gentoo resync : 13.06.2020

18 files changed, 97 insertions, 90 deletions

diff --git a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.0.ebuild b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.0.ebuild
index b80d49a156d5..b1ef5b96a7f5 100644
--- a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.0.ebuild
+++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.0.ebuild
@@ -30,5 +30,14 @@ BDEPEND="
 	dev-python/six[${PYTHON_USEDEP}]
 	dev-python/numpy[${PYTHON_USEDEP}]
 	dev-python/matplotlib[${PYTHON_USEDEP}]
-	sci-libs/numkit[${PYTHON_USEDEP}]"
+	sci-libs/numkit[${PYTHON_USEDEP}]
+	test? ( >=dev-python/pandas-0.17[${PYTHON_USEDEP}] )
+"
 RDEPEND="${DEPEND}"
+
+distutils_enable_tests pytest
+
+PATCHES=(
+	# https://github.com/Becksteinlab/GromacsWrapper/issues/182
+	"${FILESDIR}"/${P}-tests-package.patch
+)
diff --git a/sci-chemistry/GromacsWrapper/Manifest b/sci-chemistry/GromacsWrapper/Manifest
index a32e2fcfe299..eb977dabdc95 100644
--- a/sci-chemistry/GromacsWrapper/Manifest
+++ b/sci-chemistry/GromacsWrapper/Manifest
@@ -1,3 +1,4 @@
+AUX GromacsWrapper-0.8.0-tests-package.patch 594 BLAKE2B 6b2c7c1aebebfbb5222c84e67805806aae714b8c96cbaad568b7ecb2959e38d504ea5a18a1de4bfcbfeea4488b04182d1cdbd0664511bfeb3cae2bd27534e8f7 SHA512 92b0232092ee9230050c114906ea61136d03de7b417d7267ef194c751bc801ab6f35d882681c36bb28949cddbea5e3c1c413df6ec949a073fcccd59b5433fefa
 DIST GromacsWrapper-0.8.0.tar.gz 1205837 BLAKE2B 3627e56df0dc6ba86caac67795416c7c8c187aaa4fac545600d17dcd799cb153feaab61a0f0632e051c4e9c0b4cd74f8e165156873e36bc53571bec78e5fca61 SHA512 da7215216c9a2b52094bb7e43e04f1b429c4893ba67b4bd850fe68e99f338813392fd9d0aa1b19d3398c694be964bc2badbf1b3623420da929ee4abcef18026f
-EBUILD GromacsWrapper-0.8.0.ebuild 805 BLAKE2B c9da6368860e869a1f04ffc41397fb2992f8dbe28853bcab466d695efaedd7dae686d52f66e31433d39b643e1cddb693f39006991eb4eefd26819268f272d6c5 SHA512 e073d97ecb08684ef9b2631cca3693708ea291e2bb423930eeea31f8107e03b466ce8cd3321bea1faf12665572af2ceb070edeed3cbc789aac69ea6b5a043bdb
+EBUILD GromacsWrapper-0.8.0.ebuild 1005 BLAKE2B 22614a2f5ad1dcb8620062bbde91237e0c137f86f6868d90f2bd7dd1d45e4e3e6a31cb6dee86d14fadff3170d8bad2d629210290809343efcaedc40454bf2fff SHA512 34a182a20c407e8cf78344d813e9129bb175941c0513f86cbc66fbea5cd5e3bc53c8a0cdd6ebea0ef24fb3cbdd52b1f0ada94ed50de1bf30d831ca63c392e481
 MISC metadata.xml 482 BLAKE2B 2745b575ac325e9f8c53d53026ca0c67201f1519725c572813c0ad281b4a39399cbf93176e816646aa83f829c0981ee4457e3ab2232ed095f76d5a2068840912 SHA512 4f2efb8d263f20e50928e0c6f0913c65da746b5253a14658273c830b7f95ecc15620f92e87db9670adfd92792e96cc352af528ed4fa1e874977a744d2e15c6bf
diff --git a/sci-chemistry/GromacsWrapper/files/GromacsWrapper-0.8.0-tests-package.patch b/sci-chemistry/GromacsWrapper/files/GromacsWrapper-0.8.0-tests-package.patch
new file mode 100644
index 000000000000..ee28e09e7741
--- /dev/null
+++ b/sci-chemistry/GromacsWrapper/files/GromacsWrapper-0.8.0-tests-package.patch
@@ -0,0 +1,11 @@
+--- a/setup.py.old	2020-06-06 21:50:25.432740405 +0200
++++ b/setup.py	2020-06-06 21:50:43.109010442 +0200
+@@ -35,7 +35,7 @@
+                    'Topic :: Scientific/Engineering :: Chemistry',
