14 files changed, 48 insertions, 22 deletions
diff --git a/metadata/md5-cache/sci-chemistry/Manifest.gz b/metadata/md5-cache/sci-chemistry/Manifest.gz
index 8b3144fa33ba..3660746d40d2 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/gromacs-2018.9999 b/metadata/md5-cache/sci-chemistry/gromacs-2018.9999
new file mode 100644
index 000000000000..2f15f90f53b8
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2018.9999
@@ -0,0 +1,12 @@
+DEFINED_PHASES=compile configure install postinst prepare pretend test unpack
+DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.7.2 >=dev-vcs/git-1.8.2.1
+DESCRIPTION=The ultimate molecular dynamics simulation package
+EAPI=6
+HOMEPAGE=http://www.gromacs.org/
+IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack 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
+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-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack )
+SLOT=0/2018.9999
+_eclasses_=bash-completion-r1	8e447753aaf658afa609fbf961d80ab7	cmake-utils	f9fb12e2dbe2e0c9c17f030bae85eb02	cuda	626969678b9c5735753d8a380c6f295b	desktop	2ccd1dd1dd7bfb8795eea024a4f91bb6	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	97ce9decef1ff4b6c5be700283f67343	flag-o-matic	a6089a2a4027ae3da4a460dc87b21050	git-r3	fec09a83ae965b041b47f5ff7c8ba29a	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	6f5991c7101863d0b29df63990ad852e	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	readme.gentoo-r1	6f03e110529650f57fc7d1fb908b8986	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=19ce149cec8b7da6545d6175fa517c2f
diff --git a/metadata/md5-cache/sci-chemistry/gromacs-2018_beta1 b/metadata/md5-cache/sci-chemistry/gromacs-2018_beta1
new file mode 100644
index 000000000000..26a7058f7e15
--- /dev/null
+++ b/metadata/md5-cache/sci-chemistry/gromacs-2018_beta1
@@ -0,0 +1,14 @@
+DEFINED_PHASES=compile configure install postinst prepare pretend test unpack
+DEPEND=X? ( x11-libs/libX11 x11-libs/libSM x11-libs/libICE ) blas? ( virtual/blas ) cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi ) virtual/pkgconfig doc? ( app-doc/doxygen dev-texlive/texlive-latex dev-texlive/texlive-latexextra media-gfx/imagemagick ) dev-util/ninja >=dev-util/cmake-3.7.2
+DESCRIPTION=The ultimate molecular dynamics simulation package
+EAPI=6
+HOMEPAGE=http://www.gromacs.org/
+IUSE=X blas cuda +doc -double-precision +fftw +hwloc lapack mkl mpi +offensive opencl openmp +single-precision test +threads +tng cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2
+KEYWORDS=~alpha ~amd64 ~arm ~ppc64 ~sparc ~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-4.2.9-r1 ) opencl? ( virtual/opencl ) fftw? ( sci-libs/fftw:3.0 ) hwloc? ( sys-apps/hwloc ) lapack? ( virtual/lapack ) mkl? ( sci-libs/mkl ) mpi? ( virtual/mpi )
+REQUIRED_USE=|| ( single-precision double-precision ) cuda? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack )
+SLOT=0/2018_beta1
+SRC_URI=ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018-beta1.tar.gz test? ( http://gerrit.gromacs.org/download/regressiontests-2018-beta1.tar.gz )
