gentoo resync : 22.01.2021

author: V3n3RiX <venerix@redcorelinux.org> 2021-01-22 20:28:19 +0000
committer: V3n3RiX <venerix@redcorelinux.org> 2021-01-22 20:28:19 +0000
commit: abaa75b10f899ada8dd05b23cc03205064394bc6 (patch)
tree: eca3dd248b73b92013cba00a0fcc1edf2696e19a /sci-chemistry
parent: 24fd814c326e282c4321965c31f341dad77e270d (diff)
49 files changed, 210 insertions, 1751 deletions
diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild b/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
deleted file mode 100644
index 688fa93d394c..000000000000
--- a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
+++ /dev/null
@@ -1,34 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-PYTHON_COMPAT=( python3_{6,7} )
-
-inherit distutils-r1
-
-DESCRIPTION="A python library to analyze and manipulate molecular dynamics trajectories"
-HOMEPAGE="https://www.mdanalysis.org"
-SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz"
-
-SLOT="0"
-LICENSE="GPL-2"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE="test"
-
-RDEPEND="
-	dev-python/numpy[${PYTHON_USEDEP}]
-	dev-python/scipy[${PYTHON_USEDEP}]
-	sci-biology/biopython[${PYTHON_USEDEP}]
-	dev-python/networkx[${PYTHON_USEDEP}]
-	dev-python/GridDataFormats[${PYTHON_USEDEP}]
-	dev-python/netcdf4-python[${PYTHON_USEDEP}]
-	dev-python/mmtf-python[${PYTHON_USEDEP}]
-	dev-python/gsd[${PYTHON_USEDEP}]
-	dev-python/mock[${PYTHON_USEDEP}]
-	dev-python/duecredit[${PYTHON_USEDEP}]
-"
-BDEPEND="${RDEPEND}
-	test? ( dev-python/nose[${PYTHON_USEDEP}] )"
-
-RESTRICT="!test? ( test )"
diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild b/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild
new file mode 100644
index 000000000000..bf88aac47200
--- /dev/null
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild
@@ -0,0 +1,37 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+PYTHON_COMPAT=( python3_{6..9} )
+
+inherit distutils-r1
+
+DESCRIPTION="A python library to analyze and manipulate molecular dynamics trajectories"
+HOMEPAGE="https://www.mdanalysis.org"
+SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="test"
+
+RDEPEND="
+	>=dev-python/numpy-1.13.3[${PYTHON_USEDEP}]
+	>=dev-python/scipy-1.0.0[${PYTHON_USEDEP}]
+	>=sci-biology/biopython-1.71[${PYTHON_USEDEP}]
+	>=dev-python/networkx-1.0[${PYTHON_USEDEP}]
+	>=dev-python/GridDataFormats-0.4.0[${PYTHON_USEDEP}]
+	>=dev-python/joblib-0.12[${PYTHON_USEDEP}]
+	>=dev-python/matplotlib-1.5.1[${PYTHON_USEDEP}]
+	dev-python/netcdf4-python[${PYTHON_USEDEP}]
+	>=dev-python/mmtf-python-1.0.0[${PYTHON_USEDEP}]
+	>=dev-python/gsd-1.9.3[${PYTHON_USEDEP}]
+	dev-python/mock[${PYTHON_USEDEP}]
+	dev-python/duecredit[${PYTHON_USEDEP}]
+	>=dev-python/six-1.4.0[${PYTHON_USEDEP}]
+	>=dev-python/tqdm-4.43.0[${PYTHON_USEDEP}]
+"
+BDEPEND="${RDEPEND}"
+
+distutils_enable_tests nose
diff --git a/sci-chemistry/MDAnalysis/Manifest b/sci-chemistry/MDAnalysis/Manifest
index a9f769d9da07..6195949069ae 100644
--- a/sci-chemistry/MDAnalysis/Manifest
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -1,3 +1,3 @@
-DIST MDAnalysis-0.18.0.tar.gz 11085390 BLAKE2B 70b5530a0800370fbee2805d8c4cb495f2e339b29c13c0a2442e3310c1b941ccf459a19d0a490c47a28b77ffeeaca581100ef06b7196cb9fcdb1b71d5d0c871f SHA512 b235471c04ab2e117fe25e972d88a6245b1641f96d30eafd2f68949c8af8c1360eed49b1ec9960d8c386c0bbca8b3749cec322eb19f9975f15225983af0f5819
-EBUILD MDAnalysis-0.18.0-r1.ebuild 925 BLAKE2B 013879930fd02094967db072867f5d38b481ccd8112f787590be32d1e73b8cfa1726d58d3bbf206d5341285316283865779023cfd71c8d9cce7e634b2b4cddfd SHA512 9ed907cce72e7b9a416a2eae4d2bd7219f582c37278c49d4523d79aa151718a2af19f406a99f03fa1a44a58396de80e61d309c8294e198721a9d7dcc98f84667
+DIST MDAnalysis-1.0.0.tar.gz 19552874 BLAKE2B dab625a898d71a67a37ac5b58eb23ded9487f475e3c76f6c335a0ed5b32a43785d0473d089fcfc56c07263d82248bf5ee7b50c513441b10fc97f97b49411cc5f SHA512 4a001f45695308dd5f296bd2850d5d585c065e6b0f55efca65d91e452d78c85f13fd614eca0176a8d330e14a1c9e8ccbb919c3d4ae995b1945d09dc3ad687195
+EBUILD MDAnalysis-1.0.0.ebuild 1115 BLAKE2B 7bb08f7238c29fc2c5bcf3e6d46975c34581511b3b219b68e40de6efaedb9176974f992323230cb83142392c5c26994e3858ccd124e5c833ed7a044903d5d338 SHA512 b6a1be88aa44deb9d8db1277caed9242e738500cda86953674ad33c6943bad0227b2c1605f368fc25b7f3c9a9c2eaeb5810e1e0c32474d6066590511bdc10697
 MISC metadata.xml 496 BLAKE2B 1b6faf13663ab39bbb2c5b123f67cd7688c188459133d77411c857bd901f8133f9791d8c54e8fe7dc84e8150187b6562f297e706d36e167b3c20cf7df6e6a682 SHA512 674265a9bdb74cc5d4b059ce2b33cdba84bee097bb5940b3cc55cfdc6b74de5f28a4cfa34e9f0fd4db5d3c336a6f7b3be39235c2d9697d5adf9c7311e348d8a1
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 52423b6c7ad3..45996a4e83e1 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
diff --git a/sci-chemistry/avogadro2/Manifest b/sci-chemistry/avogadro2/Manifest
index c47e8dd7bad9..ac432449d753 100644
--- a/sci-chemistry/avogadro2/Manifest
+++ b/sci-chemistry/avogadro2/Manifest
@@ -1,6 +1,3 @@
-AUX avogadro2-1.90.0_p20180211-qt-5.11b3.patch 1134 BLAKE2B ff96a5b19d17768de242490e555679270d568ce41b321e549e88986c66c931e7275c88697ee71600cdab7990f473f6c214f903771754d292ff0766874a82f810 SHA512 5362a64709127b30656f1f7830d902ac00291cdf39160c4639f121568666fe1249f2f92c9378f75b2fc6cf44cecf74e92e207b73c029a9c9d997ac852f02ed86
-DIST avogadro2-1.90.0_p20180211.tar.gz 1099312 BLAKE2B fbf8e2006c46114632587615b48ac130e45a46ce2859a9c34270714091bc8397d9d7a93c3166bf58833f100e3e40afd1962012e479a8f92ba8ff9078200d51c5 SHA512 db9b0983d2161df493138ddf18c5dbda54cf2f8b75ebc944f1f57dab0f1e2048582362e5f46a78b1610aba080aaac8a66d2b2b71db748e031ffde306d3609856
 DIST avogadro2-1.93.0.tar.gz 2905461 BLAKE2B db51e4574fdf2a31657b8bef7b06eb0d563484deaae1a6d75649187d6f5fd7b02a99506cfb850e09792555d7c27d9937d0df0f7172fafc3ddcbccaa7502c5bb6 SHA512 8e4e15b6c2d1935f8c585c83761b28a6397bc1dc22cd5f66464d59dd25327b1cffec809af492586be4b56793448f94f9375c16e8a4c4969f7b8f2591049cc5fc
-EBUILD avogadro2-1.90.0_p20180211.ebuild 1273 BLAKE2B b0f9d795978e059158ae4929cdbe97425f58f84da99f67407b858e0b59672d35dbd83864d0e08d23fd0f3a1cb7d7ef70f9db0475e94e7b6a837f376313b9209e SHA512 d790a4f9c61937bf832c48ee7551ca9e63061732507e771d6ad9cf9b024da318ae83b7879f344360aff60a98473791cb741264c5cc73e4f930a8a3256fb65970
 EBUILD avogadro2-1.93.0.ebuild 1224 BLAKE2B 13b6f9bb19f20fb638cae69b4dd556563b749935a79735a4ad55fdcafe0b590320c6040bf8d147cfa657b7c79560fcb40c13993343bf54ecd750da707c23f142 SHA512 c27577dce2314671c15c47d9dfd4b1c0288503d418cb43b22dfa6c240e70c17f21d99f91915a6d6bd1d529426f7f99843954b69d24f08c42e90ecf6fec9b1846
 MISC metadata.xml 513 BLAKE2B f721104691759eb8a87d9cb6dd56bef45ac151e180caa68376406274a57df6c04e3fec6ba6d7e2aabf4355356002d27dd92e5b850c55103b3b23340d9b64d891 SHA512 4209c0681f7055b240f1054a10d58d5c22dca467903096ab1f5eb1b8cf276990f694b2033b4e9b4e4838cce65dd7c7660633079764248f394e32ece0048f09a0
diff --git a/sci-chemistry/avogadro2/avogadro2-1.90.0_p20180211.ebuild b/sci-chemistry/avogadro2/avogadro2-1.90.0_p20180211.ebuild
deleted file mode 100644
index 8345cd9619e5..000000000000
--- a/sci-chemistry/avogadro2/avogadro2-1.90.0_p20180211.ebuild
+++ /dev/null
@@ -1,61 +0,0 @@
-# Copyright 1999-2018 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-MY_PN=avogadroapp
-COMMIT=d5e1f827be7e9d1cc6755fd68a2b42b0b1d2ec32
-inherit cmake-utils xdg-utils
-
-DESCRIPTION="Advanced molecule editor and visualizer 2"
-HOMEPAGE="https://www.openchemistry.org/"
-SRC_URI="https://github.com/OpenChemistry/${MY_PN}/archive/${COMMIT}.tar.gz -> ${P}.tar.gz"
-
-SLOT="0"
-LICENSE="BSD GPL-2+"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE="doc rpc test vtk"
-
-RDEPEND="
-	dev-qt/qtcore:5
-	dev-qt/qtgui:5
-	dev-qt/qtwidgets:5
-	>=sci-libs/avogadrolibs-${PV}[qt5,vtk?]
-	sci-libs/hdf5:=
-	rpc? ( sci-chemistry/molequeue )
-"
-DEPEND="${DEPEND}
-	dev-cpp/eigen:3
-	test? ( dev-qt/qttest:5 )
-"
-
-RESTRICT="test"
-
-S="${WORKDIR}/${MY_PN}-${COMMIT}"
-
-PATCHES=( "${FILESDIR}/${P}-qt-5.11b3.patch" )
-
-src_prepare() {
-	cmake-utils_src_prepare
-	sed -e "/LICENSE/d" -i CMakeLists.txt || die
-}
-
-src_configure() {
-	local mycmakeargs=(
-		-DBUILD_DOCUMENTATION=$(usex doc)
-		-DAvogadro_ENABLE_RPC=$(usex rpc)
-		-DENABLE_TESTING=$(usex test)
-		-DUSE_VTK=$(usex vtk)
-	)
-	cmake-utils_src_configure
-}
-
-pkg_postinst() {
-	xdg_mimeinfo_database_update
-	xdg_desktop_database_update
-}
-
-pkg_postrm() {
-	xdg_mimeinfo_database_update
-	xdg_desktop_database_update
-}
diff --git a/sci-chemistry/avogadro2/files/avogadro2-1.90.0_p20180211-qt-5.11b3.patch b/sci-chemistry/avogadro2/files/avogadro2-1.90.0_p20180211-qt-5.11b3.patch
deleted file mode 100644
index 1e7a23f0b54e..000000000000
--- a/sci-chemistry/avogadro2/files/avogadro2-1.90.0_p20180211-qt-5.11b3.patch
+++ /dev/null
@@ -1,34 +0,0 @@
-From 2c70d9bf7248d8da7691a5830ba6a0972fd9eea7 Mon Sep 17 00:00:00 2001
-From: Andreas Sturmlechner <asturm@gentoo.org>
-Date: Tue, 17 Apr 2018 11:57:32 +0200
-Subject: [PATCH] Fix build with Qt 5.11_beta3 (dropping qt5_use_modules)
-
----
- avogadro/CMakeLists.txt | 4 ++--
- 1 file changed, 2 insertions(+), 2 deletions(-)
-
-diff --git a/avogadro/CMakeLists.txt b/avogadro/CMakeLists.txt
-index 115b798..f564eb5 100644
---- a/avogadro/CMakeLists.txt
-+++ b/avogadro/CMakeLists.txt
-@@ -16,7 +16,7 @@ if(MSVC)
- endif()
- 
- # Find the Qt components we need.
--find_package(Qt5 COMPONENTS Widgets Network REQUIRED)
-+find_package(Qt5 REQUIRED COMPONENTS Concurrent Widgets Network CONFIG)
- 
- configure_file(avogadroappconfig.h.in avogadroappconfig.h)
- 
-@@ -88,7 +88,7 @@ endif()
- 
- add_executable(avogadro WIN32 MACOSX_BUNDLE
-   ${avogadro_srcs} ${ui_srcs} ${rcc_srcs})
--qt5_use_modules(avogadro Widgets Network Concurrent)
-+target_link_libraries(avogadro Qt5::Widgets Qt5::Network Qt5::Concurrent)
- if(WIN32)
-   set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} /NODEFAULTLIB:MSVCRTD")
-   target_link_libraries(avogadro Qt5::WinMain)
--- 
-2.17.0
-
diff --git a/sci-chemistry/bodr/Manifest b/sci-chemistry/bodr/Manifest
index 7e54019fd82e..d3f4c0ae9af1 100644
--- a/sci-chemistry/bodr/Manifest
+++ b/sci-chemistry/bodr/Manifest
@@ -1,5 +1,3 @@
 DIST bodr-10.tar.bz2 225671 BLAKE2B cda3d66da530cb28898389080807c4ed8602bb8871ee9e9ff75ba4a7a40ee676308539adb26d61b3361b53f37c099fa784438def9b768828a941c3693c7315a2 SHA512 a3e0e7195914938d8824127aa4777c4054c302ef7811d82d1e012d9be5d7a13d7f2225d4216f4a30ae7dbf70eb3b0b38571c3ee0dbe1d97af15f04171dd51bec
-DIST bodr-9.tar.bz2 210548 BLAKE2B 91efe4e216c0b07378e69739925fe603a091cc29551b85461dc146d8ba5d855bd33f1432cb159a52f2520cbda8c5228b93c90a23497ca6262f705852fc886c92 SHA512 5bcdd682729e11a0bc48f9306262e03fa2a3ca3a805633c2b40d7f94608ce6e2e778cc89ed0c57ec3bf6105c2f759204e158ac6f29c9e6ee3aa37190f8f0d772
 EBUILD bodr-10.ebuild 585 BLAKE2B 645d4a136eebe975101b4b4b87e19db89157f62983c146d5891bb803205d175b96734962236192da71cbcaeb54ee5338b38b26d068519c28db9f39acb06882f2 SHA512 8faf4644cc5ec6afbca8fec153262db33a0e9804cc711d48a4a2a5ca48ff08d6dc74ffd7aacc7ca7a9006b1093d6522bd3988e25f8b8cdb3cdff9a42a1b0e508
-EBUILD bodr-9-r1.ebuild 585 BLAKE2B 645d4a136eebe975101b4b4b87e19db89157f62983c146d5891bb803205d175b96734962236192da71cbcaeb54ee5338b38b26d068519c28db9f39acb06882f2 SHA512 8faf4644cc5ec6afbca8fec153262db33a0e9804cc711d48a4a2a5ca48ff08d6dc74ffd7aacc7ca7a9006b1093d6522bd3988e25f8b8cdb3cdff9a42a1b0e508
 MISC metadata.xml 691 BLAKE2B 1cb2f68315ca1fc3ee1576ea5f13ffbac8ac3552090eac4ed36b85a7411e5d456da29f38627b1c36552d37e9a260a36ae62bd314b3b735c505931f2f9302c899 SHA512 40092a5f0956a1fb3ab8fcad065fbb3d3549d97c5687acf26fe68f07754ff4909b7c6bc84dcb2e097ab5637fecd11f7057026967fd86b4302a5a6f718cea3e1c
diff --git a/sci-chemistry/bodr/bodr-9-r1.ebuild b/sci-chemistry/bodr/bodr-9-r1.ebuild
deleted file mode 100644
index 4a8ecabc18c3..000000000000
--- a/sci-chemistry/bodr/bodr-9-r1.ebuild
+++ /dev/null
@@ -1,26 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-DESCRIPTION="The Blue Obelisk Data Repository listing element and isotope properties"
-HOMEPAGE="https://sourceforge.net/projects/bodr"
-SRC_URI="mirror://sourceforge/${PN}/${P}.tar.bz2"