+                    'Topic :: Software Development :: Libraries :: Python Modules',
+                    ],
+-      packages=find_packages(exclude=['tests','scripts','extras','doc/examples']),
++      packages=find_packages(exclude=['tests','tests.*','scripts','extras','doc/examples']),
+       scripts = [
+                  'scripts/gw-join_parts.py',
+                  'scripts/gw-merge_topologies.py',
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index b1ed48d86c91..96b19b9dbf0a 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index 6474026f3896..95508ed47981 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1,3 +1,6 @@
+AUX chemex-2018.10.2-tests-package.patch 418 BLAKE2B 7547e44f73bba8f48dda46e1867cff75a4343b26732b59b011470a7a8143bc0b17c7a7f87d97672239b679406fc54662d68f04e2b1548adddd723ecced954205 SHA512 5e3c58ab4ba271672381308177c462e0813a2e43ced602090b527d99be3e3f38f53f822cfe62ed8f841a16f4c04a933f4ed08d2e71c04777745298e3354bfb4a
 DIST chemex-0.6.1.tar.gz 1449216 BLAKE2B 6b7f7597b09cd43b9bec89b6359d1f650fdd7d4f3a373e706da80dafaf438417458f34af6bc378442b5b4a84cb8222103ebc8026c85583e8dece3fad0dc77204 SHA512 40f538ef9c162759c7a6863886da8d46746ac362fc19154f0a5f3dd8703f7fea7397c3f34092c86dbce486c452e0d3b09a76e4c11ae119834d7ca4912e7f3fdf
+DIST chemex-2018.10.2.tar.gz 546575 BLAKE2B c36ae3bc152459844633276ab286b6f750ed5b2538c4289ceb75de9a081ad74fe346a79357fd6fc2f8972722b3520473262c4d623e46d6a4b30395962164a51f SHA512 f8ed017c0881ea9188e150456827e2c6302bdfe546c8058bd0261e43d941fbd1ac9e6abf1621d82107a4f6bd4e9aa4bc70c46e42dc98eabf2dba45a4fa78f77e
 EBUILD chemex-0.6.1-r3.ebuild 1037 BLAKE2B 8d1d5ed8e4aea24247816a7db54644e421e720cc86e469abc62b3f0c61ad1b3178ecd6ab6318d0419f1e6d27796526f42c68f95574d65594c681142f64f71cd9 SHA512 5d0b85517336e7c47de49a0f5cc061c4eb46e6b6f02eff6d964e467cef78d19077635140d0150ad3cec698d5e98d1fae4abebcce834e1b31b485fe3b52efa75e
+EBUILD chemex-2018.10.2.ebuild 1155 BLAKE2B caf445596bf98c1b0fccaf1c894c23937fb2087d149254ff07bf1cd4d4c47acd4526f733f6c86739cb6206a73bf98b9b8f34fc074ed9d7d3f5ddb0551c34d8bc SHA512 c330644a70739efd68293d0cb9295bd3bae0635747fd402ab1b9ebd1d18e239f88eeadd95209e2cd660c0d1151e31c7d4bbfea9ed3493888360fcec57f287724
 MISC metadata.xml 216 BLAKE2B 0fbfa16661345362ff89f87adc0bb42fc5f5c9145cdedb36f3f537b39af4023b91c4dfb0d8e83a4f9ac963141f594ba8ae678371c338d992a96e02c11fd84195 SHA512 628a69805356b7458edaa2297901224178b016477a937f77e692a78ce3e7a0b6d2d7b4c4b7e70d0185d7112e6a59a5131e07d8c950e90b9c8722471d7511afc6
diff --git a/sci-chemistry/chemex/chemex-2018.10.2.ebuild b/sci-chemistry/chemex/chemex-2018.10.2.ebuild
new file mode 100644
index 000000000000..99f888adb024
--- /dev/null
+++ b/sci-chemistry/chemex/chemex-2018.10.2.ebuild
@@ -0,0 +1,47 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+DISTUTILS_SINGLE_IMPL="yes"
+DISTUTILS_USE_SETUPTOOLS=rdepend
+PYTHON_COMPAT=( python3_{6..8} )
+
+inherit distutils-r1
+
+DESCRIPTION="Program to fit chemical exchange induced shift and relaxation data"
+HOMEPAGE="https://github.com/gbouvignies/chemex"
+SRC_URI="https://github.com/gbouvignies/chemex/archive/${PV}.tar.gz -> ${P}.tar.gz"
+
+SLOT="0"
+LICENSE="BSD"
+KEYWORDS="~amd64"
