs-2020-r1
index 2dc8a4290852..5a765c297111 100644
--- a/metadata/md5-cache/sci-chemistry/gromacs-2020
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2020-r1
@@ -1,15 +1,15 @@
-BDEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 ) 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] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_pypy3(-),-python_single_target_python2_7(-),-python_single_target_python3_8(-),python_single_target_python3_6(+)?,python_single_target_python3_7(+)?] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 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] ) dev-python/setuptools[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_pypy3(-),-python_single_target_python2_7(-),-python_single_target_python3_8(-),python_single_target_python3_6(+)?,python_single_target_python3_7(+)?]
+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] ) !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(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 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_6? ( dev-python/setuptools[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/setuptools[python_targets_python3_7(-)] )
 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 +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_targets_python3_6 python_targets_python3_7 python_single_target_python3_6 python_single_target_python3_7
+IUSE=X blas cuda +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
 KEYWORDS=~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-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] ) !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] )
-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_6? ( python_targets_python3_6 ) python_single_target_python3_7? ( python_targets_python3_7 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 ) python_single_target_python3_6? ( python_targets_python3_6 ) python_single_target_python3_7? ( python_targets_python3_7 )
+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_6 python_single_target_python3_7 )
 RESTRICT=!test? ( test )
 SLOT=0/2020
 SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2020.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2020.tar.gz )
-_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	distutils-r1	c576838cd67e384002a18edd54be710e	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=16fb00acce4d5bdfbea2b67103cd3b76
+_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	distutils-r1	24ad93542cf9d80a03d58784093b1d44	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=08fcb4307b3e8090369aeb0809b6ab40
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2020.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2020.9999
index 43eae901b937..e2bd23dc7c7a 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] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_pypy3(-),-python_single_target_python2_7(-),-python_single_target_python3_8(-),python_single_target_python3_6(+)?,python_single_target_python3_7(+)?] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 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] ) dev-python/setuptools[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_pypy3(-),-python_single_target_python2_7(-),-python_single_target_python3_8(-),python_single_target_python3_6(+)?,python_single_target_python3_7(+)?] >=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_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] ) !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(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 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_6? ( dev-python/setuptools[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/setuptools[python_targets_python3_7(-)] ) >=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 +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_targets_python3_6 python_targets_python3_7 python_single_target_python3_6 python_single_target_python3_7
+IUSE=X blas cuda +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
 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] ) !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] )
-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_6? ( python_targets_python3_6 ) python_single_target_python3_7? ( python_targets_python3_7 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 ) python_single_target_python3_6? ( python_targets_python3_6 ) python_single_target_python3_7? ( python_targets_python3_7 )
+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_6 python_single_target_python3_7 )
 RESTRICT=!test? ( test )
 SLOT=0/2020.9999
-_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	distutils-r1	c576838cd67e384002a18edd54be710e	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	git-r3	809e27702c573cbba31c08ed00bbad33	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=16fb00acce4d5bdfbea2b67103cd3b76
+_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	distutils-r1	24ad93542cf9d80a03d58784093b1d44	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	git-r3	809e27702c573cbba31c08ed00bbad33	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=08fcb4307b3e8090369aeb0809b6ab40
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-9999 b/metadata/md5-cache/sci-chemistry/gromacs-9999
index 93d7a940aa2f..54e061eb3cd2 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] ) !sci-chemistry/gmxapi virtual/pkgconfig doc? ( app-doc/doxygen dev-python/sphinx[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_pypy3(-),-python_single_target_python2_7(-),-python_single_target_python3_8(-),python_single_target_python3_6(+)?,python_single_target_python3_7(+)?] media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 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] ) dev-python/setuptools[python_targets_python3_6(-)?,python_targets_python3_7(-)?,-python_single_target_pypy3(-),-python_single_target_python2_7(-),-python_single_target_python3_8(-),python_single_target_python3_6(+)?,python_single_target_python3_7(+)?] >=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_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] ) !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(-)] ) media-gfx/mscgen media-gfx/graphviz dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.9.6 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_6? ( dev-python/setuptools[python_targets_python3_6(-)] ) python_single_target_python3_7? ( dev-python/setuptools[python_targets_python3_7(-)] ) >=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 +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_targets_python3_6 python_targets_python3_7 python_single_target_python3_6 python_single_target_python3_7