-
-LICENSE="MIT"
-SLOT="0"
-KEYWORDS="~amd64 ~x86 ~ppc-macos"
-IUSE=""
-
-DEPEND="dev-libs/libxslt"
-RDEPEND=""
-
-DOCS=( "THANKS" "AUTHORS" "README" "ChangeLog" )
-
-src_prepare() {
-	sed -i -e "s/COPYING//g" Makefile.* || die
-}
-
-src_configure() {
-	econf --docdir="${EPREFIX}"/usr/share/doc/${PF}
-}
diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index 82d5059b60d1..0e0fa05b694f 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1,6 +1,3 @@
-AUX chemex-2018.10.2-tests-package.patch 418 BLAKE2B 7547e44f73bba8f48dda46e1867cff75a4343b26732b59b011470a7a8143bc0b17c7a7f87d97672239b679406fc54662d68f04e2b1548adddd723ecced954205 SHA512 5e3c58ab4ba271672381308177c462e0813a2e43ced602090b527d99be3e3f38f53f822cfe62ed8f841a16f4c04a933f4ed08d2e71c04777745298e3354bfb4a
-DIST chemex-2018.10.2.tar.gz 546575 BLAKE2B c36ae3bc152459844633276ab286b6f750ed5b2538c4289ceb75de9a081ad74fe346a79357fd6fc2f8972722b3520473262c4d623e46d6a4b30395962164a51f SHA512 f8ed017c0881ea9188e150456827e2c6302bdfe546c8058bd0261e43d941fbd1ac9e6abf1621d82107a4f6bd4e9aa4bc70c46e42dc98eabf2dba45a4fa78f77e
 DIST chemex-2018.10.3.tar.gz 546696 BLAKE2B d283cfb94118686f1974780249641e0ea6f86cdb854c4a256897e361a300a94506813a5035ee2f300fca13263e8452b77e7a0817436cbd620ba16d801a541af7 SHA512 784bd03b354724d6aa52d663c6f661f865d4ef7ca345573bc8aae9ef63e5dbb3e65abba364de3ff441b78adfa588344c718809c5880b3fc70d8ed24be06a0826
-EBUILD chemex-2018.10.2.ebuild 1157 BLAKE2B 53801ad283382f7d1edb55611c0d8696c1c40e2cf2c6074f5a3feb2bc4c7b378cd567a4a8cd458143f7ecba2decb1c50818ec3b0a36e998805b411da20979708 SHA512 d214a52e33a8b47a16c2f43b228855d96f8bcf62fa66dc0956a13e4498e64aa338b1c623d28b329599026b913a598ed3353f31bc51f1d46b526d213600a406a7
 EBUILD chemex-2018.10.3.ebuild 1053 BLAKE2B 4f4e380c52f45f435168c506e77a02404c385c0ead97b281583a440d8c2f7e0791698ffb47acda20e8d97f6bd2aeb1f098f94afb8ecc39f08f8ab9f3a59b4202 SHA512 9edf9f46e4fa5fd2ced2cbbea6f92c64da9bd24f94369d54359a6e72d13e590918f7506cd2ddd03c53e28ba45161ef6e0f825befb4bbdc90252b2cface229d42
 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
deleted file mode 100644
index b73bd7a2fa61..000000000000
--- a/sci-chemistry/chemex/chemex-2018.10.2.ebuild
+++ /dev/null
@@ -1,47 +0,0 @@
-# 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}]
-		>=dev-python/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
deleted file mode 100644
index d743c969a925..000000000000
--- a/sci-chemistry/chemex/files/chemex-2018.10.2-tests-package.patch
+++ /dev/null
@@ -1,11 +0,0 @@
---- 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/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index d839baa00632..d3a5325bddf9 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -1,23 +1,22 @@
 AUX gromacs-2020_beta1-pytest.patch 630 BLAKE2B 1036e06589c24459006f0b579ee89c9d9c4623c7ca32fae90b21646db13280549a23cad717ef7481b03cbf9f2629b6804c0727d4b8c7f3274d0463d2735f976a SHA512 b5880d3a21635892d52b2ac09cbf456194a3db0fa0676bbdd2c2500964da89fbb7f4ebed7ac7843304159bf11f44e279eb505b2af8833127d2e21f10cb254c1e
 DIST gromacs-2018.8.tar.gz 29913703 BLAKE2B 8780032305928067fbfe1559efe9eedc4d47e27ab2f6ab54d6dba39edfcbeefbee4673d8910009048a850620b5a08ba8feb622db652c439cfa50a149ec5f0015 SHA512 6717895942f2ab7b54019511ed2aebadadde8e96d3c4b7414bb9168ffe418432d2dee330192e199f7b9d2f665c71f5d4f1ef0911aa7243d525a2ca182ef5b122
-DIST gromacs-2019.5.tar.gz 33445791 BLAKE2B 1e2e2764b0c8774c878abf4f32c2fa7ddd9b46f464cf1256deb48335433d92ef1b315f5534cdec9f766ae928a71361b5a4dd4a4def638269eb260ff98dbbe8bb SHA512 fdd177e4dfd29629b72bfbb4d61ff7bcdb37279f534883a9df8fd57569212fe1e9f8b8c9cec347fcc607539f31412d604d11ee3c0eb797251960435962b1bec6
 DIST gromacs-2019.6.tar.gz 33446147 BLAKE2B adc21fb6b841b06d499607f8c0166a673645ef5af0b40bd823d0fff5ea24397e6301c5e1e0070986ae1ce1deba8a42052b66da148b071c1e21f2fe3908fee275 SHA512 7c227a9539e5775d5d128ae9e872a24181d79cdcd2852b86453597987e8d7332ecec371da65d089f6e610c54aafbccc8824ce298743383dd6240719ebee692a8
 DIST gromacs-2020.4.tar.gz 29149899 BLAKE2B a07c8efd96137d58c1edf4ac9b5aafeb16d9e65234b9459b71471827032654acacb58ed6ae87ec6e0e593a0acd799683cc4461b06cc883b089d740708619345e SHA512 0c56f058741af70660baf0177724ec940dd984c05ea141ede91ee51ce3744f76d00e31bdb5db907e46fa1639de5dca637b3ace26e89f908c2e74c69f0c21ed3a
-DIST gromacs-2021-beta3.tar.gz 30138154 BLAKE2B 4abea01663c743f70489f6fb874802496605ab1a9bc08f09547409fde370b0388fab826e0d2492e5447654bcb1ae9e5cf22fcdf5e2bd2306e83868b62ef9ec1f SHA512 f36799c5538b0c04d7406a2886c29a95593481e06835885fcd9de2d668a68015d2aeb7865f3050cc0451b1aac37b25b5d41b0b227ac9a33067322cc7ef9ce1c2
+DIST gromacs-2020.5.tar.gz 29148909 BLAKE2B ea439ae95d4af67a77d53182f7ddab702799edab8527c1b6ad20625d21a81f3e3c0cc699fa0b656625bffcca0bdd5a1e104aea4f592ee2db92b4f1a460ad0e80 SHA512 fe38fda36d31aef5ce01a3dbc29c9f50d3cc05b20bb34a9a8f10fda5aecde4f93ca8a3f85433139e1bb88fc23d77916a4aff5a292abaa528bd0e6138e84cba18
+DIST gromacs-2021-rc1.tar.gz 30141045 BLAKE2B 7fca2e8097be35bae3d35aa54d2793e6fa06181a471092930cc21333a11fec97a717e01ea2be494540df05687c06d25d9d2ad8308ac0913fbcfd94b72d380939 SHA512 74512ee4847b114ce6c4420f9b61af067ff9716a2c616d53cf66c6f47c8eb41ed5c566553c16392b5dc233386f1eeade892cb9e01cc9724199cef06ffa794869
 DIST manual-2018.8.pdf 10025023 BLAKE2B afb0a6e6a72d78df743fcb57e7c1716848589e571dd35167b957a9b407ca27978ccfb6cb9e0df9c9439b888f352501a00ba32281ed1e0b4193bd606f1d77152e SHA512 b1972f7ce965bfc9377542993c5943ea4868a8ed23a969d4203264746d6bea3a7a65c6379196ece37fd6d68ec7ec80f827bde87d1049284af7082759a124f1d5
-DIST manual-2019.5.pdf 12702361 BLAKE2B cb80429a59019b190115bf2af689c0df23b0fec6e41a9ebc9eba20977d1b06eed79044c906c41228883767f673140e15d3a5ef947a0c1ec4fe84012089f4fa91 SHA512 baf27961b87e6120c49abc9dc58e25d12a15588b4ac787e1a086748d488692d4a1262229ac66e550d3cca3a6042545fb6ec472a2c98d6a8698b7a18b4397f605
 DIST manual-2019.6.pdf 12702376 BLAKE2B c350127bc06a9eb3dee73da39037c84daeb89500e23cb131bd19a150bf60602d4dde7611e0c6f0f344af4093e96a899303dac71b4df56fd0c44c3a48a56606b7 SHA512 dfdff67c2c1c9ce1f1c236b7686c5331b0fe86951da6c98eddd6a3e748815e0be0a9653ae4318469fcdd913c4e7c355d64a997cc80b9d9fbe6282ef6d98e61eb
 DIST regressiontests-2018.8.tar.gz 67855469 BLAKE2B 34c9b339f6229f483afbb5192ee6ba8b8f72d5c26907a853af9c53dfece0d88739e48f6b44b78d1c010f988f9385d077285300522164f533a5861e9dda879275 SHA512 3642389d27bd1942cd0f091c940ae97b197b94856a387fe581dc516b0d4169480f16551d4ba357f9282b3337d605c286d51dd38112ac87c826dda634904836bb
-DIST regressiontests-2019.5.tar.gz 67643634 BLAKE2B c4d9535d9a8a650869d67544ad5f367324f45e55325bb5074ece9b010f232f2f0dd97c9af97924d3f2368ed63015ca7330baff1cc681310e1439ec330b70ee8d SHA512 7c0917b76e7db35ab4e3271d523d268e0e2d858091e68ead863bfe6d1e56b381e30fdbf44f479f6e065c029e2eb27cfa0dbaa1b243f185144321aaf5084c55ce
 DIST regressiontests-2019.6.tar.gz 67643195 BLAKE2B 1e054e24b187946f7ea28090d4f20cf8e1d79a26253f57ba07d130e0773d8541b8a1552a38023d31a68ce8bc62d8e0af1d98609234bb3e7d3e6d567307ebb386 SHA512 eacf1c55b982515a305c29459fe80a7cd558a8481e5689962aa956148af542568b1d1ce59c6784ecb0afd4768c2b664afa21e12af2d89ae2b06b1ba61ad72036
 DIST regressiontests-2020.4.tar.gz 48542144 BLAKE2B 1dcde67525d40ababa74d9e8ba2dd3fdef1de7d1018491e102edd71d3a622925f213b5a0812e5448882b4cb5fb578317e8e5029bdc4bd53008aa8441a3d9dea1 SHA512 7c71f36a1cef22562f14dcd233e90ad2fe370ae1a7d3b5268727259b374e12d4754253735ac8745d3738bdbc1cc2067780fda5e393be2ff264f632fe4e0c1978
-DIST regressiontests-2021-beta3.tar.gz 48513481 BLAKE2B b39685e7a43dbcd83c0ffc28b15e3aca5c82c18dd817c543262787ac40466c88f72c2a350fd3e945d62e1f9ef6f938db916650315612a5d1e27d4c6b70f8d5e2 SHA512 183bebf3c44805efa5a90ae8b7a34d701ffbe3a5c5b37e80359cbdf61c8492fbe6ca24f10575b8e8061aa1ae38f2a3ea1bac8b723503b1b6ab706faeace9e411
+DIST regressiontests-2020.5.tar.gz 48541167 BLAKE2B 81f0505090203c970178ca4eba8dfd54d942a20970525cad954833481cd79141fa33fc97e8940ca83cee104ef6b017bc0f7bbed9eddc620a86c818760b3fc261 SHA512 aba67542ed00145cae8de040e4a9074a8a359a529135180e6083b2330934962302349d382d6626bddc6971ae6d44e09c8ea44d5df55ca5fcd038055a1c3e5cc3
+DIST regressiontests-2021-rc1.tar.gz 48512759 BLAKE2B 721c495993ded1dd61242014b5dd6bc08be18cebb1c1dd2404b1837bba451189e16cd52c94e842e6052703ec0a2638149ffa7b55b836ee11fcb4378b8e58628a SHA512 41171d1f6e394b10ff426bc0e354cfedc577f75825fc2c31a67761365498a1f2e35e97d66231dd8742a8d836e77e4512dba4238ef0319c9075cfe4231e721b1e
 EBUILD gromacs-2018.8.ebuild 6948 BLAKE2B f7258bdf69131e6eff444b9025573822828e7c073086af2a7b6d59b0e140033e1c6ae5a2bb3d3827cae5e52240366dd53fbac03a447b112993d72ddaf0230793 SHA512 274386cdd1b0b14a16cb785e4399104dc2f7a21718f88ed6fd96117b6606f3249159733dc7eb8afb8def3935f43f026444014f1a64f4ff8ea0af1d4a4fb0155c
-EBUILD gromacs-2019.5-r1.ebuild 7269 BLAKE2B 0767855a053171fbeab635ef2c90725df443d78b4c250cb8ec39ac8e7cc2b77550ca33916db655d08d17bcf9258b47a0f98af07c5f3e391cb82ee3fe501a3058 SHA512 69ca23a3b9599e5f55444e19a7478eb48ea0d48f9bbb98c6f9d237757dac008e5b62868cfe374540a902792b458c1f961e47a1b4bb4545ce412a04e54bcb6599
 EBUILD gromacs-2019.6.ebuild 7269 BLAKE2B 0767855a053171fbeab635ef2c90725df443d78b4c250cb8ec39ac8e7cc2b77550ca33916db655d08d17bcf9258b47a0f98af07c5f3e391cb82ee3fe501a3058 SHA512 69ca23a3b9599e5f55444e19a7478eb48ea0d48f9bbb98c6f9d237757dac008e5b62868cfe374540a902792b458c1f961e47a1b4bb4545ce412a04e54bcb6599
 EBUILD gromacs-2020.4.ebuild 9806 BLAKE2B 01135db92a8255edf64ef01e1c2318834b229186eec17ca36150767d97a65caaff42a09647b773150df99dcd85c9507424ea4b40366190d7a2e097ea6686f52a SHA512 4f66f1936eb632a50b06ec1c6662767e65a51ef17b816f321c6e8cce00a8926c537b4ae3ba50f7edf7b3679b1b8ebb2d683a84404f418be8b33e53ae6e9e2c94
+EBUILD gromacs-2020.5.ebuild 9809 BLAKE2B 63ecf9c00c5d8a67b1378fe24e82a18be87a67c2584baee0daece7e6583aa795be408db0f5c8acf10d136b5003c127b2fef3cfea6624c4951b3d4919a37ee098 SHA512 4f2e53f171f46b8be3372ca4a04b893ea78a81e7241792ae402b75e8a3619aaa8956e5684dc30247e3f19fe01b2b0319b8117b48042cddd9304e57f535b110bc
 EBUILD gromacs-2020.9999.ebuild 9809 BLAKE2B 63ecf9c00c5d8a67b1378fe24e82a18be87a67c2584baee0daece7e6583aa795be408db0f5c8acf10d136b5003c127b2fef3cfea6624c4951b3d4919a37ee098 SHA512 4f2e53f171f46b8be3372ca4a04b893ea78a81e7241792ae402b75e8a3619aaa8956e5684dc30247e3f19fe01b2b0319b8117b48042cddd9304e57f535b110bc
 EBUILD gromacs-2021.9999.ebuild 9982 BLAKE2B 5430b1a73a326a7e69a6193cbcf68195cde80250edfdec33038936318346a02d08fa58fc3bbdb4bf669805be33cfe7156916cfa6479069862bd2a75c4c94fdb5 SHA512 397714718f92fdcce12a6b409a6cc5375720eee92645d38c4580bd522192322ad1ca574fb831a0cbc5c4bca2cb7652a66089f6ebb876c299f8d8ce84f7a2004a
-EBUILD gromacs-2021_beta3.ebuild 9982 BLAKE2B 5430b1a73a326a7e69a6193cbcf68195cde80250edfdec33038936318346a02d08fa58fc3bbdb4bf669805be33cfe7156916cfa6479069862bd2a75c4c94fdb5 SHA512 397714718f92fdcce12a6b409a6cc5375720eee92645d38c4580bd522192322ad1ca574fb831a0cbc5c4bca2cb7652a66089f6ebb876c299f8d8ce84f7a2004a
+EBUILD gromacs-2021_rc1.ebuild 9982 BLAKE2B 5430b1a73a326a7e69a6193cbcf68195cde80250edfdec33038936318346a02d08fa58fc3bbdb4bf669805be33cfe7156916cfa6479069862bd2a75c4c94fdb5 SHA512 397714718f92fdcce12a6b409a6cc5375720eee92645d38c4580bd522192322ad1ca574fb831a0cbc5c4bca2cb7652a66089f6ebb876c299f8d8ce84f7a2004a
 EBUILD gromacs-9999.ebuild 9982 BLAKE2B 5430b1a73a326a7e69a6193cbcf68195cde80250edfdec33038936318346a02d08fa58fc3bbdb4bf669805be33cfe7156916cfa6479069862bd2a75c4c94fdb5 SHA512 397714718f92fdcce12a6b409a6cc5375720eee92645d38c4580bd522192322ad1ca574fb831a0cbc5c4bca2cb7652a66089f6ebb876c299f8d8ce84f7a2004a
 MISC metadata.xml 1173 BLAKE2B 768befbbd08adbd39f92bb715798a7ff8d0559bb3dfc3bf58c282ae687d4946f06b32c5a75544dcc33b83e5a874538712021c8ecbee5a989a6f045d752ab359b SHA512 24363e3136b7c81288798ac01f779cf9c06c32482c0b5acd6d1c5f2a66733ddfdf35de661cedb6a23e1a5de08c012b79e6d2903172aee139a675897e5c72e7d3
diff --git a/sci-chemistry/gromacs/gromacs-2019.5-r1.ebuild b/sci-chemistry/gromacs/gromacs-2020.5.ebuild
index da2db70a9742..bf0d38276e23 100644
--- a/sci-chemistry/gromacs/gromacs-2019.5-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.5.ebuild
@@ -5,13 +5,25 @@ EAPI=7
 