+IUSE="test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+	$(python_gen_cond_dep '
+		>=dev-python/asteval-0.9.11[${PYTHON_MULTI_USEDEP}]
+		>=dev-python/lmfit-0.9.11[${PYTHON_MULTI_USEDEP}]
+		>=dev-python/matplotlib-1.1[${PYTHON_MULTI_USEDEP}]
+		dev-python/numpy[${PYTHON_MULTI_USEDEP}]
+		dev-python/setuptools_scm[${PYTHON_MULTI_USEDEP}]
+		>=sci-libs/scipy-0.11[${PYTHON_MULTI_USEDEP}]
+	')
+"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}/ChemEx-${PV}"
+
+PATCHES=(
+	# https://github.com/gbouvignies/ChemEx/issues/44
+	"${FILESDIR}"/${P}-tests-package.patch
+)
+
+src_prepare() {
+	export SETUPTOOLS_SCM_PRETEND_VERSION="${PV}"
+	distutils-r1_src_prepare
+}
+
+python_test() {
+	py.test -v -v || die
+}
diff --git a/sci-chemistry/chemex/files/chemex-2018.10.2-tests-package.patch b/sci-chemistry/chemex/files/chemex-2018.10.2-tests-package.patch
new file mode 100644
index 000000000000..d743c969a925
--- /dev/null
+++ b/sci-chemistry/chemex/files/chemex-2018.10.2-tests-package.patch
@@ -0,0 +1,11 @@
+--- a/setup.py~	2019-03-12 21:45:04.000000000 +0100
++++ b/setup.py	2020-06-07 11:36:28.052241913 +0200
+@@ -21,7 +21,7 @@
+         "Programming Language :: Python :: 3.7",
+     ],
+     keywords="nmr protein dynamics chemical exchange cpmg cest relaxation data fitting",
+-    packages=find_packages(),
++    packages=find_packages(exclude=['tests']),
+     install_requires=[
+         "numpy>=1.0",
+         "scipy>=1.0",
diff --git a/sci-chemistry/mopac7/Manifest b/sci-chemistry/mopac7/Manifest
index 8ac390352af4..978cbe206d0a 100644
--- a/sci-chemistry/mopac7/Manifest
+++ b/sci-chemistry/mopac7/Manifest
@@ -2,6 +2,5 @@ AUX Makefile 458 BLAKE2B dab61e16f1382f173c1f46b8bf1331cd27c5f26ad0d4a6ad9b13f29
 DIST dcart.f 11044 BLAKE2B 7414804ecfab9a7cbddee664b85e6e2e8c1d8fe1e1f73d480dd1a387c5e349d26ec4ae1a37f27e38b7c051fcce2c1bdf77de12ec628298fd3edf79040a8a0c5a SHA512 788a184fd8419ff742e49c1a652d5ea093f9114dbe4f272665b8fb9eeac2afb7f7042628c288f2b81d0f54d8a7ef2f400490cd3aff39dda59a6d70a0deab5b80
 DIST gmxmop.f 38956 BLAKE2B e411feca5104e91ae8fd2008de61d18cc214beb3b2a7aa09a80269fb935e27ba1b1cb89fa30eedbfc4f6c4734c22d932e57d5905c175ae9f56c4affee7b0ca04 SHA512 38bb2e5749c4d3c8c24f15682f72e40cb4edb6517c7916cecee1d21675b1870c0fe331ba2ec40312408dec473141e7742d1e155d4b64f1c2a25bfa4e11885194
 DIST mopac7-1.15.tar.gz 764547 BLAKE2B 6e037862007221955d0ad65f3c002a3d2e461950a2bc0efac9d195cf1d9d856842d02bc380ce236c3d48f863a144875950f5c86f8f3ac936b8b098472f7f7a0d SHA512 e0ccd643caa6dbd7e156867530d79e50e10243f5e3b5f8bc57781e68e1daf26f2a0e6987fff00afe07eb0fcb98cbd9f01e4cfa5d20acc0d8ab3cca632968636e
-EBUILD mopac7-1.15-r1.ebuild 1817 BLAKE2B 2b3df9f719350adf9ee767fd99def28c0f63d8eda49253fbbd6c0d00c2c22109cefd45cf2d9f60bd2808f82c1d0840c3c43cc1cc698e1e0429214c3d16eedbf9 SHA512 f540feba5eacff866a1ead1d1d2cf81a5ac07759e2298010748cadb9c7b7cf1cbb869f38be3dfa4532e5b9c2aafafb90e57bf3c25a594998a2480a574a479fbf
-EBUILD mopac7-1.15.ebuild 2044 BLAKE2B c4fa6bd512e0006c179cd58a3584c1343d088b5ba95f434c133f145f26882711f47effdbe5fe6c3dad50e63d43a01d667ca934c427078bb5d6f083f9383cc7d5 SHA512 55135a37436fc479539a769b8d0dd7a604cf9fe522243fe5105b4eed6862efaa9c333ede5cdf87b58e49110d41e4d445e80de2c991d38b28529bb610666cc8c7