+_eclasses_=bash-completion-r1	8e447753aaf658afa609fbf961d80ab7	cmake-utils	f9fb12e2dbe2e0c9c17f030bae85eb02	cuda	626969678b9c5735753d8a380c6f295b	desktop	2ccd1dd1dd7bfb8795eea024a4f91bb6	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	97ce9decef1ff4b6c5be700283f67343	flag-o-matic	a6089a2a4027ae3da4a460dc87b21050	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	6f5991c7101863d0b29df63990ad852e	ninja-utils	ebb2eaddc6331c4fa000b8eb8f6fe074	readme.gentoo-r1	6f03e110529650f57fc7d1fb908b8986	toolchain-funcs	185a06792159ca143528e7010368e8af	versionator	c80ccf29e90adea7c5cae94b42eb76d0	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
+_md5_=82669d558935beb971ab267ace7aff33
diff --git a/metadata/md5-cache/sci-chemistry/gsim-21.3 b/metadata/md5-cache/sci-chemistry/gsim-21.3
index 759dcff29207..19d93d69e844 100644
--- a/metadata/md5-cache/sci-chemistry/gsim-21.3
+++ b/metadata/md5-cache/sci-chemistry/gsim-21.3
@@ -1,6 +1,6 @@
 DEFINED_PHASES=compile configure install prepare unpack
 DEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit virtual/blas dev-qt/qtsvg:4 emf? ( media-libs/libemf ) opengl? ( dev-qt/qtopengl:4 ) virtual/pkgconfig
-DESCRIPTION=Programm for visualisation and processing of experimental and simulated NMR spectra
+DESCRIPTION=Visualisation and processing of experimental and simulated NMR spectra
 EAPI=5
 HOMEPAGE=https://sourceforge.net/projects/gsim/
 IUSE=emf opengl
@@ -10,4 +10,4 @@ RDEPEND=dev-cpp/muParser media-libs/freetype sci-libs/libcmatrix sci-libs/minuit
 SLOT=0
 SRC_URI=mirror://sourceforge/gsim/gsim-21.3.tar.gz
 _eclasses_=base	983774947da124fb7d542ce25a218bb1	desktop	2ccd1dd1dd7bfb8795eea024a4f91bb6	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	97ce9decef1ff4b6c5be700283f67343	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	qmake-utils	990448b067cb3cfe1443bc25fb57239c	qt4-r2	b7985a3197fbc3a22d059f19904e735b	toolchain-funcs	185a06792159ca143528e7010368e8af
-_md5_=952b237476b1e3b1d25e73077cf5ea4f
+_md5_=8b4d9903ad01081c70ba10643f5542c2
diff --git a/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2 b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2
index ed9a6fa4be02..a8df443ea8d9 100644
--- a/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2
+++ b/metadata/md5-cache/sci-chemistry/molscript-2.1.2-r2
@@ -1,6 +1,6 @@
 DEFINED_PHASES=compile install nofetch prepare
 DEPEND=media-libs/freeglut media-libs/gd:2= media-libs/libpng:0= virtual/jpeg:0= || ( x11-libs/libXmu x11-libs/libXext x11-libs/libX11 )
-DESCRIPTION=Display molecular 3D structures, such as proteins, in both schematic and detailed representations
+DESCRIPTION=Display 3D molecules (e.g., proteins) in schematic and detailed representations
 EAPI=5
 HOMEPAGE=http://www.avatar.se/molscript/
 KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
@@ -10,4 +10,4 @@ RESTRICT=fetch
 SLOT=0
 SRC_URI=molscript-2.1.2.tar.gz
 _eclasses_=desktop	2ccd1dd1dd7bfb8795eea024a4f91bb6	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	97ce9decef1ff4b6c5be700283f67343	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
-_md5_=eb0013ea21e1b6460673297657b6c433
+_md5_=c1991e872be752de44194c5a181e2c17
diff --git a/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1 b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1
index 88440e2ee383..a1445c85c406 100644
--- a/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1
+++ b/metadata/md5-cache/sci-chemistry/msms-bin-2.6.1-r1
@@ -1,5 +1,5 @@
 DEFINED_PHASES=install nofetch
-DESCRIPTION=MSMS allows to compute very efficiently triangulations of Solvent Excluded Surfaces