 CMAKE_MAKEFILE_GENERATOR="ninja"
 
-inherit bash-completion-r1 cmake cuda eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils
-
-SRC_URI="
-	http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
-	doc? ( http://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf )
-	test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
-KEYWORDS="amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos"
+PYTHON_COMPAT=( python3_{6,7,8,9} )
+
+DISTUTILS_SINGLE_IMPL=1
+
+inherit bash-completion-r1 cmake cuda distutils-r1 eutils flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
+
+if [[ $PV = *9999* ]]; then
+	EGIT_REPO_URI="
+		https://gitlab.com/gromacs/gromacs.git
+		https://github.com/gromacs/gromacs.git
+		git://git.gromacs.org/gromacs.git"
+	[[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}"
+	inherit git-r3
+else
+	SRC_URI="
+		http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz
+		test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )"
+	KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos"
+fi
 
 ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2"
 
@@ -23,7 +35,7 @@ HOMEPAGE="http://www.gromacs.org/"
 #        base,    vmd plugins, fftpack from numpy,  blas/lapck from netlib,        memtestG80 library,  mpi_thread lib
 LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
 SLOT="0/${PV}"
-IUSE="X blas cuda +doc -double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng ${ACCE_IUSE}"
+IUSE="X blas cuda +custom-cflags +doc -double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}"
 
 CDEPEND="
 	X? (
@@ -41,10 +53,21 @@ CDEPEND="
 	mkl? ( sci-libs/mkl )
 	mpi? ( virtual/mpi )
 	${PYTHON_DEPS}
+	!sci-chemistry/gmxapi
 	"
 BDEPEND="${CDEPEND}
 	virtual/pkgconfig
-	"
+	doc? (
+		app-doc/doxygen
+		$(python_gen_cond_dep '
+			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
+		')
+		media-gfx/mscgen
+		media-gfx/graphviz
+		dev-texlive/texlive-latex
+		dev-texlive/texlive-latexextra
+		media-gfx/imagemagick
+	)"
 RDEPEND="${CDEPEND}"
 
 REQUIRED_USE="
@@ -58,7 +81,11 @@ DOCS=( AUTHORS README )
 
 RESTRICT="!test? ( test )"
 
-S="${WORKDIR}/${PN}-${PV/_/-}"
+if [[ ${PV} != *9999 ]]; then
+	S="${WORKDIR}/${PN}-${PV/_/-}"
+fi
+
+PATCHES=( "${FILESDIR}/${PN}-2020_beta1-pytest.patch" )
 
 pkg_pretend() {
 	[[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
@@ -66,6 +93,24 @@ pkg_pretend() {
 		die "Please switch to an openmp compatible compiler"
 }
 
+pkg_setup() {
+	python-single-r1_pkg_setup
+}
+
+src_unpack() {
+	if [[ ${PV} != *9999 ]]; then
+		default
+	else
+		git-r3_src_unpack
+		if use test; then
+			EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
+			EGIT_BRANCH="${EGIT_BRANCH}" \
+			EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests"\
+				git-r3_src_unpack
+		fi
+	fi
+}
+
 src_prepare() {
 	#notes/todos
 	# -on apple: there is framework support
@@ -88,18 +133,44 @@ src_prepare() {
 	fi
 
 	DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
+
+	# try to create policy for imagemagik
+	mkdir -p ${HOME}/.config/ImageMagick
+	cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+	<?xml version="1.0" encoding="UTF-8"?>
+	<!DOCTYPE policymap [
+	<!ELEMENT policymap (policy)+>
+	!ATTLIST policymap xmlns CDATA #FIXED ''>
+	<!ELEMENT policy EMPTY>
+	<!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
+			name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED
+			stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
+	]>
+	<policymap>
+		<policy domain="coder" rights="read | write" pattern="PS" />
+		<policy domain="coder" rights="read | write" pattern="PS2" />
+		<policy domain="coder" rights="read | write" pattern="PS3" />
+		<policy domain="coder" rights="read | write" pattern="EPS" />
+		<policy domain="coder" rights="read | write" pattern="PDF" />
+		<policy domain="coder" rights="read | write" pattern="XPS" />
+	</policymap>
+	EOF
 }
 
 src_configure() {
 	local mycmakeargs_pre=( ) extra fft_opts=( )
 
-	#go from slowest to fastest acceleration
-	local acce="None"
-	use cpu_flags_x86_sse2 && acce="SSE2"
-	use cpu_flags_x86_sse4_1 && acce="SSE4.1"
-	use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
-	use cpu_flags_x86_avx && acce="AVX_256"
-	use cpu_flags_x86_avx2 && acce="AVX2_256"
+	if use custom-cflags; then
+		#go from slowest to fastest acceleration
+		local acce="None"
+		use cpu_flags_x86_sse2 && acce="SSE2"
+		use cpu_flags_x86_sse4_1 && acce="SSE4.1"
+		use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
+		use cpu_flags_x86_avx && acce="AVX_256"
+		use cpu_flags_x86_avx2 && acce="AVX2_256"
+	else
+		strip-flags
+	fi
 