+EBUILD mopac7-1.15-r1.ebuild 1816 BLAKE2B 6fe72656e446e1ef3e6a4c543c6a8703e8965ba751e1934c6c4673806283dc7a4bf41d121cc6e7a756fb4e599006ea368f75e753b8a5ec97cda8680e76a5d3bc SHA512 5e75215a6e8d2f18b01bab66d28b754cb0a9406051b089ac4415bed12a2425d1a15a9387668e680e51f33d29b782619f48acd50bf440a83b8e4ea57d458a4cf7
 MISC metadata.xml 434 BLAKE2B 011dd4486a917b69a58d398027b3af606bae6a6ea2b470b2f3f3d15f64b6db46a8a77ae4a52d78249ac8917d1a25bcbbcb5af62bea6677c5d4b433e47e9a8356 SHA512 77b3e0b69436a4f199c5ae3d9382c9b6cf2049ffd98144a2dc291495de9e8daa9deb6141d77b917f6e29902ad862c9044e7661ca7f0ae5e4fc68983857b3f6f2
diff --git a/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild b/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild
index 1decbcf89b24..98848fcad10d 100644
--- a/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild
+++ b/sci-chemistry/mopac7/mopac7-1.15-r1.ebuild
@@ -14,7 +14,7 @@ SRC_URI="
 
 LICENSE="public-domain"
 SLOT="0"
-KEYWORDS="amd64 ppc ~x86 ~amd64-linux"
+KEYWORDS="amd64 ppc x86 ~amd64-linux"
 IUSE="gmxmopac7 static-libs"
 
 DEPEND="dev-libs/libf2c"
diff --git a/sci-chemistry/mopac7/mopac7-1.15.ebuild b/sci-chemistry/mopac7/mopac7-1.15.ebuild
deleted file mode 100644
index 9ee026f0d21b..000000000000
--- a/sci-chemistry/mopac7/mopac7-1.15.ebuild
+++ /dev/null
@@ -1,74 +0,0 @@
-# Copyright 1999-2014 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=4
-
-inherit autotools fortran-2 toolchain-funcs
-
-DESCRIPTION="Autotooled, updated version of a powerful, fast semi-empirical package"
-HOMEPAGE="https://sourceforge.net/projects/mopac7/"
-SRC_URI="
-	http://www.bioinformatics.org/ghemical/download/current/${P}.tar.gz
-	http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f
-	http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f"
-
-LICENSE="public-domain"
-SLOT="0"
-KEYWORDS="amd64 ppc x86 ~amd64-linux"
-IUSE="gmxmopac7 static-libs"
-
-DEPEND="dev-libs/libf2c"
-RDEPEND="${DEPEND}"
-
-src_prepare() {
-	# Install the executable
-	sed -i \
-		-e "s:noinst_PROGRAMS = mopac7:bin_PROGRAMS = mopac7:g" \
-		fortran/Makefile.am \
-		|| die "sed failed: install mopac7"
-	# Install the script to run the executable
-	sed -i \
-		-e "s:EXTRA_DIST = autogen.sh run_mopac7:bin_SCRIPTS = run_mopac7:g" \
-		Makefile.am \
-		|| die "sed failed: install run_mopac7"
-
-	eautoreconf
-}
-
-src_configure() {
-	#set -std=legacy -fno-automatic according to
-	#http://www.bioinformatics.org/pipermail/ghemical-devel/2008-August/000763.html
-	FFLAGS="${FFLAGS} -std=legacy -fno-automatic" econf
-}
-
-src_compile() {
-	emake
-	if use gmxmopac7; then
-		einfo "Making mopac7 lib for gromacs"
-		mkdir "${S}"/fortran/libgmxmopac7 && cd "${S}"/fortran/libgmxmopac7
-		cp -f ../SIZES ../*.f "${FILESDIR}"/Makefile . || die
-		emake clean
-		cp -f "${DISTDIR}"/gmxmop.f "${DISTDIR}"/dcart.f . || die
-		sed "s:GENTOOVERSION:${PV}:g" -i Makefile
-		emake FC=$(tc-getFC)
-		if use static-libs; then
-			emake static
-		fi
-	fi
-}
-
-src_install() {
-	# A correct fix would have a run_mopac7.in with @bindir@ that gets
-	# replaced by configure, and run_mopac7 added to AC_OUTPUT in configure.ac