+DESCRIPTION=MSMS very efficiently computes triangulations of Solvent Excluded Surfaces
 EAPI=4
 HOMEPAGE=http://mgl.scripps.edu/people/sanner/html/msms_home.html
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
@@ -7,4 +7,4 @@ LICENSE=MSMS
 RESTRICT=fetch
 SLOT=0
 SRC_URI=amd64? ( msms_i86_64Linux2_2.6.1.tar.gz ) x86? ( msms_i86Linux2_2.6.1.tar.gz )
-_md5_=3bed25085e21d3be0ead51b25101c70b
+_md5_=c43ab98fd504ae15a5c6f4c778ac6daf
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 bac05d02bb1e..a95afee35b8a 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
@@ -1,6 +1,6 @@
 DEFINED_PHASES=compile install prepare setup
 DEPEND=python_single_target_pypy? ( >=virtual/pypy-5:0= ) python_single_target_python2_7? ( >=dev-lang/python-2.7.5-r2:2.7 ) >=dev-lang/python-exec-2:=[python_targets_pypy(-)?,python_targets_python2_7(-)?,-python_single_target_jython2_7(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_pypy(+)?,python_single_target_python2_7(+)?] virtual/fortran
-DESCRIPTION=Tools for manipulating and doing calculations on wwPDB macromolecule structure files
+DESCRIPTION=Tools for manipulating and calculations on wwPDB macromolecule structure files
 EAPI=5
 HOMEPAGE=https://github.com/harmslab/pdbtools
 IUSE=python_targets_pypy python_targets_python2_7 python_single_target_pypy python_single_target_python2_7
@@ -11,4 +11,4 @@ REQUIRED_USE=^^ ( python_single_target_pypy python_single_target_python2_7 ) pyt
 SLOT=0
 SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz
 _eclasses_=desktop	2ccd1dd1dd7bfb8795eea024a4f91bb6	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	97ce9decef1ff4b6c5be700283f67343	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
-_md5_=1351edf19d2820e89574c5ff43489439
+_md5_=65e79ac4a3cfe79480b4076c8296ae6d
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 1c0ee81b63b4..8fcc574fa7e1 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
@@ -1,6 +1,6 @@
 DEFINED_PHASES=compile install prepare setup
 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_jython2_7(-),-python_single_target_pypy(-),-python_single_target_pypy3(-),-python_single_target_python3_4(-),-python_single_target_python3_5(-),-python_single_target_python3_6(-),python_single_target_python2_7(+)] virtual/fortran
-DESCRIPTION=Tools for manipulating and doing calculations on wwPDB macromolecule structure files
+DESCRIPTION=Tools for manipulating and calculations on wwPDB macromolecule structure files
 EAPI=5
 HOMEPAGE=https://github.com/harmslab/pdbtools
 IUSE=python_targets_python2_7
@@ -11,4 +11,4 @@ REQUIRED_USE=python_targets_python2_7
 SLOT=0
 SRC_URI=https://pdb-tools.googlecode.com/files/pdbTools_0.2.1.tar.gz
 _eclasses_=desktop	2ccd1dd1dd7bfb8795eea024a4f91bb6	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	97ce9decef1ff4b6c5be700283f67343	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	python-single-r1	317a2557b4d7319a7418225f65accf77	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af
-_md5_=f9f71182abfaac381b3fc033e7a068f5
+_md5_=6829f5fae8d0bf0ffdef84abe46217bb
diff --git a/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1 b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1
index 9322149a9eeb..2559d31ca2e3 100644
--- a/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1
+++ b/metadata/md5-cache/sci-chemistry/pdb2pqr-1.9.0-r1