+IUSE=X blas cuda +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
 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] ) !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] )
-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_6? ( python_targets_python3_6 ) python_single_target_python3_7? ( python_targets_python3_7 ) ^^ ( python_single_target_python3_6 python_single_target_python3_7 ) python_single_target_python3_6? ( python_targets_python3_6 ) python_single_target_python3_7? ( python_targets_python3_7 )
+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_6 python_single_target_python3_7 )
 RESTRICT=!test? ( test )
 SLOT=0/9999
-_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	distutils-r1	c576838cd67e384002a18edd54be710e	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	git-r3	809e27702c573cbba31c08ed00bbad33	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=603d85156a6dc22dcf2485da11edabe6
+_eclasses_=bash-completion-r1	47a7402d95930413ce25ba8d857339bb	cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	cuda	bb861e5221b7272ac90c2f12791c1e66	distutils-r1	24ad93542cf9d80a03d58784093b1d44	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	git-r3	809e27702c573cbba31c08ed00bbad33	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	readme.gentoo-r1	22ae82e140bdd95d17a34fd5fd733190	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=96ba8d07d1e0f1fa70eda3210b3bdb04
diff --git a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.1 b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.1
index 99053657ca98..db99626acb6b 100644
--- a/metadata/md5-cache/sci-chemistry/mdtraj-1.9.1
+++ b/metadata/md5-cache/sci-chemistry/mdtraj-1.9.1
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_6 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=mirror://pypi/m/mdtraj/mdtraj-1.9.1.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=d5c2def55b907191790ccfb305372914
diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.20 b/metadata/md5-cache/sci-chemistry/modeller-9.20
index 295f6595d452..db906ea039ca 100644
--- a/metadata/md5-cache/sci-chemistry/modeller-9.20
+++ b/metadata/md5-cache/sci-chemistry/modeller-9.20
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python2_7 )
 RESTRICT=mirror
 SLOT=0
 SRC_URI=https://salilab.org/modeller/9.20/modeller-9.20.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	2352c3fc97241f6a02042773c8287748	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	2352c3fc97241f6a02042773c8287748	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=ee65458b50a4900e4aae940f90888ece
diff --git a/metadata/md5-cache/sci-chemistry/modeller-9.22 b/metadata/md5-cache/sci-chemistry/modeller-9.22
index c59c10bd4951..879a9df4da13 100644
--- a/metadata/md5-cache/sci-chemistry/modeller-9.22
+++ b/metadata/md5-cache/sci-chemistry/modeller-9.22
@@ -12,5 +12,5 @@ REQUIRED_USE=|| ( python_targets_python2_7 )
 RESTRICT=mirror
 SLOT=0
 SRC_URI=https://salilab.org/modeller/9.22/modeller-9.22.tar.gz
-_eclasses_=distutils-r1	c576838cd67e384002a18edd54be710e	eutils	fcb2aa98e1948b835b5ae66ca52868c5	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
+_eclasses_=distutils-r1	24ad93542cf9d80a03d58784093b1d44	eutils	fcb2aa98e1948b835b5ae66ca52868c5	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
 _md5_=d3fe4515218ae07e5b082055340d0019
diff --git a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0 b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0
index 0661b3fa5b85..0fab5904f505 100644
--- a/metadata/md5-cache/sci-chemistry/molequeue-0.9.0
+++ b/metadata/md5-cache/sci-chemistry/molequeue-0.9.0
@@ -4,13 +4,13 @@ DEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-la
 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_python2_7 +python_single_target_python2_7 test
+IUSE=+client doc server test +zeromq +python_single_target_python2_7 test
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=BSD
 RDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) dev-qt/qtcore:5 dev-qt/qtgui:5 dev-qt/qtnetwork:5 dev-qt/qtwidgets:5 zeromq? ( net-libs/cppzmq:0= )
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 ) server? ( client ) test? ( server )
+REQUIRED_USE=^^ ( python_single_target_python2_7 ) server? ( client ) test? ( server )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/OpenChemistry/molequeue/archive/0.9.0.tar.gz -> molequeue-0.9.0.tar.gz
-_eclasses_=cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	virtualx	e49dbce7ac14426e1155497476915307	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=cmake-utils	be72eac95bd029ad1d81d5d656c3c83b	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	ninja-utils	132cbb376048d079b5a012f5467c4e7f	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	virtualx	e49dbce7ac14426e1155497476915307	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=3ef65c2ea193f8263a6ea903ea0a4e0f
diff --git a/metadata/md5-cache/sci-chemistry/nmrdepaker-1.0-r2 b/metadata/md5-cache/sci-chemistry/nmrdepaker-1.0-r2
deleted file mode 100644
index 88ea6c56e3ff..000000000000
--- a/metadata/md5-cache/sci-chemistry/nmrdepaker-1.0-r2
+++ /dev/null
@@ -1,15 +0,0 @@
-BDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) dev-python/setuptools[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?]
-DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=|| ( >=dev-python/matplotlib-python2-0.98.5[gtk2,python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=dev-python/matplotlib-0.98.5[gtk2,python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=dev-python/numpy-1.2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) >=dev-python/pygtk-2.12:2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?]