-	sed -i "s:./fortran/mopac7:mopac7:g" run_mopac7
-
-	make DESTDIR="${D}" install || die
-	dodoc AUTHORS README ChangeLog
-	if use gmxmopac7; then
-		cd "${S}"/fortran/libgmxmopac7
-		dolib.so libgmxmopac7.so*
-		if use static-libs; then
-			dolib.a libgmxmopac7.a
-		fi
-	fi
-}
diff --git a/sci-chemistry/pymol/Manifest b/sci-chemistry/pymol/Manifest
index 1f4e55620fe5..fcffc5ef7882 100644
--- a/sci-chemistry/pymol/Manifest
+++ b/sci-chemistry/pymol/Manifest
@@ -1,5 +1,5 @@
 DIST pymol-1.8.4.0.png.xz 19528 BLAKE2B f3d23d4cedca3d8bb96b20646a548da4be570697e3346a11b01c5c3599b536ba4697be08472dfa8a4f6533167defc1a37a1de332931a73857319cb28fd42cd2b SHA512 40bb0d3f226476f6e047b5361956aad955232a97641474765eaa5204f0539aee3810e0266213618a45364f9f31f6eb18380b17e0c79f64065f7b62a9016caa7c
 DIST pymol-2.3.0.tar.gz 10448674 BLAKE2B 0d508587d880ce7f2e8a0481bf664e6bfe6eb1d68b0f48b9266cde756824bd8c0144d7243e958bbc5e571d60fca9dafff125d81a8a3d32107e78ad2ff8dffc05 SHA512 e1dcea1c97bcd9045d3543e92902f240e6affbf61a38e8d2a0be04309e3dbabfe1a869847d1423b3151008978d4c305bbf3ce994fc9d453c0063ce020100c133
 EBUILD pymol-2.3.0-r2.ebuild 3189 BLAKE2B b696daab150edc9c5b69e330f68d0a79bb825d39d69e6b149a90be7f12a3956525b91373f330e528178b2732b84b86f6e9ae1624c8cad48eb1580e81b4bde38a SHA512 4c4c4e94c768325728584e6c424e7c7d87e4daab291c0f6bad2c6f527645056d0b9b4fefc822543542f27431f51a1f1a6cda1ab7fb9136d0f44a11c6129060be
-EBUILD pymol-2.3.0-r3.ebuild 3003 BLAKE2B 8e629b5cd104f6fcf1ba885c59f41e4f9ccd564af9d2a6cd273eb5e1faf5af84b2d550dd7157e2f856788f8d96a7cc212aa8a84cfd4320a8500ac28f93b305f2 SHA512 c41a31a5123bdadeb8da8f6fb6ac0cbbc81ef3ecf49ecbbf3c8b4884c01f1bf1c04f63c0872aadca85adb831d8510ec0d7a41f18c0da923524c2380ec2d4d1e6
+EBUILD pymol-2.3.0-r3.ebuild 3005 BLAKE2B 697c52ef412f18a8088c82c6f71ef7b10ffb28201aaaf5b651cfad512ce1f3340f74292dc54e9005e5c153d50bf8d3c9de1df1a71516c5258b4a6256fc9b9429 SHA512 9f248137b6cd1c4a0233c83738597e42b43b65f1331c6a19a841a36719328996fc9902f599848d791963f41e65dc9f7c76f967dae26286488a49b5cfd13572d1
 MISC metadata.xml 439 BLAKE2B 68df7dfc8ca3d4d4b18b419532bade69491f2e9362f10ae2397c804132b7fc9cd08dcf9703c0a89c44588c570e0c0c1bb9bffb7394d51faf1283142dbc5f70b3 SHA512 f5a3eded9b12fa715ba2e6e10b41c75d9bd823ca0dd40acbffc3f5bfc4b36c687f720b1a4e119b4540a31faf849985778cbd72b0b2cd35af8c52ca0f808d71e4
diff --git a/sci-chemistry/pymol/pymol-2.3.0-r3.ebuild b/sci-chemistry/pymol/pymol-2.3.0-r3.ebuild
index 675c8b368801..58c0d6707c41 100644
--- a/sci-chemistry/pymol/pymol-2.3.0-r3.ebuild
+++ b/sci-chemistry/pymol/pymol-2.3.0-r3.ebuild
@@ -3,7 +3,7 @@
 
 EAPI=7
 
-PYTHON_COMPAT=( python3_{6,7} )
+PYTHON_COMPAT=( python3_{6,7,8} )
 
 inherit distutils-r1 desktop eutils flag-o-matic xdg-utils
 
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index 1c180a2cb5aa..fcf8a883ef5a 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -20,7 +20,7 @@ EBUILD votca-csg-1.4.1.ebuild 3204 BLAKE2B e447a6859d7ee4d722701f96634667529bd18
 EBUILD votca-csg-1.4.ebuild 3200 BLAKE2B 041deefd8fc208525c636d00665f7ea70d0efafb78fa98a3437823fb550e6c39a29d33e94860c3d8f01dbbdb050dd568c63dc1099d4da620f9044545850f40d1 SHA512 939608311d071b6abf8cc26dd73c9713c41476772bb37b41fc77fb3a02672989664b8a06e5465b2825285c3365ad3d70879e5c24a1c698cbb3c8ab6d2341fe31