@@ -1,6 +1,6 @@
 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[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 virtual/fortran
-DESCRIPTION=An automated pipeline for performing Poisson-Boltzmann electrostatics calculations
+DESCRIPTION=Automated pipeline for performing Poisson-Boltzmann electrostatics calculations
 EAPI=5
 HOMEPAGE=http://www.poissonboltzmann.org/
 IUSE=doc examples opal +pdb2pka python_targets_python2_7
@@ -11,4 +11,4 @@ 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	2ccd1dd1dd7bfb8795eea024a4f91bb6	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	97ce9decef1ff4b6c5be700283f67343	flag-o-matic	a6089a2a4027ae3da4a460dc87b21050	fortran-2	9e7f20c99213f0627ff7f873d4aaa25d	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	6f5991c7101863d0b29df63990ad852e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	scons-utils	fcace052aef60e6b0eb3023c26aa585a	toolchain-funcs	185a06792159ca143528e7010368e8af
-_md5_=277a039f856ae0c68d6abceb12d4badc
+_md5_=787e26e15fbbe6ccc3debd3915e303dc
diff --git a/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504 b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504
index 9c683bfa0359..c86bbcb16707 100644
--- a/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504
+++ b/metadata/md5-cache/sci-chemistry/pdbcns-2.0.010504
@@ -1,5 +1,5 @@
 DEFINED_PHASES=install
-DESCRIPTION=Convert atom names for common amino acids and nucleic acid bases from PDB format to CNS or back
+DESCRIPTION=Convert atom names for amino acids/nucleic acid bases between PDB and CNS format
 EAPI=4
 HOMEPAGE=http://www.mybiosoftware.com/3d-molecular-model/314/
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
@@ -7,4 +7,4 @@ LICENSE=BSD
 RDEPEND=dev-lang/perl
 SLOT=0
 SRC_URI=https://dev.gentoo.org/~jlec/distfiles/pdbcns.2.0.010504.perl.tgz
-_md5_=f167b7636f3008d03c5b5a4fa27d414e
+_md5_=89c30d46542bd1560e7c844043f6096c
diff --git a/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1 b/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1
index 4effb4f82fc0..49816abdda1b 100644
--- a/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1
+++ b/metadata/md5-cache/sci-chemistry/prekin-6.51.081122-r1
@@ -1,6 +1,6 @@
 DEFINED_PHASES=compile install prepare
 DEPEND=x11-libs/libXext x11-libs/libXmu x11-libs/libX11 x11-libs/libXt X? ( >=x11-libs/motif-2.3:0 )
-DESCRIPTION=Prepares molecular kinemages (input files for Mage & KiNG) from PDB-format coordinate files
+DESCRIPTION=Prepares molecular kinemages from PDB-format coordinate files
 EAPI=2
 HOMEPAGE=http://kinemage.biochem.duke.edu/software/prekin.php
 IUSE=X
@@ -10,4 +10,4 @@ RDEPEND=x11-libs/libXext x11-libs/libXmu x11-libs/libX11 x11-libs/libXt X? ( >=x
 SLOT=0
 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/prekin/prekin.6.51.081122.src.tgz
 _eclasses_=desktop	2ccd1dd1dd7bfb8795eea024a4f91bb6	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	97ce9decef1ff4b6c5be700283f67343	ltprune	2770eed66a9b8ef944714cd0e968182e	multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
-_md5_=74da56bfd665dc0e2e02f09683a31550
+_md5_=b00f4c87d6c7171e4ba9e2ca6780b506
diff --git a/metadata/md5-cache/sci-chemistry/propka-3.1_p140511 b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511
index 702a6576a73b..0ce95470c991 100644