-DESCRIPTION=Program to perform NMR spectra 'De-Pake-ing' and moment calculation
-EAPI=7
-HOMEPAGE=https://launchpad.net/nmrdepaker
-IUSE=+python_targets_python2_7 +python_single_target_python2_7
-KEYWORDS=~amd64
-LICENSE=GPL-3+
-RDEPEND=|| ( >=dev-python/matplotlib-python2-0.98.5[gtk2,python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=dev-python/matplotlib-0.98.5[gtk2,python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=dev-python/numpy-1.2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) >=dev-python/pygtk-2.12:2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] )
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
-SLOT=0
-SRC_URI=https://launchpad.net/nmrdepaker/1.0/1.0/+download/nmrdepaker-1.0.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
-_md5_=35346e37748880714d72048456584896
diff --git a/metadata/md5-cache/sci-chemistry/nmrdepaker-1.0-r3 b/metadata/md5-cache/sci-chemistry/nmrdepaker-1.0-r3
new file mode 100644
index 000000000000..49ce1522cd69
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/nmrdepaker-1.0-r3
@@ -0,0 +1,15 @@
+BDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) python_single_target_python2_7? ( dev-python/setuptools[python_targets_python2_7(-)] )
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=python_single_target_python2_7? ( || ( >=dev-python/matplotlib-python2-0.98.5[gtk2,python_targets_python2_7(-)] >=dev-python/matplotlib-0.98.5[gtk2,python_targets_python2_7(-)] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)] >=dev-python/numpy-1.2[python_targets_python2_7(-)] ) >=dev-python/pygtk-2.12:2[python_targets_python2_7(-)] )
+DESCRIPTION=Program to perform NMR spectra 'De-Pake-ing' and moment calculation
+EAPI=7
+HOMEPAGE=https://launchpad.net/nmrdepaker
+IUSE=+python_single_target_python2_7
+KEYWORDS=~amd64
+LICENSE=GPL-3+
+RDEPEND=python_single_target_python2_7? ( || ( >=dev-python/matplotlib-python2-0.98.5[gtk2,python_targets_python2_7(-)] >=dev-python/matplotlib-0.98.5[gtk2,python_targets_python2_7(-)] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)] >=dev-python/numpy-1.2[python_targets_python2_7(-)] ) >=dev-python/pygtk-2.12:2[python_targets_python2_7(-)] ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
+SLOT=0
+SRC_URI=https://launchpad.net/nmrdepaker/1.0/1.0/+download/nmrdepaker-1.0.tar.gz
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
+_md5_=784aca4ac49a5fb71d51186de2b92bdb
diff --git a/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1 b/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1
index 8dcc3898ddc3..6f143b6f03a8 100644
--- a/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1
+++ b/metadata/md5-cache/sci-chemistry/nmrglue-0.5-r1
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python3_6 )
 RESTRICT=!test? ( test )
 SLOT=0
 SRC_URI=https://github.com/jjhelmus/nmrglue/releases/download/v0.5/nmrglue-0.5.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=ab2665c2ea9926fa516db763ec3d8fc1
diff --git a/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1 b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1
index 2ec959766672..c21e1f609bd2 100644
--- a/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1
+++ b/metadata/md5-cache/sci-chemistry/p3d-0.4.3-r1
@@ -10,5 +10,5 @@ RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/
 REQUIRED_USE=|| ( python_targets_python2_7 )
 SLOT=0
 SRC_URI=https://nodeload.github.com/fu/p3d/tarball/0.4.3 -> p3d-0.4.3.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd	versionator	2352c3fc97241f6a02042773c8287748	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	vcs-snapshot	b1abf460a493fc59ebb25de0df3f09dd	versionator	2352c3fc97241f6a02042773c8287748	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=9e3832010a5347eb6c9e4bba5441e9a5
diff --git a/metadata/md5-cache/sci-chemistry/p3d-9999 b/metadata/md5-cache/sci-chemistry/p3d-9999
index 9babb6810380..8d35987ac36e 100644
--- a/metadata/md5-cache/sci-chemistry/p3d-9999
+++ b/metadata/md5-cache/sci-chemistry/p3d-9999
@@ -9,5 +9,5 @@ PROPERTIES=live
 RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
 REQUIRED_USE=|| ( python_targets_python2_7 )
 SLOT=0
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	git-r3	809e27702c573cbba31c08ed00bbad33	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	2352c3fc97241f6a02042773c8287748	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	git-r3	809e27702c573cbba31c08ed00bbad33	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	versionator	2352c3fc97241f6a02042773c8287748	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=e56b17b18475e64f77cf90348444f4e4
diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1
index f8c07b10979f..2391097840b0 100644
--- a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1
+++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r1
@@ -3,12 +3,12 @@ DEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-la
 DESCRIPTION=Tools for manipulating and calculations on wwPDB macromolecule structure files
 EAPI=5
 HOMEPAGE=https://github.com/harmslab/pdbtools
-IUSE=+python_targets_python2_7 +python_single_target_python2_7
+IUSE=+python_single_target_python2_7