 	#to create man pages, build tree binaries are executed (bug #398437)
 	[[ ${CHOST} = *-darwin* ]] && \
@@ -137,6 +208,7 @@ src_configure() {
 		-DGMX_OPENMP=$(usex openmp)
 		-DGMX_COOL_QUOTES=$(usex offensive)
 		-DGMX_USE_TNG=$(usex tng)
+		-DGMX_BUILD_MANUAL=$(usex doc)
 		-DGMX_HWLOC=$(usex hwloc)
 		-DGMX_DEFAULT_SUFFIX=off
 		-DGMX_SIMD="$acce"
@@ -165,11 +237,13 @@ src_configure() {
 			-DGMX_MPI=OFF
 			-DGMX_THREAD_MPI=$(usex threads)
 			-DGMXAPI=$(usex gmxapi)
+			-DGMX_INSTALL_LEGACY_API=$(usex gmxapi-legacy)
 			"${opencl[@]}"
 			"${cuda[@]}"
 			"$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
 			-DGMX_BINARY_SUFFIX="${suffix}"
 			-DGMX_LIBS_SUFFIX="${suffix}"
+			-DGMX_PYTHON_PACKAGE=$(usex python)
 			)
 		BUILD_DIR="${WORKDIR}/${P}_${x}" cmake_src_configure
 		[[ ${CHOST} != *-darwin* ]] || \
@@ -201,6 +275,17 @@ src_compile() {
 		einfo "Compiling for ${x} precision"
 		BUILD_DIR="${WORKDIR}/${P}_${x}"\
 			cmake_src_compile
+		if use python; then
+			BUILD_DIR="${WORKDIR}/${P}_${x}"\
+				cmake_src_compile	python_packaging/all
+			BUILD_DIR="${WORKDIR}/${P}" \
+				distutils-r1_src_compile
+		fi
+		# not 100% necessary for rel ebuilds as available from website
+		if use doc; then
+			BUILD_DIR="${WORKDIR}/${P}_${x}"\
+				cmake_src_compile manual
+		fi
 		use mpi || continue
 		einfo "Compiling for ${x} precision with mpi"
 		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\
@@ -219,8 +304,12 @@ src_install() {
 	for x in ${GMX_DIRS}; do
 		BUILD_DIR="${WORKDIR}/${P}_${x}" \
 			cmake_src_install
+		if use python; then
+			BUILD_DIR="${WORKDIR}/${P}_${x}" \
+				cmake_src_install	python_packaging/install
+		fi
 		if use doc; then
-			newdoc "${DISTDIR}/manual-${PV/_/-}.pdf" "${PN}-manual-${PV}.pdf"
+			newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
 		fi
 		use mpi || continue
 		BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
diff --git a/sci-chemistry/gromacs/gromacs-2021_beta3.ebuild b/sci-chemistry/gromacs/gromacs-2021_rc1.ebuild
index 99ee93e05094..99ee93e05094 100644
--- a/sci-chemistry/gromacs/gromacs-2021_beta3.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021_rc1.ebuild
diff --git a/sci-chemistry/openbabel/Manifest b/sci-chemistry/openbabel/Manifest
index a2ee606653dd..782bf7a5fc8f 100644
--- a/sci-chemistry/openbabel/Manifest
+++ b/sci-chemistry/openbabel/Manifest
@@ -3,5 +3,4 @@ AUX openbabel-2.4.1-gcc-8.patch 707 BLAKE2B 2b40d3e573664d036ef961e0298d34e09337
 DIST openbabel-2.4.1.tar.gz 11618304 BLAKE2B 8fc051e83add9be6456e281a109bd6bbec282a64ffc83309819f0decbf167b4914fbb7f1966e95e103f268754045b804317f51c79a952ace707c6af2bd320125 SHA512 427e678f0a911bd27b9a8a05e60b6e09f113be4e5dd180daaf80c28d06368e52b57501261755ab3817a8d31f2754db24471fd0ceee706d029386d6f70800e9c6
 DIST openbabel.png 29060 BLAKE2B 8d217d92125cc73462437411dd4e0cc05179cb0934f5ed15a307acc6b549b8ebab250a48a05ef7657f48c6df394f37da9b659de61efb1477b79b573a5b393ad3 SHA512 bbcaaa37663b526c9038ccb9edaf05ccc3ad1a861739a737f05f363098d8402a10b36e341fcc0aca636e809c6c32db99bf987b41719a0c756bf5e31444d3eb70
 EBUILD openbabel-2.4.1-r1.ebuild 2226 BLAKE2B 1342b61d567112528a5d574e0529837d96b53e98ca96a71b05336079f2caf7489b74cf98a83d15d884f19ed24090f1284313cd1b5df552f6482fe6dfa045a40d SHA512 1566ba69f27e97acfbb2950b65844987dc9a21410f42d540e0e3a6c732c151395b80cc6fa371b70414ffcc5b61c445efb6f893653b2b5d353579c73f6804f247
-EBUILD openbabel-2.4.1.ebuild 2057 BLAKE2B 265cc20a061747321c4a15b25cb98dbaed80fcca5be79af17fc7a5e391082f4c9df665d0aba15083d70f2511359e88bf119f960bed39d720f3f8d23df0130545 SHA512 f2a276d04439bc9b195c32e528f9ced7d4be7127f8088c45963e91d6220020dfc918b14dc76238e1e10a9fdfeec043dd45460af6766514d3fc5e954f5f85ff05
 MISC metadata.xml 665 BLAKE2B 4657b85c826c006b6d69e06240dd908a72397a32cb0c0512810e22d1b02478eaa3ab460535b300eba653a334a79c81a102007da1a901d6d1dbd04fc5e795df73 SHA512 0555e7c7401dfd5fbeee339302f8eb7a104ad6538db2839d8e89c20ac5ad2184070335677671a58eb91be2780ae485467d33302f3a14d0caab4ae8c0148f03bb
diff --git a/sci-chemistry/openbabel/openbabel-2.4.1.ebuild b/sci-chemistry/openbabel/openbabel-2.4.1.ebuild
deleted file mode 100644
index 6f60a5ab1354..000000000000
--- a/sci-chemistry/openbabel/openbabel-2.4.1.ebuild
+++ /dev/null
@@ -1,94 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-WX_GTK_VER="3.0"
-
-inherit cmake-utils optfeature toolchain-funcs wxwidgets
-
-DESCRIPTION="Interconverts file formats used in molecular modeling"
-HOMEPAGE="http://openbabel.sourceforge.net/"
-SRC_URI="mirror://sourceforge/openbabel/${P}.tar.gz"
-
-# See src/CMakeLists.txt for LIBRARY_VERSION
-SLOT="0/5.0.0"
-LICENSE="GPL-2"
-KEYWORDS="amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos"
-IUSE="doc openmp test wxwidgets"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
-	dev-cpp/eigen:3
-	dev-libs/libxml2:2
-	sci-libs/inchi
-	sys-libs/zlib
-	wxwidgets? ( x11-libs/wxGTK:${WX_GTK_VER}[X] )"
-DEPEND="${RDEPEND}
-	>=dev-util/cmake-2.4.8
-	doc? ( app-doc/doxygen )"
-
-DOCS=( AUTHORS NEWS.md README.md THANKS doc/dioxin.{inc,mol2} doc/README.{dioxin.pov,povray} )
-
-PATCHES=(
-	"${FILESDIR}"/${PN}-2.3.2-gcc-6_and_7-backport.patch
-	"${FILESDIR}"/${P}-gcc-8.patch
-	)
-
-pkg_setup() {
-	if use openmp; then
-		if [[ $(tc-getCC) == *gcc ]] && ! tc-has-openmp; then
-			ewarn "OpenMP is not available in your current selected gcc"
-			die "need openmp capable gcc"
-		fi
-		FORTRAN_NEED_OPENMP=1
-	fi
-}
-
-src_prepare() {
-	sed \
-		-e '/__GNUC__/s:== 4:>= 4:g' \
-		-i include/openbabel/shared_ptr.h || die
-	cmake-utils_src_prepare
-}
-
-src_configure() {
-	use wxwidgets && need-wxwidgets unicode
-	local mycmakeargs=(
-		-DOPENBABEL_USE_SYSTEM_INCHI=ON
-		-DOPENMP=$(usex openmp)
-		-DBUILD_GUI=$(usex wxwidgets)
-	)
-
-	cmake-utils_src_configure
-}
-
-src_install() {
-	docinto html
-	dodoc doc/{*.html,*.png}
-	if use doc ; then
-		docinto html/API
-		dodoc -r doc/API/html/*
-	fi
-
-	cmake-utils_src_install
-}
-
-src_test() {
-	local mycmakeargs=(
-		-DOPENBABEL_USE_SYSTEM_INCHI=ON
-		-DPYTHON_EXECUTABLE=false
-		-DOPENMP=$(usex openmp)
-		-DBUILD_GUI=$(usex wxwidgets)
-		-DTESTS=$(usex test)
-	)
-
-	cmake-utils_src_configure
-	cmake-utils_src_compile
-	cmake-utils_src_test -E py
-}
-
-pkg_postinst() {
-	optfeature "perl support" sci-chemistry/openbabel-perl
-	optfeature "python support" sci-chemistry/openbabel-python
-}
diff --git a/sci-chemistry/pymol/Manifest b/sci-chemistry/pymol/Manifest
index cf7255238d53..4761fc48e3df 100644
--- a/sci-chemistry/pymol/Manifest
+++ b/sci-chemistry/pymol/Manifest
@@ -1,4 +1,5 @@
+AUX pymol-2.4.0-fix_bug119.patch 1078 BLAKE2B 78ed2953dcb20197de0a06c2c9c4c9f59be79cecbedfc910e7e530e5ad58452aab0da8540f4a4737023a3d56eba51530dfb1f2dfd59cdaf91192b6cd90383610 SHA512 ff4adb6de9c03f165e062698fe6359ab187ccf7cccba05c2e90363b44a53e5d4371e4942f21f26dd89ca8d1b7f9865f48e18f7d9a0214a5c6f453bee0ab49bb7
 DIST pymol-1.8.4.0.png.xz 19528 BLAKE2B f3d23d4cedca3d8bb96b20646a548da4be570697e3346a11b01c5c3599b536ba4697be08472dfa8a4f6533167defc1a37a1de332931a73857319cb28fd42cd2b SHA512 40bb0d3f226476f6e047b5361956aad955232a97641474765eaa5204f0539aee3810e0266213618a45364f9f31f6eb18380b17e0c79f64065f7b62a9016caa7c
 DIST pymol-2.4.0.tar.gz 10552539 BLAKE2B 34e31dce99c1e838b00389c3d7c29657534dd037349769bd6c8cb17028cfaaa856d5729760d3768fd43f61086cac30749a864fb4156c14eda07f9027430f0523 SHA512 2b19294197d58a808bf7bb7fa9f829c2ec582ba47a4380783a2b1eedda2ce4118cd398e01885db8c449e7fd5e4c08a1c40508e679ef42d8e183a6a52b031c02a
-EBUILD pymol-2.4.0.ebuild 3069 BLAKE2B 6395802d07ae931736745234b0c8efc9315c53e04056e6b64186e9298a6f8775bad5eb10424d6af22461ab025380135236af3b1d7274ff496e75c41965c9201b SHA512 212fc2bc066624fdac01bd246c7dbdbdb68ca49a03d18dedb0ea9889e90411f98e5ff1e69eb4c94c134ff13b6c17be6ecf50cf1d431f8ab1ba73c22bead3739c
+EBUILD pymol-2.4.0-r1.ebuild 3109 BLAKE2B f377236495edb43704594d376ec205ec54cba3aa7caa20ca8d2b811f085ff6e9f20a57973e6e2bf2c5922c93ff117a641cfa59076cff9bee3da8ff86cabdb97c SHA512 f353f5727daba497f8f9ba4028fc1ba69fee551385fd847c4117676ffbfebcc9bfa96aa08d596b8e587eb03bf80e28ae641e1ac3d5a47ad5068194e87bddcfd3
 MISC metadata.xml 439 BLAKE2B 68df7dfc8ca3d4d4b18b419532bade69491f2e9362f10ae2397c804132b7fc9cd08dcf9703c0a89c44588c570e0c0c1bb9bffb7394d51faf1283142dbc5f70b3 SHA512 f5a3eded9b12fa715ba2e6e10b41c75d9bd823ca0dd40acbffc3f5bfc4b36c687f720b1a4e119b4540a31faf849985778cbd72b0b2cd35af8c52ca0f808d71e4
diff --git a/sci-chemistry/pymol/files/pymol-2.4.0-fix_bug119.patch b/sci-chemistry/pymol/files/pymol-2.4.0-fix_bug119.patch
new file mode 100644
index 000000000000..62512053fd71
--- /dev/null
+++ b/sci-chemistry/pymol/files/pymol-2.4.0-fix_bug119.patch
@@ -0,0 +1,34 @@
+From 885891cf60371674406cdff16b395e25cc13d8ae Mon Sep 17 00:00:00 2001
+From: Sebastian Keller <sebastian-keller@gmx.de>
+Date: Tue, 28 Jul 2020 22:50:53 +0200
+Subject: [PATCH] Don't drop the last model when updating the selector table
+
+The last assigned model in the Obj vector was at position modelCnt.
+Resizing the vector to modelCnt removes the last model, which later
+results in a crash when trying to access it.
+
+See https://github.com/schrodinger/pymol-open-source/issues/119
+---
+ layer3/Selector.cpp | 2 +-
+ 1 file changed, 1 insertion(+), 1 deletion(-)
+
+diff --git a/layer3/Selector.cpp b/layer3/Selector.cpp
+index 546725b..637cd60 100644
+--- a/layer3/Selector.cpp
++++ b/layer3/Selector.cpp
+@@ -7284,11 +7284,11 @@ static sele_array_t SelectorUpdateTableSingleObject(PyMOLGlobals * G, ObjectMole
+           result[obj->SeleBase + at] = tag;
+         }
+       }
+     }
+   }
+-  I->Obj.resize(modelCnt);
++  I->Obj.resize(modelCnt + 1);
+   I->Table.resize(c);
+ 
+   PRINTFD(G, FB_Selector)
+     "SelectorUpdateTableSingleObject-Debug: leaving...\n" ENDFD;
+ 
+--
+libgit2 1.0.1
+
diff --git a/sci-chemistry/pymol/pymol-2.4.0.ebuild b/sci-chemistry/pymol/pymol-2.4.0-r1.ebuild
index 5dd5d436776d..a21a210f478f 100644
--- a/sci-chemistry/pymol/pymol-2.4.0.ebuild
+++ b/sci-chemistry/pymol/pymol-2.4.0-r1.ebuild
@@ -3,10 +3,10 @@
 
 EAPI=7
 
-PYTHON_COMPAT=( python3_{6,7,8,9} )
+PYTHON_COMPAT=( python3_{6..9} )
 DISTUTILS_USE_SETUPTOOLS=no
 
-inherit distutils-r1 desktop optfeature flag-o-matic xdg-utils
+inherit desktop optfeature flag-o-matic xdg distutils-r1
 
 DESCRIPTION="A Python-extensible molecular graphics system"
 HOMEPAGE="https://www.pymol.org/"
@@ -18,7 +18,7 @@ RESTRICT="mirror"
 LICENSE="PSF-2.2"
 SLOT="0"
 KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos"
-IUSE="web"
+IUSE="+netcdf web"
 
 DEPEND="
 	dev-libs/msgpack[cxx]
@@ -33,6 +33,7 @@ DEPEND="
 	media-libs/libpng:0=
 	media-video/mpeg-tools
 	sys-libs/zlib
+	netcdf? ( sci-libs/netcdf:0= )
 "
 RDEPEND="${DEPEND}
 	sci-chemistry/chemical-mime-data
@@ -40,11 +41,15 @@ RDEPEND="${DEPEND}
 