--- a/metadata/md5-cache/sci-chemistry/propka-3.1_p140511
+++ b/metadata/md5-cache/sci-chemistry/propka-3.1_p140511
@@ -1,6 +1,6 @@
 DEFINED_PHASES=compile configure install prepare test
 DEPEND=dev-python/setuptools[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(-)]
-DESCRIPTION=Prediction of the pKa values of ionizable groups in proteins and protein-ligand complexes
+DESCRIPTION=pKa-value prediction of ionizable groups in protein and protein-ligand complexes
 EAPI=5
 HOMEPAGE=http://propka.ki.ku.dk/
 IUSE=python_targets_python2_7
@@ -12,4 +12,4 @@ RESTRICT=mirror bindist
 SLOT=0
 SRC_URI=https://dev.gentoo.org/~jlec/distfiles/propka-3.1_p140511.tar.xz
 _eclasses_=desktop	2ccd1dd1dd7bfb8795eea024a4f91bb6	distutils-r1	372bbe39047c0a2550319a3a82f3e063	epatch	8233751dc5105a6ae8fcd86ce2bb0247	estack	43ddf5aaffa7a8d0482df54d25a66a1f	eutils	97ce9decef1ff4b6c5be700283f67343	ltprune	2770eed66a9b8ef944714cd0e968182e	multibuild	72647e255187a1fadc81097b3657e5c3	multilib	97f470f374f2e94ccab04a2fb21d811e	multiprocessing	6f5991c7101863d0b29df63990ad852e	python-r1	e9350ec46bb5c9f3504b4fbe8b8d8987	python-utils-r1	c9de01becf9df3f8c10aeec3dc693f5d	toolchain-funcs	185a06792159ca143528e7010368e8af	xdg-utils	f2c8335407f0b935b0a96d4adf23ef25
-_md5_=ebb8e38b8268a314f0aedc878dc74b59
+_md5_=77a50416f48bdac3be53689262fbd770
diff --git a/metadata/md5-cache/sci-chemistry/shelx-20141228 b/metadata/md5-cache/sci-chemistry/shelx-20141228
index 5d7b51cf6f2c..b71ccc3b10ab 100644
--- a/metadata/md5-cache/sci-chemistry/shelx-20141228
+++ b/metadata/md5-cache/sci-chemistry/shelx-20141228
@@ -1,5 +1,5 @@
 DEFINED_PHASES=install nofetch
-DESCRIPTION=Programs for crystal structure determination from single-crystal diffraction data
+DESCRIPTION=Crystal structure determination from single-crystal diffraction data
 EAPI=5
 HOMEPAGE=http://shelx.uni-ac.gwdg.de/SHELX/
 KEYWORDS=amd64 ppc x86 ~amd64-linux ~x86-linux
@@ -7,4 +7,4 @@ LICENSE=free-noncomm
 RESTRICT=fetch
 SLOT=0
 SRC_URI=amd64? ( anode_amd64.bz2 ciftab_amd64.bz2 shelxc_amd64.bz2 shelxd_amd64.bz2 shelxe_amd64.bz2 shelxl_amd64.bz2 shelxs_amd64.bz2 shelxt_amd64.bz2 shredcif_amd64.bz2 ) x86? ( anode_x86.bz2 ciftab_x86.bz2 shelxc_x86.bz2 shelxd_x86.bz2 shelxe_x86.bz2 shelxl_x86.bz2 shelxs_x86.bz2 shelxt_x86.bz2 shredcif_x86.bz2 )
-_md5_=b66443b048e30f88389ac6ad4c1ca172
+_md5_=b169253fd8af7308865dff74b5225d8f
diff --git a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628 b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628
index b62102b3dcad..455fc88379d5 100644
--- a/metadata/md5-cache/sci-chemistry/suitename-0.3.070628
+++ b/metadata/md5-cache/sci-chemistry/suitename-0.3.070628
@@ -1,5 +1,5 @@
 DEFINED_PHASES=compile install prepare
-DESCRIPTION=The ROC RNA Ontology Consortium consensus RNA backbone nomenclature and conformer-list development
+DESCRIPTION=The ROC RNA Ontology nomenclature and conformer-list development
 EAPI=4
 HOMEPAGE=http://kinemage.biochem.duke.edu/software/suitename.php
 KEYWORDS=~amd64 ~x86 ~amd64-linux ~x86-linux
@@ -7,4 +7,4 @@ LICENSE=richardson
 SLOT=0
 SRC_URI=http://kinemage.biochem.duke.edu/downloads/software/suitename/suitename.0.3.070628.src.tgz
 _eclasses_=multilib	97f470f374f2e94ccab04a2fb21d811e	toolchain-funcs	185a06792159ca143528e7010368e8af
-_md5_=f3751bdbdbce7b48ea8c66ac68009342
+_md5_=23e3046482e340a86f5452a8901c8c44