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=GPL-3
 RDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) virtual/fortran
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
 SLOT=0
 SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	fortran-2	216ce6fa0e81c0c91667aee598c792dd	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	fortran-2	216ce6fa0e81c0c91667aee598c792dd	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
 _md5_=79e0b84e8830f3f4b7f1624a58b3d7eb
diff --git a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2 b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2
index de1f969b9e48..80318c4a3166 100644
--- a/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2
+++ b/metadata/md5-cache/sci-chemistry/pdb-tools-0.2.1-r2
@@ -3,12 +3,12 @@ DEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-la
 DESCRIPTION=Tools for manipulating and calculations on wwPDB macromolecule structure files
 EAPI=5
 HOMEPAGE=https://github.com/harmslab/pdbtools
-IUSE=+python_targets_python2_7 +python_single_target_python2_7
+IUSE=+python_single_target_python2_7
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=GPL-3
 RDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) virtual/fortran
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
 SLOT=0
 SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	fortran-2	216ce6fa0e81c0c91667aee598c792dd	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	fortran-2	216ce6fa0e81c0c91667aee598c792dd	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
 _md5_=6829f5fae8d0bf0ffdef84abe46217bb
diff --git a/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r2 b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r2
deleted file mode 100644
index 4974a892b1b2..000000000000
--- a/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r2
+++ /dev/null
@@ -1,14 +0,0 @@
-DEFINED_PHASES=compile configure install prepare setup test
-DEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) dev-lang/swig:0 dev-util/scons[python_targets_python2_7] virtual/fortran
-DESCRIPTION=Automated pipeline for performing Poisson-Boltzmann electrostatics calculations
-EAPI=5
-HOMEPAGE=https://www.poissonboltzmann.org/
-IUSE=doc examples opal +pdb2pka python_targets_python2_7
-KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
-LICENSE=BSD
-RDEPEND=python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) sci-chemistry/openbabel-python[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) pdb2pka? ( sci-chemistry/apbs[python_targets_python2_7(-)?,-python_single_target_python2_7(-),-mpi] ) virtual/fortran
-REQUIRED_USE=|| ( python_targets_python2_7 )
-SLOT=0
-SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/releases/download/pdb2pqr-1.9.0/pdb2pqr-src-1.9.0.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	fortran-2	216ce6fa0e81c0c91667aee598c792dd	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	scons-utils	741000d14c0b59263aac3f3cf6e39909	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
-_md5_=a88a1b88b3b0c683ceb9e27c9fb32711
diff --git a/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r3 b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r3
new file mode 100644
index 000000000000..b5ed4ece1875
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r3
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install prepare setup test
+DEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) python_single_target_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) sci-chemistry/openbabel-python[python_targets_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)] ) ) pdb2pka? ( sci-chemistry/apbs[python_single_target_python2_7(-)?,-mpi] ) dev-lang/swig:0 dev-util/scons[python_targets_python2_7] virtual/fortran
+DESCRIPTION=Automated pipeline for performing Poisson-Boltzmann electrostatics calculations
+EAPI=5
+HOMEPAGE=https://www.poissonboltzmann.org/
+IUSE=doc examples opal +pdb2pka +python_single_target_python2_7
+KEYWORDS=amd64 x86 ~amd64-linux ~x86-linux
+LICENSE=BSD
+RDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) python_single_target_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) sci-chemistry/openbabel-python[python_targets_python2_7(-)] opal? ( dev-python/zsi[python_targets_python2_7(-)] ) ) pdb2pka? ( sci-chemistry/apbs[python_single_target_python2_7(-)?,-mpi] ) virtual/fortran
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
+SLOT=0
+SRC_URI=https://github.com/Electrostatics/apbs-pdb2pqr/releases/download/pdb2pqr-1.9.0/pdb2pqr-src-1.9.0.tar.gz
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	fortran-2	216ce6fa0e81c0c91667aee598c792dd	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	scons-utils	7fa3bb47972ff4c5fa8004463ec6f023	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_md5_=164d685691a3a1181130afc0942f1d1e
diff --git a/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r2 b/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r3
index d27840827b2c..a403b1397947 100644
--- a/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r2
+++ b/metadata/md5-cache/sci-chemistry/prodecomp-3.0-r3
@@ -3,12 +3,12 @@ DEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] >=de
 DESCRIPTION=Decomposition-based analysis of NMR projections