 S="${WORKDIR}"/${PN}-open-source-${PV}
 
+PATCHES=(
+	# https://github.com/schrodinger/pymol-open-source/issues/119
+	"${FILESDIR}/${P}-fix_bug119.patch"
+)
+
 python_prepare_all() {
 	sed \
 		-e "s:\"/usr:\"${EPREFIX}/usr:g" \
 		-e "/ext_comp_args.*+=/s:\[.*\]$:\[\]:g" \
-		-e "/import/s:argparse:argparseX:g" \
 		-i setup.py || die
 
 	sed \
@@ -57,6 +62,8 @@ python_prepare_all() {
 
 	append-cxxflags -std=c++0x
 
+	use !netcdf && mydistutilsargs=( --no-vmd-plugins )
+
 	distutils-r1_python_prepare_all
 }
 
@@ -104,12 +111,6 @@ python_install_all() {
 }
 
 pkg_postinst() {
-	xdg_desktop_database_update
-	xdg_mimeinfo_database_update
+	xdg_pkg_postinst
 	optfeature "Electrostatic calculations" sci-chemistry/apbs sci-chemistry/pdb2pqr
 }
-
-pkg_postrm() {
-	xdg_desktop_database_update
-	xdg_mimeinfo_database_update
-}
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index 26967fd302c5..fad9fe440621 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -1,38 +1,14 @@
-DIST votca-csg-1.4.1.tar.gz 347702 BLAKE2B 8c98804bafd75148fa72a9e119d4448ab9b04fb6f305e1e162a18013871d03778873a50670ce06bb218fc063f51ad67efc4a182c2d7bb46f91b59e30181b71d6 SHA512 87f2798c9b5f2d82ae1c158238f7a3b7007c7ceb7ce82503f0b002f605f2cc0b5ca4c8ef24fab571efae63a81e7a60bc476b5433962c239de4f5d42bae3c10ea
-DIST votca-csg-1.4.tar.gz 346527 BLAKE2B 8f0a41f9aa9fd865e2e544d5fd587d93d631edc2dabab8edfc3461582da2e0401a266a42be1c0f1e6647502cdcccee55b5bba891aa156394012b8b5e1b06f7e8 SHA512 26318644c7af2dfa1b81242b27ffac98f2180c3a1f05581bc50a00f644cec4b19ffbaf41c9d941a4714171b56ae93fe41f1a663cd0593ae2b0be2da379119d9b
 DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd SHA512 3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c
-DIST votca-csg-1.5.tar.gz 429164 BLAKE2B da04bd9ce8e879e9a961006256e03d160fa49fe77aa2f1eff0986b338296b04137bb087ecfabb7f2fc855b0ccd83dc4ddddfd65c43303bf5f2eef0519d27b0ec SHA512 c5a77ded3c9b2582494bea55b464689d566d4155713af823dccc6999f98438444d51fae3948144f82c2aaf3914eee740fe21e8828af689d37ab0b5ffea0605fa
-DIST votca-csg-1.6.1.tar.gz 474044 BLAKE2B 36ededfffe7af5b87b2a031f69afbb9cc727af9454466163312e48c23719f6fe3cb727de96c419ae6e7d4901576013bd76f84d8e7e394cc65df4d83bd1ce30bb SHA512 b8f0f1bf2ca57ee9e2050b4a76e1d725ccb0908314886415f36d4e4554953b4e1c93f7c05502afb77f9b7b5ef3059ebbf7f223b965ba72ae45736798fa2e6ad9
-DIST votca-csg-1.6.2.tar.gz 522982 BLAKE2B e0376e04e7baabaa45cab2cc87ff3d7574a35a4a50d87763bb42232eb6f110904b9fb5cdee0a8f2b4057a441a8ca5e276a8d44e14ec3609301832c2ed18cfd94 SHA512 e1d88cc9d18718f323355736afaf309940234001abb39414dd4990f1ff231ef3e8f71d51c78929c422c296b96f304fa17f6c9671071148ff1446bdc1eb442708
-DIST votca-csg-1.6.3.tar.gz 523225 BLAKE2B 4edb53515957f86f272c0bfbef2d72086432665d97fec4bda6011aaf732a5878c2d85e23d15ac24e5051ae3d11328799b5a0d76cf5c13a1202e11be10fe16b0b SHA512 7804d17f5c79ab6420653e1f1007539edb8c22dab47b0a9c776d726c9ac955ae2e3740bcfa171d9a347b074692be81499329a54e9dcfa53a173a7be082739525
+DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9 SHA512 4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac
 DIST votca-csg-1.6.tar.gz 464175 BLAKE2B 1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b SHA512 76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe
-DIST votca-csg-1.6_rc1.tar.gz 479265 BLAKE2B c4ba3c81eefd375eea6f8c0b1cd60f9cc80898fb7e8e811ecc286f06d94bd4316edfca277649ec3f7f8b751b2f2928ca2dfe61cc3b1c3060a324ea783c62003f SHA512 6622648ddc3308ca2f8e98d6dbcd28e33a4e0fb44d96ef94ebcaa2e87e5ba3ca2ab83dcc1de4fd0803dbc20ba7192f5fdd2c935b364ed4e2122b5948c10d4936
-DIST votca-csg-manual-1.4.1.pdf 1282641 BLAKE2B 370b7c8997649555fd2360b999cf381c340a74c3747afda23d0e9d346367cc6d14d4e9a0e9ac82184945427d30050dd623dd1b6d8218c6ff3d2f17331987aaae SHA512 e89f41af05eaeb9ea499e8625cc98e2632ec647ec2d8c9c9052dcd4d2935d082b29b51495514e3e06e73ce42b8cda7017fc523a013569378e2bc86bf88ad32d4
-DIST votca-csg-manual-1.4.pdf 1281983 BLAKE2B 5659c2e327ba7bb00fac15adfb578288d546b509366863f593776a62dd3064662535d4fd525f1063f5ccaf47446822f13fefd7f66aa9d68cd1a4a7c99d66a790 SHA512 2e1f4a4375d83df9bd357d4d17e79d26a3a31c9177f008de86721427ffc6f43a5000ec840691108b52a8aecf962321ba6363cd975c7445d7230ee5b0b151b3fa
 DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B 29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d SHA512 7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642
-DIST votca-csg-manual-1.5.pdf 1273566 BLAKE2B edfa2adb942d968cf79499e89342b7aaab64edfbfb6e02f76a66201df0920a58acc17bf4e2e4846d104519df163223c27f283cc5798ec7b64d9317a7728ff8c4 SHA512 da298ab0c27000ccf7fb5793c4252c4e17a969709db2649a5acb56af6208b954312c46a2ea8399cdb879b699e72a0ded0b2fe1bcd26431c6625f36b09c0267a5
-DIST votca-csg-manual-1.6.1.pdf 1248350 BLAKE2B d4433974e38785fb968bd357ed2914515b2a22a78d6417597265bb1420b5af8b7b9849533a5faba571bcf635eff8385b244b2252bf7a20d3adb9318cd7115b03 SHA512 d627a9c7a71b8ac5e8d6ca109f0ea56978706b0dd1408aaf10b75b4b52f40b6150063248477ca2b5922f603e8d582ddd4dec3de73b3991db5fbb7bf204d347a3
-DIST votca-csg-manual-1.6.2.pdf 1241907 BLAKE2B 9d51682099081cb8301eed10e7bb4f3afea89561626da5f3b361939d8d9b4ed15bb49392074bc19c530d413f4913afbf4ce612ee62e0e4d22c30f856a2019cbb SHA512 a85094bfa9ae2fcef52f42af162eb1a94ed30de9d7785aac03d7591177f6982dd315874566ce2671df508a3139ce8816c6becf0e0c1d0bfb9b675063810eb3e7
-DIST votca-csg-manual-1.6.3.pdf 1242192 BLAKE2B 18097cd949b1c874b41b9e0df0ae3815027a5d7fe3d7a3b236ae2aacb269106265e9467a4d78dfefd6f51bcd514727d88500e43d759df0d23f76644833d4b2f7 SHA512 a631670100dd1f26f2fa815b714dc51c7551f2d92d2072af210778cc380bfdcbc70d01c0a47b88b0ea351d73a5fd334db1da8463d21c933d7af3d7af3b10ccc2
+DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B 003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e SHA512 36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690
 DIST votca-csg-manual-1.6.pdf 1248178 BLAKE2B 5213d55787041db81fe8563febbf130db6aed9233e569039b66d69cfb173131353d45bef824640ee7b0a3fed7821ede4d5a6ce6ffc14d1548499317afdc0248a SHA512 e91d4b8397b67808c9671b9adbaad41fd9a0ede90066e220839d86f21a9bbcd4e433534faf1dfbca106d55af5a6cce0425a5bdfa3eb30ebe14469594da0129ca
-DIST votca-csg-manual-1.6_rc1.pdf 1248403 BLAKE2B b702eff4a36d27d592147f115f4e9080cbf580b6401141a14865395f0cb927c35f60035f92724e71e5edadbbe3e317f93989eb6f2e0a0e7b9f685e56851546d2 SHA512 2514bd2fee4bae787a3f8c07d1f1d90061a2b503255efe0730ed164bb002c7e7ad7309ccd3b5b931994f70b7ed99afde28955d9ea1b34c86df21bfcb8bfb39bb
-DIST votca-csg-tutorials-1.4.1.tar.gz 6339417 BLAKE2B e9acf8e421f6fce4d97be2d51fb559979c6fd3e6b042525cedf32cadeab1dddc5b1aaf80bbbfd387da3bce71672759c2e84d317c789f616dc71834c72a581fff SHA512 896ec9d6b2537a06301046a74c1957708eb96d9854b3ec855fe3457208c142f6fb26a03e323a2644862a1efd0030fcceb1189f73655b984462f0f7127a02de90
-DIST votca-csg-tutorials-1.4.tar.gz 6348417 BLAKE2B 612fcbc4457a57be74e5306bf86d6e031ea8cd55ebe3f4d246c0876e272e6e6dd535c8dd2f24f7593cb1ef31fbc18111269d29cb69120368ddef7b1b7d25825c SHA512 f3eb28a133ebc04eed07f84d5962943cb9c547c1099638127f15e0015dfdf3f0b25aab4c97d009d6040bf1d69d408cc178edd6e803d33bf1d831e12dca0671c7
 DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B c6de6084fbb1d2c4ac2ce75d01a1153eabc63386063de800ff2dc6b483b0568191e7f06ddcb8be46123224ccfd3a97f5fb4e7cd603c0ee99a8636d7143f6c701 SHA512 f2e709ae31d914fe12a4ce37b5019deb878b15ade14972f2a8204bec8970ba2c8946b71b94a5bfd6f7569e41173bfbc75275ea09cbee4358ad1de0e84751049c
-DIST votca-csg-tutorials-1.5.tar.gz 5947774 BLAKE2B d497f1e9282c4cacc070d09d901ad8f5d3042ab3a279aa4d1c3bcd3184dc22231d1f2a75ba0ffe245e6f6300fb740e562b24c8039594ec01307491a6068b55f6 SHA512 00447380fa887178ad02cc4e1425a04fc2fd2babdd4790d387fcd4aa2734dc14dacf4b4444d420937aa0a5b53e90741b44f9a4bca31bdcdae10fbfb8323e9848
-DIST votca-csg-tutorials-1.6.1.tar.gz 5945945 BLAKE2B 18ea7e406acf70e37049b1f8676551d96b20825fba25bb9c1e674b0f94f5ee41bd74ce77619880dfb2e2f1f8fb0b40de9ce8a5e9e9d8470639af057376a19632 SHA512 82d60fcea4859e1caa6138147848427dbdb1ddcf4e0713b6f2d50cd624ceacdbce1ceb8e98fb85d079d8d9de02f501ec8c9236243fe75761e44486f27207249b
-DIST votca-csg-tutorials-1.6.2.tar.gz 5945110 BLAKE2B 2871c89c763c8624deb877f90da10cd2021ec5b10a0d8473c4523b70a179247ad2e809aa5b0aab7c36a324d929b55f3b2070822914043382424b87fbf34ef05b SHA512 40f377a824f6c10be759adf3e1b87dbc5392b00e4a377ba04d998f96aa9b7ceb986c2e5cfac16ea3047f08d2d76deb7e9f3aadfba794f58b8f131861f7a7ff04
-DIST votca-csg-tutorials-1.6.3.tar.gz 5944550 BLAKE2B ab84819cd567f60d05fe4368b077541fe4804dc91040354b99a37aa23831af26047b87d2b987a8eb20c4c588fd4fc099302493ce77b4df70f436fc372ec25a4a SHA512 a05b56272b293b5ec7ea5d413f4d34e023ac3f2fe018548891be71ba925181c05ea758b73a0264ee76626582084e7e9f8972dba66ceed31642d3f35796354b99
+DIST votca-csg-tutorials-1.6.4.tar.gz 5944389 BLAKE2B 66f1d4947bb28ec602250226ad2c08cc02278a90776acbcadca2df3078361435fb2353ee0fa299d0d19697d36682f20aab709d45539d5ac7e7070942601ebc3f SHA512 7e40037f2e70c861fd7f5c63806c17ad56672a340a8795fa745414940c55f593bef32b9f6b9050400131ed9e66aa927149e9d324a1c264364d8504baf1921e28
 DIST votca-csg-tutorials-1.6.tar.gz 5946764 BLAKE2B 018bd00c86c0a85baf35afd2ea4206c96dee8f948dcbf331b53e6f685b69bf2c909731b15ba3261c86cee9e1960ec5cfa7b2ee0c6dcfabbbbc110789840184ad SHA512 36d3a66c19d230f2002170851345da7063aeef1f29841945b8a182f73922617823815dde5d7289fb0f80e771ac03780adacdf95af4814235edbf69a4772b3696
-DIST votca-csg-tutorials-1.6_rc1.tar.gz 5946622 BLAKE2B 7bf0c7083ca7b148d16f7b77b9f785c11b16a8124a5435522e8c065859f4c2ae560c622f04021918b2683c9955d5a1b674c84fad179319f5fedb86616bbe24e7 SHA512 1c89f95944f8277a995d9d6d7dacfae2ae1be54a9a7b19c53d3464a4bdf5da0556e862033ba0a5f442b1ee5bd79bafd478655856fe266f4285c98e14512ce259
-EBUILD votca-csg-1.4.1.ebuild 3193 BLAKE2B c4e62c568fc5cd9a709186030f4e52a08305faf2f779bb02daea6293cc4800ed50c611a36b3550ea86bc9ce4c494243a8c8e6d77eaad057775fd8f6995c7f6a8 SHA512 df72c1d78a60ee23dce18edd2fa9de07d67158a925302f6f8a676bcdd7e0554337bc69bf0d98257feb3826e017b561c6ee33052d1074e396b98706edfbd3526e
-EBUILD votca-csg-1.4.ebuild 3189 BLAKE2B b1d5a30ee33b8187c00ef15ff021ca45d07695566984b36f6fc444861ee46ba4aef1f770b14aab1415bf45382a82d1790c0d901e654ef41f8985cfeff7edd018 SHA512 be095077970b60366e49ab35813e5ea3c814dd505d565c822945d0a380cc969b6af31321b9b988bdb5e8c662d0771820035a2e284fd6a8e45652601849353e7f
 EBUILD votca-csg-1.5.1.ebuild 2541 BLAKE2B 62024d09eff402349781c5bc900b72dbae173e101bae34550212b961e1758731a335fc749438fe5f5d3b5de2579500bff99fe27faa10a6c2b91ccc91c1cc8994 SHA512 cadd72e54212a9b31ad6eb4a093e583e264cddca7e9014b646cce06e3d0fc1f9d4b38d64948c983a30e422414b9f2ad02081d67a1c243efae7061bc473dfeed3
-EBUILD votca-csg-1.5.ebuild 2539 BLAKE2B c3221e52ddd550b87268490bc30af2e658a6092eaa53f885c4991affdbe9183b3f8c9c71c882695397c8eac5c4334d0ee5b62854e2dbffdb3bbbecc4118ad6e7 SHA512 5afdde961a325e5297df961d515f6c1a192fecace562ac2a38b02327bd0c4768118d94005471ba9413e28eded6ebf41ec107690881816bfbc3907433b362e22c
-EBUILD votca-csg-1.6.1.ebuild 2358 BLAKE2B 1b0af39f7018a523d0c0f67e998803e436897c57daa1a9af4036b661ea31edc4d8ee579afce125314c075775021ce93205b70f11ec9f0cffafb98be5efd5a1a8 SHA512 4cbdee10bbdfdcb7c5694ade0514125ef9e229c0bc4436d546e20400d6ff603d1e12d06a6baec438f9701073d75f758b4e41ba1bbe1bce947278fab87d4b826f
-EBUILD votca-csg-1.6.2.ebuild 2329 BLAKE2B 0eae953507de3ee0bccb59d4a8edc75892d866abc785e47d51d2afd728573cf439bdc84e337d21d7611cbaeb8f9dc470dcc1c2d1f5b009c11bcdf7675bf746d9 SHA512 8ce743b3015275d165a7ce62ab6f0bc7a750630f241f218bb0ca40f24962fc29672cdd935072b5424e53d8d4ba7e9be943c0dd0cbe955ae107847024471e5649
-EBUILD votca-csg-1.6.3.ebuild 2329 BLAKE2B 0eae953507de3ee0bccb59d4a8edc75892d866abc785e47d51d2afd728573cf439bdc84e337d21d7611cbaeb8f9dc470dcc1c2d1f5b009c11bcdf7675bf746d9 SHA512 8ce743b3015275d165a7ce62ab6f0bc7a750630f241f218bb0ca40f24962fc29672cdd935072b5424e53d8d4ba7e9be943c0dd0cbe955ae107847024471e5649
+EBUILD votca-csg-1.6.4.ebuild 2329 BLAKE2B 0eae953507de3ee0bccb59d4a8edc75892d866abc785e47d51d2afd728573cf439bdc84e337d21d7611cbaeb8f9dc470dcc1c2d1f5b009c11bcdf7675bf746d9 SHA512 8ce743b3015275d165a7ce62ab6f0bc7a750630f241f218bb0ca40f24962fc29672cdd935072b5424e53d8d4ba7e9be943c0dd0cbe955ae107847024471e5649
 EBUILD votca-csg-1.6.ebuild 2354 BLAKE2B 68340bc852f7413068cc6deab2b22f1bf565987306bcc5a454867885a1374d8272155e96fbc46e118c6e74293c9df603f3ae8088a5d9456e4da95e82ba71bac3 SHA512 ade21a87cab6fa83197189c009b96ac1771d5459417fd9db9aebe70a26d5394e1385bd8e174fdee0f84a50327d70fdb97977ad3875f924f3b9f8d7495f83bfab
-EBUILD votca-csg-1.6_rc1.ebuild 2347 BLAKE2B fab194115b8fe4fcd11ce9d5d38a8dd05801adec7c7648626230ec58b9c4c66594b91195bdb2be340fb71d03fe4a221edf9aad2f292722529d5d7972c615ac56 SHA512 9d730cd084ea68662872c4fa008a7e7fbc0cea6d6cd3dcba2dc8cb92d6dc86b4692544ca63a1eb618788ca629ac7007bf9a22f038438d4ae065c2d550868d21a
-EBUILD votca-csg-9999.ebuild 2335 BLAKE2B acbd373fab2c37762e54f8165bdae3425f53bb17342832c2a125db42a07cb67b2ede389dcc7309dd1354f887745201f8931848b5f6ebe09c5e91dfa0ff997e7a SHA512 c701e5467f002a562c28fc896094624da5e2a627dba8486bf231062e9734160acea65e90a140989934ba9f106c9452624d3262bb468d37dae26d83e50b9141d2
+EBUILD votca-csg-9999.ebuild 2058 BLAKE2B 1c3b699d3d20ab6db507438b5ccbc66e8ad4d32071480a141dc8ac845de101b5b7f6a1feff3f5cec6e4586e542dc5c20188c085671a7625ca4e9f488a3441ebf SHA512 1a5807f1a6e1d584d2523d908e691d2c44f9f79f4c21a59fb1885b35eb88510c13650a87ea3fc0b56839cbeaaec6e6c203aeeadbb3ecaea55093892cc47c9875