 EBUILD votca-csg-1.5.1.ebuild 2552 BLAKE2B a64b31b3b6a9297b6ead93e9f5605ace929fecf98ee377eff17a0b529b9176fe5d251e9efb5dada1c7d29b144b7e89dcd95ff3c6921b7584f225f842bc93f94b SHA512 3d96fac05c344f0986597ec6ce50f07a19327113d3b02238df60ce28ab2788f91a224f9c70ecdaaf6cfe6206f00f8e86e4ad2dde1c68c5c0a32f5d20eee658cd
 EBUILD votca-csg-1.5.ebuild 2550 BLAKE2B 7fb2a4280fca23370169fbf04c3b9251065f06d56d7df29a26f3bbaf642e3296e400a23cc3c7524a830cee0dd881e598569c82bbcfacbec35198dd564d379828 SHA512 9516699dbfab66505053d701a31440ce0ca16484b6b0f60b072f6d5a54740449c90ea96461e08d598933dd7f7803278dbc4e19df381f5b57c541b9d3de90c9d5
-EBUILD votca-csg-1.6.ebuild 2362 BLAKE2B f3ebb73d4522cce0955e8dd2f3287641444c8a87fde1dc061df6248ff86d57b0e5d97f96cf0dc501d99aefded328db787b81a6d5be779a4b9a5a79d2491fa132 SHA512 0e1091a8c1f71efa1b23a49a1b0c486ccd61d5004bbe608a2987d3b43a3a59891acbfcdf6ebd69f603fcdecb16393d9694938946418ecbdc959b617a96bc87eb
+EBUILD votca-csg-1.6.ebuild 2365 BLAKE2B 585240513e8b06c9c35aab0dfb75962c59e2d42853837eaa67d86c728c5cd3d8485061a4974c71898caba41d6d44a1cf93ba27c16824427b767f965e8f9a07ab SHA512 38b6ff068367ac79717f9a364b2b6a83824cec0c804af934f15d3f19ca1cf50eddd8b94cc64c0b035724a6abca2f32a40ec598396c646f5a31c0ea0748bff976
 EBUILD votca-csg-1.6_rc1.ebuild 2358 BLAKE2B 5124239dade6f735c1f1da0071e30bf245728431a46f4361271d1eea9962249ff1bcc621db193f69ae04b61343aaafa01c64cfb4a131c6ce83b9135c5a7f39c5 SHA512 a8f2298c212299689a96d4a15e73b851725f45c6ad9fc20610a155625c5d58d1d462ba7c01fdd206fba8b43fe032b65f992ee58107e1245565cb482f8507d6ac
 EBUILD votca-csg-9999.ebuild 2358 BLAKE2B 5124239dade6f735c1f1da0071e30bf245728431a46f4361271d1eea9962249ff1bcc621db193f69ae04b61343aaafa01c64cfb4a131c6ce83b9135c5a7f39c5 SHA512 a8f2298c212299689a96d4a15e73b851725f45c6ad9fc20610a155625c5d58d1d462ba7c01fdd206fba8b43fe032b65f992ee58107e1245565cb482f8507d6ac
 MISC metadata.xml 676 BLAKE2B b3f2e43f5cb505876216b0a329410c9cef1b44a9bbd7e1c61faa4acd00dbe87ea0cebb00ed78dc00b9e1d2b08b95e3c40d25fecc0738c992a3f933e430f94e2b SHA512 14ecd498eeeed1576923d8da9bc5dc98e47c1d162173b7f2419ad367fa84e227555bd0365709be8a456dc5388ea6fa6734fa7df3c82fd4efcd1cf3460c7e12a1
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.ebuild
index 9bf490211948..4c670640b3d2 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.6.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.6.ebuild
@@ -13,12 +13,12 @@ if [ "${PV}" != "9999" ]; then
 	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
 		doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf )
 		examples? (	https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )"
-	KEYWORDS="amd64 ~x86 ~amd64-linux ~x86-macos"
+	KEYWORDS="amd64 x86 ~amd64-linux ~x86-macos"
 	S="${WORKDIR}/${P#votca-}"
 else
 	inherit git-r3
 	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="amd64"
+	KEYWORDS="amd64 x86"
 	PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
 fi
 
diff --git a/sci-chemistry/votca-csgapps/Manifest b/sci-chemistry/votca-csgapps/Manifest
index e2d09c71dd79..0725ec6c70d5 100644
--- a/sci-chemistry/votca-csgapps/Manifest
+++ b/sci-chemistry/votca-csgapps/Manifest