 EAPI=5
 HOMEPAGE=http://www.lundberg.gu.se/nmr/software.php?program=PRODECOMP
-IUSE=examples +python_targets_python2_7 +python_single_target_python2_7
+IUSE=examples +python_single_target_python2_7
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=GPL-2
-RDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] >=dev-lang/python-exec-2:=[python_targets_python2_7] ) || ( sci-libs/scipy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] )
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+RDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] >=dev-lang/python-exec-2:=[python_targets_python2_7] ) python_single_target_python2_7? ( || ( sci-libs/scipy-python2[python_targets_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)] ) )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
 SLOT=0
 SRC_URI=mirror://gentoo/prodecomp-3.0.tar.bz2
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
-_md5_=36abf51f5ac59fc898a8f21dcd0e6533
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_md5_=57631c851f12fa821ecb7db673eeb431
diff --git a/metadata/md5-cache/sci-chemistry/propka-3.1_p140511 b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511
index c03c8ccc3a04..bba73067aa90 100644
--- a/metadata/md5-cache/sci-chemistry/propka-3.1_p140511
+++ b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511
@@ -11,5 +11,5 @@ REQUIRED_USE=|| ( python_targets_python2_7 )
 RESTRICT=mirror bindist
 SLOT=0
 SRC_URI=https://dev.gentoo.org/~jlec/distfiles/propka-3.1_p140511.tar.xz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	ltprune	2729691420b6deeda2a90b1f1183fb55	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
 _md5_=77a50416f48bdac3be53689262fbd770
diff --git a/metadata/md5-cache/sci-chemistry/pymol-2.3.0-r2 b/metadata/md5-cache/sci-chemistry/pymol-2.3.0-r2
index 21237b2484c4..cbfd92f9a9c5 100644
--- a/metadata/md5-cache/sci-chemistry/pymol-2.3.0-r2
+++ b/metadata/md5-cache/sci-chemistry/pymol-2.3.0-r2
@@ -7,10 +7,10 @@ HOMEPAGE=https://www.pymol.org/
 IUSE=web python_targets_python2_7
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos
 LICENSE=PSF-2.2
-RDEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) dev-python/pmw:py2[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/PyQt5[opengl,python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
+RDEPEND=dev-libs/msgpack[cxx] dev-libs/mmtf-cpp || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) dev-python/pmw:py2[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/pyopengl[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/PyQt5[opengl,python_targets_python2_7(-)?,-python_single_target_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] media-libs/freetype:2 media-libs/glew:0= media-libs/glm media-libs/libpng:0= media-video/mpeg-tools sys-libs/zlib !sci-chemistry/pymol-apbs-plugin[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] web? ( !dev-python/webpy[python_targets_python2_7(-)?,-python_single_target_python2_7(-)] ) sci-chemistry/chemical-mime-data python_targets_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_python2_7(-)?,-python_single_target_python2_7(-)]
 REQUIRED_USE=|| ( python_targets_python2_7 )
 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/v2.3.0.tar.gz -> pymol-2.3.0.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	c576838cd67e384002a18edd54be710e	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=0cb84fa002a73c1c823ac3354f9f8894
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	distutils-r1	24ad93542cf9d80a03d58784093b1d44	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multibuild	40fe59465edacd730c644ec2bc197809	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	python-r1	4eed5e0c72d4544a2291ae46515f5d79	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=a6fca3893524a3d6b5f4a8144828f179
diff --git a/metadata/md5-cache/sci-chemistry/relax-4.0.0-r3 b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r3
deleted file mode 100644
index fd467d29d52f..000000000000
--- a/metadata/md5-cache/sci-chemistry/relax-4.0.0-r3
+++ /dev/null
@@ -1,15 +0,0 @@
-DEFINED_PHASES=compile install prepare setup test
-DEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] || ( dev-python/matplotlib-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] || ( sci-libs/scipy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] media-gfx/pngcrush test? ( python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] || ( dev-python/matplotlib-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] || ( sci-libs/scipy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] ) dev-util/scons[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost )
-DESCRIPTION=Molecular dynamics by NMR data analysis
-EAPI=5
-HOMEPAGE=https://www.nmr-relax.com/
-IUSE=test +python_targets_python2_7 +python_single_target_python2_7 test
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
-LICENSE=GPL-2
-RDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) dev-python/Numdifftools[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] || ( dev-python/matplotlib-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/matplotlib[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) dev-python/wxpython:3.0[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-chemistry/molmol sci-chemistry/pymol[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-chemistry/vmd >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] || ( sci-libs/scipy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] sci-libs/scipy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X]
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
-RESTRICT=!test? ( test )
-SLOT=0
-SRC_URI=http://download.gna.org/relax/relax-4.0.0.src.tar.bz2
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	scons-utils	741000d14c0b59263aac3f3cf6e39909	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	virtualx	e49dbce7ac14426e1155497476915307	wxwidgets	e1e6e1eb5b3d911b3abd712f611e2312
-_md5_=048ab82d521a897d7e1993dceaad0ff0
diff --git a/metadata/md5-cache/sci-chemistry/relax-4.0.0-r4 b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r4
new file mode 100644
index 000000000000..6659b454c9b2
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/relax-4.0.0-r4
@@ -0,0 +1,15 @@
+DEFINED_PHASES=compile install prepare setup test
+DEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) python_single_target_python2_7? ( dev-python/Numdifftools[python_targets_python2_7(-)] || ( dev-python/matplotlib-python2[python_targets_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) dev-python/wxpython:3.0[python_targets_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)] >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)] || ( sci-libs/scipy-python2[python_targets_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)] ) ) sci-chemistry/molmol sci-chemistry/vmd sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] media-gfx/pngcrush test? ( python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) python_single_target_python2_7? ( dev-python/Numdifftools[python_targets_python2_7(-)] || ( dev-python/matplotlib-python2[python_targets_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) dev-python/wxpython:3.0[python_targets_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)] >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)] || ( sci-libs/scipy-python2[python_targets_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)] ) ) sci-chemistry/molmol sci-chemistry/vmd sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X] ) python_single_target_python2_7? ( dev-util/scons[python_targets_python2_7(-)] ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) test? ( !prefix? ( x11-base/xorg-server[xvfb] ) x11-apps/xhost )
+DESCRIPTION=Molecular dynamics by NMR data analysis
+EAPI=5
+HOMEPAGE=https://www.nmr-relax.com/
+IUSE=test +python_single_target_python2_7 test
+KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
+LICENSE=GPL-2
+RDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) python_single_target_python2_7? ( dev-python/Numdifftools[python_targets_python2_7(-)] || ( dev-python/matplotlib-python2[python_targets_python2_7(-)] dev-python/matplotlib[python_targets_python2_7(-)] ) || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) dev-python/wxpython:3.0[python_targets_python2_7(-)] sci-chemistry/pymol[python_targets_python2_7(-)] >=sci-libs/bmrblib-1.0.3[python_targets_python2_7(-)] >=sci-libs/minfx-1.0.11[python_targets_python2_7(-)] || ( sci-libs/scipy-python2[python_targets_python2_7(-)] sci-libs/scipy[python_targets_python2_7(-)] ) ) sci-chemistry/molmol sci-chemistry/vmd sci-visualization/grace sci-visualization/opendx x11-libs/wxGTK:3.0[X]
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
+RESTRICT=!test? ( test )
+SLOT=0
+SRC_URI=http://download.gna.org/relax/relax-4.0.0.src.tar.bz2
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	multiprocessing	cac3169468f893670dac3e7cb940e045	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	scons-utils	7fa3bb47972ff4c5fa8004463ec6f023	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf	virtualx	e49dbce7ac14426e1155497476915307	wxwidgets	e1e6e1eb5b3d911b3abd712f611e2312
+_md5_=b7876134df68b1653736ddda3439b644
diff --git a/metadata/md5-cache/sci-chemistry/sparky-3.115-r2 b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2
index 4a7a8e505f34..456c6c1e407d 100644
--- a/metadata/md5-cache/sci-chemistry/sparky-3.115-r2
+++ b/metadata/md5-cache/sci-chemistry/sparky-3.115-r2
@@ -3,13 +3,13 @@ DEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] >=de
 DESCRIPTION=Graphical NMR assignment and integration program for large polymers
 EAPI=6
 HOMEPAGE=http://www.cgl.ucsf.edu/home/sparky/
-IUSE=examples +python_targets_python2_7 +python_single_target_python2_7
+IUSE=examples +python_single_target_python2_7
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=sparky
 RDEPEND=python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk] >=dev-lang/python-exec-2:=[python_targets_python2_7] ) app-shells/tcsh dev-lang/tcl:0= dev-lang/tk:0=
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
 RESTRICT=mirror
 SLOT=0
 SRC_URI=http://www.cgl.ucsf.edu/home/sparky/distrib-3.115/sparky-source-3.115.tar.gz
-_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_eclasses_=desktop	b1d22ac8bdd4679ab79c71aca235009d	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