 MISC metadata.xml 676 BLAKE2B b3f2e43f5cb505876216b0a329410c9cef1b44a9bbd7e1c61faa4acd00dbe87ea0cebb00ed78dc00b9e1d2b08b95e3c40d25fecc0738c992a3f933e430f94e2b SHA512 14ecd498eeeed1576923d8da9bc5dc98e47c1d162173b7f2419ad367fa84e227555bd0365709be8a456dc5388ea6fa6734fa7df3c82fd4efcd1cf3460c7e12a1
diff --git a/sci-chemistry/votca-csg/votca-csg-1.4.1.ebuild b/sci-chemistry/votca-csg/votca-csg-1.4.1.ebuild
deleted file mode 100644
index be4888c8858f..000000000000
--- a/sci-chemistry/votca-csg/votca-csg-1.4.1.ebuild
+++ /dev/null
@@ -1,113 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
-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"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="~amd64 ~x86"
-fi
-
-DESCRIPTION="Votca coarse-graining engine"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}
-	gromacs? ( <sci-chemistry/gromacs-2019_beta1:= )
-	hdf5? ( sci-libs/hdf5 )
-	dev-lang/perl
-	app-shells/bash:*"
-
-DEPEND="${RDEPEND}
-	doc? (
-		app-doc/doxygen[dot]
-		dev-texlive/texlive-latexextra
-		virtual/latex-base
-		dev-tex/pgf
-	)
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use doc; then
-			EGIT_REPO_URI="https://github.com/${PN/-//}-manual.git"
-			EGIT_BRANCH="master"
-			EGIT_CHECKOUT_DIR="${WORKDIR}/${PN}-manual"\
-				git-r3_src_unpack
-		fi
-		if use examples; then
-			EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git"
-			EGIT_BRANCH="master"
-			EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_configure() {
-	mycmakeargs=(
-		-DWITH_GMX=$(usex gromacs)
-		-DWITH_H5MD=$(usex hdf5)
-		-DWITH_RC_FILES=OFF
-		-DLIB=$(get_libdir)
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	newbashcomp scripts/csg-completion.bash csg_call
-	for i in "${ED}"/usr/bin/csg_*; do
-		[[ ${i} = *csg_call ]] && continue
-		bashcomp_alias csg_call "${i##*/}"
-	done
-	if use doc; then
-		if [[ ${PV} = *9999* ]]; then
-			#we need to do that here, because we need an installed version of csg to build the manual
-			[[ ${CHOST} = *-darwin* ]] && \
-				emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" DYLD_LIBRARY_PATH="${DYLD_LIBRARY_PATH}${DYLD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)" \
-				|| emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" LD_LIBRARY_PATH="${LD_LIBRARY_PATH}${LD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)"
-			newdoc "${WORKDIR}/${PN}"-manual/manual.pdf "${PN}-manual-${PV}.pdf"
-		else
-			dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-		fi
-		cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
-		dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
-	fi
-	if use examples; then
-		insinto "/usr/share/doc/${PF}/tutorials"
-		docompress -x "/usr/share/doc/${PF}/tutorials"
-		rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake*
-		doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/*
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
-	einfo "https://dx.doi.org/10.1021/ct900369w"
-	einfo
-}
diff --git a/sci-chemistry/votca-csg/votca-csg-1.4.ebuild b/sci-chemistry/votca-csg/votca-csg-1.4.ebuild
deleted file mode 100644
index 7d5481d94516..000000000000
--- a/sci-chemistry/votca-csg/votca-csg-1.4.ebuild
+++ /dev/null
@@ -1,113 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
-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"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="amd64 x86"
-fi
-
-DESCRIPTION="Votca coarse-graining engine"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}
-	gromacs? ( <sci-chemistry/gromacs-2019_beta1:= )
-	hdf5? ( sci-libs/hdf5 )
-	dev-lang/perl
-	app-shells/bash:*"
-
-DEPEND="${RDEPEND}
-	doc? (
-		app-doc/doxygen[dot]
-		dev-texlive/texlive-latexextra
-		virtual/latex-base
-		dev-tex/pgf
-	)
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use doc; then
-			EGIT_REPO_URI="https://github.com/${PN/-//}-manual.git"
-			EGIT_BRANCH="master"
-			EGIT_CHECKOUT_DIR="${WORKDIR}/${PN}-manual"\
-				git-r3_src_unpack
-		fi
-		if use examples; then
-			EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git"
-			EGIT_BRANCH="master"
-			EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_configure() {
-	mycmakeargs=(
-		-DWITH_GMX=$(usex gromacs)
-		-DWITH_H5MD=$(usex hdf5)
-		-DWITH_RC_FILES=OFF
-		-DLIB=$(get_libdir)
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	newbashcomp scripts/csg-completion.bash csg_call
-	for i in "${ED}"/usr/bin/csg_*; do
-		[[ ${i} = *csg_call ]] && continue
-		bashcomp_alias csg_call "${i##*/}"
-	done
-	if use doc; then
-		if [[ ${PV} = *9999* ]]; then
-			#we need to do that here, because we need an installed version of csg to build the manual
-			[[ ${CHOST} = *-darwin* ]] && \
-				emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" DYLD_LIBRARY_PATH="${DYLD_LIBRARY_PATH}${DYLD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)" \
-				|| emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" LD_LIBRARY_PATH="${LD_LIBRARY_PATH}${LD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)"
-			newdoc "${WORKDIR}/${PN}"-manual/manual.pdf "${PN}-manual-${PV}.pdf"
-		else
-			dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-		fi
-		cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
-		dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
-	fi
-	if use examples; then
-		insinto "/usr/share/doc/${PF}/tutorials"
-		docompress -x "/usr/share/doc/${PF}/tutorials"
-		rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake*
-		doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/*
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
-	einfo "https://dx.doi.org/10.1021/ct900369w"
-	einfo
-}
diff --git a/sci-chemistry/votca-csg/votca-csg-1.5.ebuild b/sci-chemistry/votca-csg/votca-csg-1.5.ebuild
deleted file mode 100644
index 546fcb99ab73..000000000000
--- a/sci-chemistry/votca-csg/votca-csg-1.5.ebuild
+++ /dev/null
@@ -1,100 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
-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"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="amd64"
-	PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
-fi
-
-DESCRIPTION="Votca coarse-graining engine"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}
-	>=dev-cpp/eigen-3.3
-	gromacs? ( <sci-chemistry/gromacs-2020:= )
-	hdf5? ( sci-libs/hdf5 )
-	dev-lang/perl
-	app-shells/bash:*"
-
-DEPEND="${RDEPEND}
-	doc? (
-		app-doc/doxygen[dot]
-		dev-texlive/texlive-latexextra
-		virtual/latex-base
-		dev-tex/pgf
-	)
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use examples; then
-			EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git"
-			EGIT_BRANCH="master"
-			EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_configure() {
-	mycmakeargs=(
-		-DWITH_GMX=$(usex gromacs)
-		-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5')
-		-DWITH_RC_FILES=OFF
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	newbashcomp scripts/csg-completion.bash csg_call
-	for i in "${ED}"/usr/bin/csg_*; do
-		[[ ${i} = *csg_call ]] && continue
-		bashcomp_alias csg_call "${i##*/}"
-	done
-	if use doc; then
-		[[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-		cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
-		dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
-	fi
-	if use examples; then
-		insinto "/usr/share/doc/${PF}/tutorials"
-		docompress -x "/usr/share/doc/${PF}/tutorials"
-		rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake*
-		doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/*
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
-	einfo "https://dx.doi.org/10.1021/ct900369w"
-	einfo
-}
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild
deleted file mode 100644
index 28e577873597..000000000000
--- a/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild
+++ /dev/null
@@ -1,92 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
-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"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="~amd64 ~x86"
-	PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
-fi
-
-DESCRIPTION="Votca coarse-graining engine"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}
-	>=dev-cpp/eigen-3.3
-	gromacs? ( sci-chemistry/gromacs:= )
-	hdf5? ( sci-libs/hdf5 )
-	dev-lang/perl
-	app-shells/bash:*"
-
-DEPEND="${RDEPEND}
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use examples; then
-			EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git"
-			EGIT_BRANCH="master"
-			EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_configure() {
-	mycmakeargs=(
-		-DWITH_GMX=$(usex gromacs)
-		-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5')
-		-DWITH_RC_FILES=OFF
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call
-	for i in "${ED}"/usr/bin/csg_*; do
-		[[ ${i} = *csg_call ]] && continue
-		bashcomp_alias csg_call "${i##*/}"
-	done
-	if use doc; then
-		[[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-	fi
-	if use examples; then
-		insinto "/usr/share/doc/${PF}/tutorials"
-		docompress -x "/usr/share/doc/${PF}/tutorials"
-		rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake*
-		doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/*
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
-	einfo "https://dx.doi.org/10.1021/ct900369w"
-	einfo
-}
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild
deleted file mode 100644
index 5ee29ea5b79f..000000000000
--- a/sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild
+++ /dev/null
@@ -1,92 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake multilib
-
-IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
-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"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS=""
-	PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
-fi
-
-DESCRIPTION="Votca coarse-graining engine"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}
-	>=dev-cpp/eigen-3.3
-	gromacs? ( sci-chemistry/gromacs:= )
-	hdf5? ( sci-libs/hdf5 )
-	dev-lang/perl
-	app-shells/bash:*"
-
-DEPEND="${RDEPEND}
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use examples; then
-			EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git"
-			EGIT_BRANCH="master"
-			EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_configure() {
-	mycmakeargs=(
-		-DWITH_GMX=$(usex gromacs)
-		-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5')
-		-DWITH_RC_FILES=OFF
-	)
-	cmake_src_configure
-}
-
-src_install() {
-	cmake_src_install
-	newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call
-	for i in "${ED}"/usr/bin/csg_*; do
-		[[ ${i} = *csg_call ]] && continue
-		bashcomp_alias csg_call "${i##*/}"
-	done
-	if use doc; then
-		[[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-	fi
-	if use examples; then
-		insinto "/usr/share/doc/${PF}/tutorials"
-		docompress -x "/usr/share/doc/${PF}/tutorials"
-		rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake*
-		doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/*
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
-	einfo "https://dx.doi.org/10.1021/ct900369w"
-	einfo
-}
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.2.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
index 5ee29ea5b79f..5ee29ea5b79f 100644
--- a/sci-chemistry/votca-csg/votca-csg-1.6.2.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6_rc1.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6_rc1.ebuild
deleted file mode 100644
index 30be4d702862..000000000000
--- a/sci-chemistry/votca-csg/votca-csg-1.6_rc1.ebuild
+++ /dev/null
@@ -1,92 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
-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"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS=""
-	PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
-fi
-
-DESCRIPTION="Votca coarse-graining engine"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}
-	>=dev-cpp/eigen-3.3
-	gromacs? ( sci-chemistry/gromacs:= )
-	hdf5? ( sci-libs/hdf5 )
-	dev-lang/perl
-	app-shells/bash:*"
-
-DEPEND="${RDEPEND}
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_unpack() {
-	if [[ ${PV} != *9999 ]]; then
-		default
-	else
-		git-r3_src_unpack
-		if use examples; then
-			EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git"
-			EGIT_BRANCH="master"
-			EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\
-				git-r3_src_unpack
-		fi
-	fi
-}
-
-src_configure() {
-	mycmakeargs=(
-		-DWITH_GMX=$(usex gromacs)
-		-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5')
-		-DWITH_RC_FILES=OFF
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call
-	for i in "${ED}"/usr/bin/csg_*; do
-		[[ ${i} = *csg_call ]] && continue
-		bashcomp_alias csg_call "${i##*/}"
-	done
-	if use doc; then
-		[[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-	fi
-	if use examples; then
-		insinto "/usr/share/doc/${PF}/tutorials"
-		docompress -x "/usr/share/doc/${PF}/tutorials"
-		rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake*
-		doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/*
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
-	einfo "https://dx.doi.org/10.1021/ct900369w"
-	einfo
-}
diff --git a/sci-chemistry/votca-csg/votca-csg-9999.ebuild b/sci-chemistry/votca-csg/votca-csg-9999.ebuild
index 0f23782e0f18..562ae3f8fdf8 100644
--- a/sci-chemistry/votca-csg/votca-csg-9999.ebuild
+++ b/sci-chemistry/votca-csg/votca-csg-9999.ebuild
@@ -8,10 +8,8 @@ CMAKE_MAKEFILE_GENERATOR="ninja"
 inherit bash-completion-r1 cmake multilib
 