@@ -8,7 +8,7 @@ EBUILD votca-csgapps-1.4.1.ebuild 653 BLAKE2B 208ae3538fcf42296a4a1077d222a9d6f7
 EBUILD votca-csgapps-1.4.ebuild 649 BLAKE2B 4b219583f5d5a1f7f4ed7635b4fedce2619d6a0b13bcab7bde2f88cf177a9478fefcb71974deacc09eded4f278ae27c95bd2aa387c79ad4ae2268c2ff0f40a94 SHA512 b6400f2a28ce0c2953495c00aeaab0bfd15c52df28a5e6575b0f568c9a777678495b591cbce58fa61e1d54149fa3f684c6f9f99aaa82127e2eedcc67f6259ed8
 EBUILD votca-csgapps-1.5.1.ebuild 668 BLAKE2B c1a715dcf42281b13819c20b51fc0c16f0435059e4f1dcfe83babd15eda4dc179d50ffe4a6252cd3155aec9545f2e5fc3bba728e2a6f739097422f5c6d94f247 SHA512 23d3ed6be1ea715a367f6203c9431598068ec7b1494865e594a67bfc55bc0f65e86914ad04cff7eff5a9e83fb79cae46fb4abd7997752a1a72dd90a68e173f97
 EBUILD votca-csgapps-1.5.ebuild 666 BLAKE2B de904c4c69f9b223466bc97f646a861a5e1ff64d061389a1a1ac845e7351f9626226354c7c080d7a52ef5db2eddf397b2bf48ce042e168a881cb12da14338333 SHA512 e768e56d45d9e8b4ce2c01358b9de4b876a7a4149947445d388a4a1cffb6ac6882b17cdd794b17eee7abdb75d34c4e108f399c28fbca5ae0b11bbe5d57e07202
-EBUILD votca-csgapps-1.6.ebuild 669 BLAKE2B b24c7f6916662d353d3e12092910135e3636b2b1af3c71a3fce67b08d5e07163d9c92aa17c40651e551821ff607fef74b699e335d0617a8118acedc11c9a75d9 SHA512 ca0b60c3a9312b908fc1409fdc856bc50adb7044e3a6180b634b9c211d7000df22d804646d253219643e094f04142da0730558f625bb1bacb142f62bcfed9c4e
+EBUILD votca-csgapps-1.6.ebuild 672 BLAKE2B 2737abc16e6a06485fb9e542bd620f3ee1c9b63f4fde290558e0674a4cd2488162d917f8654c108080c9370c49fe027e60fe417d33bf6a6be5d14ebd667dfd4f SHA512 af87122c3f45b6003b314373e2a87035a37f6540221c01f31b40573a9ed9973bb9124f35342e601c9c0667db9ee60042b7aca5dbf495079518d5cf62961da852
 EBUILD votca-csgapps-1.6_rc1.ebuild 665 BLAKE2B 893814bcc1e8413a5c6454c32092aa51e3633f2917aedf47bc928c603554acf064a299208e9a1c8cf58437cebdee00f6d07fd30424540081ef3d0c7f2636d8d0 SHA512 a32d204985dd20ef8389cbfd44f6e45d44542480d0593ddaa17d5976e193db687f26d1e818251325c939552c7e9a1c1f95ec20ca952834cc4a4ca6c4836ea2b7
 EBUILD votca-csgapps-9999.ebuild 665 BLAKE2B 893814bcc1e8413a5c6454c32092aa51e3633f2917aedf47bc928c603554acf064a299208e9a1c8cf58437cebdee00f6d07fd30424540081ef3d0c7f2636d8d0 SHA512 a32d204985dd20ef8389cbfd44f6e45d44542480d0593ddaa17d5976e193db687f26d1e818251325c939552c7e9a1c1f95ec20ca952834cc4a4ca6c4836ea2b7
 MISC metadata.xml 457 BLAKE2B 9d392be6c061ebd3d975308065fcdec4ee061268f4b8b79e122b183d2e4f7259fdb9e165b8b3f030f1edbbc4f112757b1de7a50929ac112d5633143f9585699a SHA512 42a8ccad09d35dd4677b70005606582207747ae39d62a7ea75e2f5de28f887fee4265c8ae3b38e5cdb3017cc84c8902e2a525ae31fa5dd0aa00369e9b428f563
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
index 4ba5c5475010..c39800ede650 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
@@ -9,12 +9,12 @@ inherit cmake-utils
 
 if [ "${PV}" != "9999" ]; then
 	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="amd64 ~x86 ~amd64-linux ~x86-macos"
+	KEYWORDS="amd64 x86 ~amd64-linux ~x86-macos"
 	S="${WORKDIR}/${P#votca-}"
 else
 	inherit git-r3
 	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="amd64"
+	KEYWORDS="amd64 x86"
 fi
 
 DESCRIPTION="Extra applications for votca-csg"