 _md5_=602d930dbfabc45f0336eb464eeadbdb
diff --git a/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3 b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3
index 770c2bf196c1..44e3b10b37da 100644
--- a/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3
+++ b/metadata/md5-cache/sci-chemistry/viewmol-2.4.1-r3
@@ -3,12 +3,12 @@ DEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-lib
 DESCRIPTION=Open-source graphical front end for computational chemistry programs
 EAPI=6
 HOMEPAGE=http://viewmol.sourceforge.net/
-IUSE=+python_targets_python2_7 +python_single_target_python2_7
+IUSE=+python_single_target_python2_7
 KEYWORDS=~amd64 ~x86
 LICENSE=GPL-2
 RDEPEND=media-libs/libpng:0= media-libs/tiff:0 virtual/glu virtual/opengl x11-libs/libX11 x11-libs/libXi x11-libs/libXmu x11-libs/libXt x11-libs/motif:0 python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7[tk(-)] >=dev-lang/python-exec-2:=[python_targets_python2_7] )
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
 SLOT=0
 SRC_URI=mirror://sourceforge/viewmol/viewmol-2.4.1.src.tgz
-_eclasses_=multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
+_eclasses_=multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
 _md5_=5c16e9f922010a805910e336d46f96ba
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.2 b/metadata/md5-cache/sci-chemistry/vmd-1.9.2
index 68d3eca5b39f..17365477b5ff 100644
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.2
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.2
@@ -1,15 +1,15 @@
 DEFINED_PHASES=compile configure install nofetch prepare setup
-DEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) virtual/pkgconfig dev-lang/swig
+DEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat python_single_target_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) virtual/pkgconfig dev-lang/swig
 DESCRIPTION=Visual Molecular Dynamics
 EAPI=5
 HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/
-IUSE=cuda gromacs msms povray sqlite tachyon xinerama +python_targets_python2_7 +python_single_target_python2_7
+IUSE=cuda gromacs msms povray sqlite tachyon xinerama +python_single_target_python2_7
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=vmd
-RDEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+RDEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat python_single_target_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama ) sci-biology/stride sci-chemistry/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
 RESTRICT=fetch
 SLOT=0
 SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.2-gentoo-patches.tar.xz vmd-1.9.2.src.tar.gz
-_eclasses_=cuda	bb861e5221b7272ac90c2f12791c1e66	desktop	b1d22ac8bdd4679ab79c71aca235009d	eapi7-ver	756b3f27d8e46131d5cf3c51bd876446	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
-_md5_=b0ea4f21d5cce0092c6b58ec9efe78f1
+_eclasses_=cuda	bb861e5221b7272ac90c2f12791c1e66	desktop	b1d22ac8bdd4679ab79c71aca235009d	eapi7-ver	756b3f27d8e46131d5cf3c51bd876446	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_md5_=78ca0fb129629adce2f719ca792bec7e
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.3 b/metadata/md5-cache/sci-chemistry/vmd-1.9.3
index 6dd4bb926722..745535edba20 100644
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.3
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.3
@@ -1,15 +1,15 @@
 DEFINED_PHASES=compile configure install nofetch prepare setup
-DEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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 ) virtual/pkgconfig dev-lang/swig
+DEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat python_single_target_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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 ) virtual/pkgconfig dev-lang/swig
 DESCRIPTION=Visual Molecular Dynamics
 EAPI=5
 HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/
-IUSE=cuda gromacs msms povray sqlite tachyon xinerama +python_targets_python2_7 +python_single_target_python2_7
+IUSE=cuda gromacs msms povray sqlite tachyon xinerama +python_single_target_python2_7
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=vmd
-RDEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+RDEPEND=>=dev-lang/tk-8.6.1 dev-lang/perl dev-libs/expat python_single_target_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
 RESTRICT=fetch
 SLOT=0
 SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.3-gentoo-patches.tar.xz vmd-1.9.3.src.tar
-_eclasses_=cuda	bb861e5221b7272ac90c2f12791c1e66	desktop	b1d22ac8bdd4679ab79c71aca235009d	eapi7-ver	756b3f27d8e46131d5cf3c51bd876446	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
-_md5_=2dec26546b06c0257c6e0ab428d0ec00
+_eclasses_=cuda	bb861e5221b7272ac90c2f12791c1e66	desktop	b1d22ac8bdd4679ab79c71aca235009d	eapi7-ver	756b3f27d8e46131d5cf3c51bd876446	epatch	a1bf4756dba418a7238f3be0cb010c54	estack	686eaab303305a908fd57b2fd7617800	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	ltprune	2729691420b6deeda2a90b1f1183fb55	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	preserve-libs	ef207dc62baddfddfd39a164d9797648	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	vcs-clean	2a0f74a496fa2b1552c4f3398258b7bf