 IUSE="doc examples extras +gromacs hdf5"
-PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
 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"
 	S="${WORKDIR}/${P#votca-}"
@@ -19,7 +17,6 @@ else
 	inherit git-r3
 	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
 	KEYWORDS=""
-	PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
 fi
 
 DESCRIPTION="Votca coarse-graining engine"
@@ -61,6 +58,7 @@ src_configure() {
 		-DWITH_GMX=$(usex gromacs)
 		-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5')
 		-DWITH_RC_FILES=OFF
+		-DBUILD_CSGAPPS=ON
 	)
 	cmake_src_configure
 }
@@ -72,9 +70,6 @@ src_install() {
 		[[ ${i} = *csg_call ]] && continue
 		bashcomp_alias csg_call "${i##*/}"
 	done
-	if use doc; then
-		[[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-	fi
 	if use examples; then
 		insinto "/usr/share/doc/${PF}/tutorials"
 		docompress -x "/usr/share/doc/${PF}/tutorials"
diff --git a/sci-chemistry/votca-csgapps/Manifest b/sci-chemistry/votca-csgapps/Manifest
index 5afc4cc9b915..cbab91319bb5 100644
--- a/sci-chemistry/votca-csgapps/Manifest
+++ b/sci-chemistry/votca-csgapps/Manifest
@@ -1,20 +1,7 @@
-DIST votca-csgapps-1.4.1.tar.gz 21066 BLAKE2B 8e1d25957b7c62d2182872de4d0c50c90fefdf699ec5e9e785916791e9cc06db2dbcbbdbaf7afe6921e34179e12dfa2326eb9464261801e48177ec69126ae2bb SHA512 80881ac173b56b07825c484f98c598de8d74bb8a54b888f06cc3a20d15670b49059e50adc210308e21ee4ea9038cf564c08d7ab33c4a43864acb1de97bc3fcef
-DIST votca-csgapps-1.4.tar.gz 21072 BLAKE2B 30c2f6692544741bfbec09efea2f68ae48cd4716e61e40d3da12a17ad941f2947cc6a8477229b80e420e217a95adff4152a07215e2e913e71736b61ba1ac226a SHA512 325c99606f17d7bb00e2cc3b1545f31dd4cf1fbc0d216f2da2c48e06b2011c9f99096643a6c6efd794a169de056f803f791c156afec4a73e41c58bc4ca1055f9
 DIST votca-csgapps-1.5.1.tar.gz 26006 BLAKE2B 8651978c15087fc7332fe229cfc33d8c4257faf46d72f7ac5fbaaf5f31133c4df3d97cae2b18730b5700e742c27e3db39696fdfe910ed884952ba0f832220c3d SHA512 4f83a46f16eb0a4cb9acc6c0d9523fa746dcf670107355c95fc02daa6ca91fb4f8d5e48bc920d8c13a9445390a25415f7217979903ea86f890df1d4704944c28
-DIST votca-csgapps-1.5.tar.gz 25975 BLAKE2B 185e759d658c6f763da2d26770766ec8ee05017b4c6a67e13915de04fbf2ecf268f2f800c5e18ef0f38c615340b0db163e886dc98a9395a69359f94dc8773f60 SHA512 20dda9d07ef2f33c9decff2766ece8f24cf2562993b4dfb7dd637d84325b835a6ecd30d34c5cfb9c428dbf72c2b5dfe9fd49d266182704b981db151c3c4ea2e4
-DIST votca-csgapps-1.6.1.tar.gz 20128 BLAKE2B 509f684b84e7ebb718fbcf5b48adc732dc8c6b9f6478269e243dda3c980a5d91a46208863ac6227a07d90f6e2ea4e5cf2b50a7b34b6dbe2567d9a95ede4ee1de SHA512 06e396c20990f7bb22ae8c888a36585b40a61280aa53a521c01128bbaadc1f449f85d4f41380ee3ce290defb64eca285be7dde1cd888f4cb69805695511a5b90
-DIST votca-csgapps-1.6.2.tar.gz 19549 BLAKE2B 8aad4ff143a2073b4d17a4af0766898882ed011be4de814b6dca3cb4c1776fbee925fb4fef4ba1fd20d3aa3097440caeaab7fddb68b35322b5123868e7e2fbea SHA512 f88f8ea41773b846ed7b3b910ad81c58a6dc1aabea5ae8ead030709c095e229b29443213854d358b4fa6518d8373b9a2acab741be2bbc33fec22d8f267f6cfe3
-DIST votca-csgapps-1.6.3.tar.gz 19588 BLAKE2B 2de9490325832cbd0611cc97c7fff9594d1bff281da22ea8f7e5f054361d50dfc38145a627042ef24e91ba9c37de62b6f9efcdd8bd170ee6c0190802fdbce57e SHA512 02215966ef9ea57089e9694cf0a1560f7a62e25dacbce80fea848e9d3d54a26be6174e6b4fe24ba7a6a13b675c0bdb5f407a7c30fc58a6b9c4bd826eb522f0b8
+DIST votca-csgapps-1.6.4.tar.gz 19589 BLAKE2B 90a20c3acef3254b412697dbb543c216d4546241c2f98d8b1e6c7fbd2de5dc5268965f1035843c6832579158843069c610ebbf3363d2e604a1c7c3dc82e3d8d2 SHA512 89ea658092e979c90b9f3d75a8dd9f8ec95278c26fafb30c31a23581dcd7a65e52c8c7696ef14da5821e283d16ab96880041b7b20c9097f99b2fc1eac4a38184
 DIST votca-csgapps-1.6.tar.gz 20130 BLAKE2B 0c34fba42a70f756043aae89f51b94cc0a9c9a85680ed78c56b4c05f834d94c74aff59e4adf6155e5fab81d057da58ec420d843532af57beeaa6e81f82432d92 SHA512 5a85abaf6b09a225604f33f2e0cfb774525159e9bce89efd7ebfc0c9c37342e472503ff51c3065be2a4b87e95671f55164c630477f404f94b0510a83e262352f
-DIST votca-csgapps-1.6_rc1.tar.gz 20138 BLAKE2B 9374911f761fd78f01721e8e10f3b9c14f2ba894735735e4d09f5e29eb1d1b69f4fa081699d7a93abfad2ebe55d6439edbb6db547618e6d2cfbaf7bbc8a79ca8 SHA512 153bd6e537175c9908739c60ce80830ebf57c0686f11b21fc541995cb5355d4a3f7f7ee7d1707bb85f5fc859bf260a3a167450175ffe8feb92044e8018be996b
-EBUILD votca-csgapps-1.4.1.ebuild 639 BLAKE2B 32d68dc16f3b593ab380920ab37b4a35a87104c2a722dd2e44c19517cb00fab641ba517740ee05e29d60cda5eb937d881496c27a447111accde300c057b997c1 SHA512 d5ce5a0b3f2427d96a3f1f06a9d7d7e7df4200fd0424e674ebe3afbe124bbb83e6c5ae453f8eaaffbf4d57824c1288bdff363783b3275f48fa95c4aaccc60808
-EBUILD votca-csgapps-1.4.ebuild 635 BLAKE2B 155166851472231b324139e665f2744e7d64346283eaeb71a4c7b3cedaf506dd87bd8624347bcdff0b09516d7936784540c5c25c8df3c48956a437f78f15f652 SHA512 bda6244c63577b60527b97d00180f3298f80840ae71511e8f7b15e731a853aee6d5792eb4a388b25e4651fa1855ef0ea3f43075a583a5c88d20a0ba3096c5833
 EBUILD votca-csgapps-1.5.1.ebuild 657 BLAKE2B 4df5ad5bb8b7d3ed5d315a0c5dc24f0c8c18fa24073dca338107930ccf6d0db68da29bc9319f0e4cc7c0e9afeedbf959af1568e44da8f112198fcd60da126608 SHA512 513b653829c1b4ea3213130017e4a5dd84e9e6474a3195049d6de5a5b6e953e74344205fa0fd68ec659231f9fd150e58692db602332ee4cfd88f5697044a11b7
-EBUILD votca-csgapps-1.5.ebuild 655 BLAKE2B 76fb0e0cf3f410a5f830f56d93393830358cf7bc7b0f661240385dc474982a508254b36fb1a57728e2103eef2174a03e90d2d37ca77ac72dc197273a59edabed SHA512 9d0324e90c8212db5f22400367abda792ca319c0314dd5fd82270816cb43d2ba1817fc68a951c04b5911654a66244a16bf47dfcd9b52aa820970fc45a33aab54
-EBUILD votca-csgapps-1.6.1.ebuild 665 BLAKE2B 929aa2c00a3546115635d21bf0d52a6dbc363af801c5ec1e6811b4852cf77518ed82f779f47fa3007c8ac80a9337a2b25d182cef391ee6e713180c0097156102 SHA512 ee4dc4a8d95cb27bd1d48f9514636aec0aeb60ad45abad127f1eb4b9ecbc040ff3ffb18519e2ec213acd37a40061fdf7996d9629cb5a54ace2798bd91d9dfdc8
-EBUILD votca-csgapps-1.6.2.ebuild 648 BLAKE2B da6c3308ce5587139c3d32f478b0b1aa14aee9049487c1d0313f5aaf136e50143c0bdc3ea15ba6decddb17490e300c408e0aedac148b9de3053eb7ff16d01972 SHA512 ab07c0f7c08f7f865da4cb58aafa11f8956c48a0ee135163e37674553ebe1b50713ea6e4c18fb15da798c9306c4f5dc197c6a1bf52268f48331eb34cb86ca1cc
-EBUILD votca-csgapps-1.6.3.ebuild 648 BLAKE2B da6c3308ce5587139c3d32f478b0b1aa14aee9049487c1d0313f5aaf136e50143c0bdc3ea15ba6decddb17490e300c408e0aedac148b9de3053eb7ff16d01972 SHA512 ab07c0f7c08f7f865da4cb58aafa11f8956c48a0ee135163e37674553ebe1b50713ea6e4c18fb15da798c9306c4f5dc197c6a1bf52268f48331eb34cb86ca1cc
+EBUILD votca-csgapps-1.6.4.ebuild 648 BLAKE2B da6c3308ce5587139c3d32f478b0b1aa14aee9049487c1d0313f5aaf136e50143c0bdc3ea15ba6decddb17490e300c408e0aedac148b9de3053eb7ff16d01972 SHA512 ab07c0f7c08f7f865da4cb58aafa11f8956c48a0ee135163e37674553ebe1b50713ea6e4c18fb15da798c9306c4f5dc197c6a1bf52268f48331eb34cb86ca1cc
 EBUILD votca-csgapps-1.6.ebuild 661 BLAKE2B abdcf94daa2dabd6c2c71fedc5516bc38db88ffb15d0c5f8f64240b5aceac41921a71c236a3a0438948d7bfce487a17c2b6829d9cb33160ec49e99f6b3cee1a0 SHA512 e1f9a8d86adedba7110ba55d4a4ead6b5293f8383c01a1208eef6351ef70f48245708b579c85bffb56bc6c0555784fd9ee356fbfbea1e59bfbe129656cd67b39
-EBUILD votca-csgapps-1.6_rc1.ebuild 654 BLAKE2B 173c922fad828f39e001a9bd1dc0b8acdb68ab288f6d59db69a908aedfa90b99ba55f2b690e1344a4c8f8d5d14b4e7da20afbae992d492122c6bc572f874411c SHA512 2c86849c861ecdc2a08c7e54e85f5ed61f1dfa04cde61f63720996407840f17768e8ca66ab23564c03cdb8fbc66b88d851b118680e6e3472d8cdf170d3c7175d
-EBUILD votca-csgapps-9999.ebuild 648 BLAKE2B da6c3308ce5587139c3d32f478b0b1aa14aee9049487c1d0313f5aaf136e50143c0bdc3ea15ba6decddb17490e300c408e0aedac148b9de3053eb7ff16d01972 SHA512 ab07c0f7c08f7f865da4cb58aafa11f8956c48a0ee135163e37674553ebe1b50713ea6e4c18fb15da798c9306c4f5dc197c6a1bf52268f48331eb34cb86ca1cc
 MISC metadata.xml 457 BLAKE2B 9d392be6c061ebd3d975308065fcdec4ee061268f4b8b79e122b183d2e4f7259fdb9e165b8b3f030f1edbbc4f112757b1de7a50929ac112d5633143f9585699a SHA512 42a8ccad09d35dd4677b70005606582207747ae39d62a7ea75e2f5de28f887fee4265c8ae3b38e5cdb3017cc84c8902e2a525ae31fa5dd0aa00369e9b428f563
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild
deleted file mode 100644
index 65ff12de560a..000000000000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild
+++ /dev/null
@@ -1,31 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake-utils
-
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="~amd64 ~x86"
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="~sci-chemistry/${PN%apps}-${PV}"
-
-DEPEND="${RDEPEND}"
-
-DOCS=( README )
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild
deleted file mode 100644
index 0cee1d4ab5ec..000000000000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild
+++ /dev/null
@@ -1,31 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake-utils
-
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="amd64 x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="amd64 x86"