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index 22ca06585de3..b03751e4b961 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -12,7 +12,7 @@ EBUILD votca-xtp-1.4.1.ebuild 1622 BLAKE2B 1358e16a21b653584fefdf8eb673744f18ba7
 EBUILD votca-xtp-1.4.ebuild 1618 BLAKE2B bab1c2d4cd442bc2208f87ff16ed1218aaf6c34ccb229c63d9de14086055684ee9440102b0c9a5bf807ddad69d22ee1b680120f493f18891e8719211509a418f SHA512 affe412a6c4cb8139530d559ae4c12d519eb6b9190075743ed7806c2975a4647f48282893d71b4bef3477b0d35ee07815e416c33095be819967d235c9623a48a
 EBUILD votca-xtp-1.5.1.ebuild 1628 BLAKE2B a89ea389a31edce013d2e41eca4a0a818fd3f0b359aa9e770ecf3e04089b99063106d8b20562b36ad83fdc318c6cc6ffc119a589d995db08175e704ff7ce53f1 SHA512 a90fd6523ef6d42af25b99509718511cf0303bef2e0b083b6e4e8cbb5160bf1cc802b0e60a682c7bd1301f5b17cbaf78c2d2e593d2528f9c24b5f6c3c1aa984f
 EBUILD votca-xtp-1.5.ebuild 1626 BLAKE2B 15b3e63d11348ac376e15769b6106c98144a0ce88bbc7149fcf98bede2f7a29ee4ea066cea67fadf14e60e6dbc6745de4bffa4cf11d6ce6f08d5631fad0af347 SHA512 ac39f8f262a40683ff267dd13ea17cdfb9bd3ba62d698e8e20c98ee1adce53bd002a10dd7805a4ba419ca80a4a3ffd0b3b5c8f9e4b040182eaa6ffd069df114e
-EBUILD votca-xtp-1.6.ebuild 985 BLAKE2B c6ea7437abcc76329adb154e4b44cea93ba995806adb256ca5202a5def1d93b6ea5e26d5b1e4dc448a2e0133ae61467e4dece925a72f606b2e9660c1d19f4353 SHA512 20fb591b48b726464c2a96938f65ad4e8583b8c258195e9ad86ea192bbb932322e514f014c8b5c9fb0dea49fcb0169efd10f2c9d4211e1336522d3ca25e13a1f
+EBUILD votca-xtp-1.6.ebuild 988 BLAKE2B a0829b922e31fe3e14c60422ebaff3e26da19320b78d22fcdf22de032d9983a98f019a2469ffe9807cc34585fc8655c5a5cc7f80e81c8547e95aa9e569e240c5 SHA512 7643ea1c4b2c123169f8c3a06c4d04e5bccb9070afe70bcbe8c935f956b78ce29c83223e9c54df8915164f0107ffec50b50a639ba0c4407f9cb3e70ee5f93023
 EBUILD votca-xtp-1.6_rc1.ebuild 981 BLAKE2B 029f87e4554e2d353b5ce31f3901b5d18ae56ae4165878066e93d2de5f4ff4c65b9532be077127ec4e605b22ff0c765b841a6f9978cc7e503e50554b0e7ff7b7 SHA512 e2d58abe5b8f8d6b3e2a696a0b0a0f7b27f0af4a88d00d2fc59053dbccd9b7fa840579a5bc3b854bcdf3ce9266d10bacd962d4bada0b5ed325e0074c2d873d3d
 EBUILD votca-xtp-9999.ebuild 981 BLAKE2B 029f87e4554e2d353b5ce31f3901b5d18ae56ae4165878066e93d2de5f4ff4c65b9532be077127ec4e605b22ff0c765b841a6f9978cc7e503e50554b0e7ff7b7 SHA512 e2d58abe5b8f8d6b3e2a696a0b0a0f7b27f0af4a88d00d2fc59053dbccd9b7fa840579a5bc3b854bcdf3ce9266d10bacd962d4bada0b5ed325e0074c2d873d3d
 MISC metadata.xml 453 BLAKE2B 51ee11d9c55f15fd0382a7c422d1c12364901a5ac257f57d04b91b8ca77acf9c1eb709879bfc6042b577961352cbc4e31b01ece3a8c650eaffa9b4ebc6d385fb SHA512 892c8f84df6bd19e969b372def9a485be9121d8f7ab410b532529980298e57d0705f73fac409d8f251449cf2119dd3f28133e08d21d0e73b27d5ec0e9a3f205e
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
index cf0e82016729..08dd38193e01 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
@@ -10,12 +10,12 @@ inherit bash-completion-r1 cmake-utils multilib
 IUSE=""
 if [ "${PV}" != "9999" ]; then
 	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="amd64 ~x86 ~amd64-linux ~x86-macos"
+	KEYWORDS="amd64 x86 ~amd64-linux ~x86-macos"
 	S="${WORKDIR}/${P#votca-}"
 else
 	inherit git-r3
 	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="amd64"
+	KEYWORDS="amd64 x86"
 fi
 
 DESCRIPTION="Votca excitation and charge properties module"