+_md5_=d1e10c8bfb0324736061234f5c5cba97
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r1 b/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r1
index 8d01649831d5..4032c76a61e9 100644
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r1
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r1
@@ -1,16 +1,16 @@
 BDEPEND=virtual/pkgconfig dev-lang/swig
 DEFINED_PHASES=compile configure install nofetch prepare setup
-DEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama )
+DEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat python_single_target_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1:= ) gromacs? ( >=sci-chemistry/gromacs-5.0.4-r1:0=[tng] ) sqlite? ( dev-db/sqlite:3= ) tachyon? ( >=media-gfx/tachyon-0.99_beta6 ) xinerama? ( x11-libs/libXinerama )
 DESCRIPTION=Visual Molecular Dynamics
 EAPI=7
 HOMEPAGE=http://www.ks.uiuc.edu/Research/vmd/
-IUSE=cuda gromacs msms povray sqlite tachyon xinerama +python_targets_python2_7 +python_single_target_python2_7
+IUSE=cuda gromacs msms povray sqlite tachyon xinerama +python_single_target_python2_7
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
 LICENSE=vmd
-RDEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
-REQUIRED_USE=^^ ( python_single_target_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
+RDEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat python_single_target_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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/surf x11-terms/xterm msms? ( sci-chemistry/msms-bin ) povray? ( media-gfx/povray )
+REQUIRED_USE=^^ ( python_single_target_python2_7 )
 RESTRICT=fetch
 SLOT=0
 SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.3-gentoo-patches.tar.xz vmd-1.9.3.src.tar
-_eclasses_=cuda	bb861e5221b7272ac90c2f12791c1e66	desktop	b1d22ac8bdd4679ab79c71aca235009d	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
-_md5_=05c631fcc7fb55978a8053d979b91154
+_eclasses_=cuda	bb861e5221b7272ac90c2f12791c1e66	desktop	b1d22ac8bdd4679ab79c71aca235009d	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c
+_md5_=bf88bc8b1ce8870a84f794ca5b17274f
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r3 b/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r3
deleted file mode 100644
index 1b06522b902c..000000000000
--- a/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r3
+++ /dev/null
@@ -1,16 +0,0 @@
-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 || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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_targets_python2_7 +python_single_target_python2_7
-KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
-LICENSE=vmd
-RDEPEND=>=dev-lang/tk-8.6.1:0= dev-lang/perl dev-libs/expat || ( dev-python/numpy-python2[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] dev-python/numpy[python_targets_python2_7(-)?,-python_single_target_pypy3(-),-python_single_target_python3_6(-),-python_single_target_python3_7(-),-python_single_target_python3_8(-),python_single_target_python2_7(+)?] ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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_python2_7 ) python_single_target_python2_7? ( python_targets_python2_7 )
-RESTRICT=fetch
-SLOT=0
-SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.3-gentoo-patches.tar.xz vmd-1.9.3.src.tar
-_eclasses_=cuda	bb861e5221b7272ac90c2f12791c1e66	desktop	b1d22ac8bdd4679ab79c71aca235009d	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	python-single-r1	36ac48e647d2627de28c87aaffb94753	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
-_md5_=0f790c1e66cb6538d7075521e2942b68
diff --git a/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r4 b/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r4
new file mode 100644
index 000000000000..f3c34ea08d55
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/vmd-1.9.3-r4
@@ -0,0 +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_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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_python2_7
+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_python2_7? ( || ( dev-python/numpy-python2[python_targets_python2_7(-)] dev-python/numpy[python_targets_python2_7(-)] ) ) sci-libs/netcdf:0= virtual/opengl >=x11-libs/fltk-1.1.10-r2:1 x11-libs/libXft x11-libs/libXi python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 >=dev-lang/python-exec-2:=[python_targets_python2_7] ) 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_python2_7 )
+RESTRICT=fetch
+SLOT=0
+SRC_URI=https://dev.gentoo.org/~jlec/distfiles/vmd-1.9.3-gentoo-patches.tar.xz vmd-1.9.3.src.tar
+_eclasses_=cuda	bb861e5221b7272ac90c2f12791c1e66	desktop	b1d22ac8bdd4679ab79c71aca235009d	eutils	fcb2aa98e1948b835b5ae66ca52868c5	flag-o-matic	dc34234e8c43343da45853da22dcf14b	multilib	1d91b03d42ab6308b5f4f6b598ed110e	prefix	c2993e4c430c1ee24f278983d6189501	python-single-r1	fdfdbe462f245e931069310e892a8538	python-utils-r1	611c493a4cfef5254350fabc04b606f5	toolchain-funcs	512eb3367f507ebaa1d1d43ab7d66e6c	xdg	c7ba313ea1eaf266f95cc6235f7d6a07	xdg-utils	ff2ff954e6b17929574eee4efc5152ba
+_md5_=59aeef3d458f760731a594367e214c61