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="~sci-chemistry/${PN%apps}-${PV}"
-
-DEPEND="${RDEPEND}"
-
-DOCS=( README )
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild
deleted file mode 100644
index 80201be3f7eb..000000000000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild
+++ /dev/null
@@ -1,33 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake-utils
-
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="amd64"
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="
-	>=dev-cpp/eigen-3.3
-	~sci-chemistry/${PN%apps}-${PV}"
-
-DEPEND="${RDEPEND}"
-
-DOCS=( README )
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild
deleted file mode 100644
index 6d137926cd45..000000000000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild
+++ /dev/null
@@ -1,33 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake-utils
-
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="~amd64 ~x86"
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="
-	>=dev-cpp/eigen-3.3
-	~sci-chemistry/${PN%apps}-${PV}"
-
-DEPEND="${RDEPEND}"
-
-DOCS=( README.md )
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.3.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.3.ebuild
deleted file mode 100644
index 224468175589..000000000000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.3.ebuild
+++ /dev/null
@@ -1,33 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake
-
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS=""
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="
-	>=dev-cpp/eigen-3.3
-	~sci-chemistry/${PN%apps}-${PV}"
-
-DEPEND="${RDEPEND}"
-
-DOCS=( README.md )
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.2.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
index 224468175589..224468175589 100644
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.2.ebuild
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild
deleted file mode 100644
index 2a4d641b1075..000000000000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild
+++ /dev/null
@@ -1,33 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake-utils
-
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS=""
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="
-	>=dev-cpp/eigen-3.3
-	~sci-chemistry/${PN%apps}-${PV}"
-
-DEPEND="${RDEPEND}"
-
-DOCS=( README.md )
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-9999.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-9999.ebuild
deleted file mode 100644
index 224468175589..000000000000
--- a/sci-chemistry/votca-csgapps/votca-csgapps-9999.ebuild
+++ /dev/null
@@ -1,33 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake
-
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS=""
-fi
-
-DESCRIPTION="Extra applications for votca-csg"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE=""
-
-RDEPEND="
-	>=dev-cpp/eigen-3.3
-	~sci-chemistry/${PN%apps}-${PV}"
-
-DEPEND="${RDEPEND}"
-
-DOCS=( README.md )
diff --git a/sci-chemistry/votca-ctp/Manifest b/sci-chemistry/votca-ctp/Manifest
index ffae6a66f7e2..fe559364fbd1 100644
--- a/sci-chemistry/votca-ctp/Manifest
+++ b/sci-chemistry/votca-ctp/Manifest
@@ -1,7 +1,4 @@
 DIST votca-ctp-1.5.1.tar.gz 1345994 BLAKE2B 6e927c5d57abfff335412bdac085c9dd81696503310e58a89bf2207b07f9d9900d11d20176a11fbde6d6cdfa97f50faa5e877889e35201ad9ed5dd93dbc158cb SHA512 686d7193cdd6a763197dd4f332554c9c6c2022c539191d0a243e70450aa2a4c7048fff3c06636aee09525516fb3717fe49934d5daf2dfcdcbc08be416cc4b6c0
-DIST votca-ctp-1.5.tar.gz 1345419 BLAKE2B 148846b9118cabfa541eb4fe0129e366d0c447e2daf969833beb5df91ca7b43f0262c5845303ccf05ed8d3f9e2c2a5e0f876ec97c2601419ed04a28d56640494 SHA512 bc4dbddcefb473015a6513f44f4fddd5995a8598f82505e81b3c50ae771e64e8c979f39a347ab2deb55054e7efffad28b5ff3f73d2c1b8905bcaf6f007ff2959
 DIST votca-ctp-manual-1.5.1.pdf 948647 BLAKE2B 4afec48d0e6bb29dc86d4d22fce74a8d2197d6b7a1ed35a5b09af84c5bbc0fc49b91e045c85e5b5ab79beb5a7de1db78a15e395a1a5faf4c11cc1b58c1ffca97 SHA512 b4ae79b2da0037cc325fdff3b0fd8d142d6bfdad5bc11991cee314f40f105bcdcb1189d17679a84eb37da7a9bb686d0c5ee57c7796a0c6b787b70d53222dbc17
-DIST votca-ctp-manual-1.5.pdf 970539 BLAKE2B 8646215a4c2cd7be6d4c03820f00b8067e15c27f51fb6678540026cff1af0e28dffa528423ad47a4047a8f84fc1078d503a56a4a235e004735f0276ec1a6a33e SHA512 a315c1b4b37461f4f0d30ead1fec2ca33ff23d81c9d5e4d888ef7d7dd722f68f9596826f828f8a76841d6dde6889f623b73d9fe0f8a6c5a7cec1c16a83cf9030
 EBUILD votca-ctp-1.5.1.ebuild 1526 BLAKE2B 02bd82197f2b4f6a1e850d0394b9b99eb1bfb975b2ecd5aa26e481381701535bfe7f7def850e2e2602effe18e554b820e4c62eade10d108f3c1e913684963620 SHA512 fef3c10c232704c863983c6fac1bed2a74cd7917c2bb1d11a971cb00d30aaffe0fb8ef5d95a2d28c0ec2d17753432b9a6b382d179a07db1d4b9b3296c1da928d
-EBUILD votca-ctp-1.5.ebuild 1526 BLAKE2B 02bd82197f2b4f6a1e850d0394b9b99eb1bfb975b2ecd5aa26e481381701535bfe7f7def850e2e2602effe18e554b820e4c62eade10d108f3c1e913684963620 SHA512 fef3c10c232704c863983c6fac1bed2a74cd7917c2bb1d11a971cb00d30aaffe0fb8ef5d95a2d28c0ec2d17753432b9a6b382d179a07db1d4b9b3296c1da928d
 MISC metadata.xml 453 BLAKE2B a61c365529a1c877e5bad44f6e2f0a24a8797956e9e3a5b3d4649c58c27df9301b50c84bb5767ca52a151e2b509f46a92cd3f17c1020fb7bedf7fb2fe708b48d SHA512 53ace87a281559ae8881b8b010c76801696521de930dcfaf12a5e320456cb4a21a55a7873d173bdb5cc740f3cdbccf1daf62bc83579342f4f23329df7dbd2dba
diff --git a/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild b/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild
deleted file mode 100644
index e21caf217902..000000000000
--- a/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild
+++ /dev/null
@@ -1,71 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit cmake-utils multilib
-
-IUSE="doc"
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
-		doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS=""
-fi
-
-DESCRIPTION="Votca charge transport module"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}[sqlite]
-	>=dev-cpp/eigen-3.3
-	sci-libs/gsl
-	~sci-chemistry/votca-csg-${PV}"
-
-DEPEND="${RDEPEND}
-	virtual/pkgconfig"
-
-if [ "${PV}" != "9999" ]; then
-	DEPEND="${DEPEND}
-	doc? (
-		app-doc/doxygen[dot]
-		dev-texlive/texlive-latexextra
-		virtual/latex-base
-		dev-tex/pgf
-	)"
-fi
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_configure() {
-	[[ ${PV} = *9999* ]] && mycmakeargs=(
-		-DBUILD_XTP_MANUAL=$(usex doc)
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	if use doc; then
-		[[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-		cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
-		dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)"
-	einfo "https://dx.doi.org/10.1021/ct200388s"
-	einfo
-}
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index ae2b9b146ad5..43ae1f2c01b6 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -1,24 +1,6 @@
-DIST votca-xtp-1.4.1.tar.gz 15214413 BLAKE2B 0f6e67179e2ee1fa8ab79ca0c2d810f9867dab474b50d49316aaed33a01b5cf93a129558792fff2851b8f1b7794ab423c25e4b6f6bce6809520ff40234b14e93 SHA512 1a3f5df3dc9a7f532464ef84ff4f4f8e60b9495529f349ab5e496595e73fff8f4678b8276b2c5733dd3f692ca03220e7d0bc4a82163017572428c0d1dd5f91fd
-DIST votca-xtp-1.4.tar.gz 15214266 BLAKE2B 435ba1603495d904ccce20b4fa665d3a1c62fc04005ea89cf83b431240fb78f8a44f09ad619af331802e43ca3d05b20a4c6bbbb0c75360940d4f786c0030fd7a SHA512 ffc32260331862393e199f7ab643b1008ee4f800cd017f175550a079afaa20e5c929cb8599bc0c2a2328253051895de7b979f5fec044243abc680a0dc87a69b9
-DIST votca-xtp-1.5.1.tar.gz 14634849 BLAKE2B 84ee9fc531a530ba276a6fd3eccc78dd25c27346db76871f33fe307dde451956bf091b636dd5594bf3b8b24a727fe7e5a730fb85cd2cbb0e5605705996e69bd2 SHA512 8fb6891e84d4d685e26287344554b705c607e7cb9f497c00ac9cd8328e50210c56706abdb7004b83d4addbfbc7b35c3526b4feabf75f681362b3b7a39c54b668
-DIST votca-xtp-1.5.tar.gz 14637712 BLAKE2B af04de706f0d100968928459a03b6a94a94a211b3f5bd056d123756d40760fb0ada70add429ed5b86e211dbdd3b91aa4cf12e51a260638766d04158e7b5a1201 SHA512 693f34004749edfbabcd0a19dc23b3de3c09858c7c0dfe1e420b92632397971e3687489c1074a489d4d2fd337ddc5749c419869db104c65736e7c01bf12cd140
-DIST votca-xtp-1.6.1.tar.gz 1405246 BLAKE2B b32db1e50ebfd79683ea2bf990293d9dfcf7703f3d95467a3fac5f98ec98e9bf1d29bab079e8f328fab8998144af186e7f47e99d9312763f7d73a1ae364ce58a SHA512 8b1bb235e70c239d0c57ceac65cd384841ea136d61f28bc72cbe2cfb47f9d776d42e06180acd1d8da93d0a0586e0bc3884ed82830d0f31c498ce225ca79a45aa
-DIST votca-xtp-1.6.2.tar.gz 1405868 BLAKE2B 4e5700cec41ede632b97904259040aef2b79f9698547bf508584e49ff5cb16ab627c31732136de67bed3f70af9bf890a25bf511e8d9278821107760fc29441b7 SHA512 64610239ef5b902daa4ff475b4fea194912ef2a50e24214fcecf7d63336208a642c5ae5f02b0f21d04a78acaef224ba9a29b06b9380dbd6a43553e704efc54fe
-DIST votca-xtp-1.6.3.tar.gz 1405361 BLAKE2B 35b73f754f6485c96624e75db7583559601e286d1a782259266f7a4e210ab21615d8ba6d308975483428091bf58a55b8fc96327543c17f8b5786744560cdf239 SHA512 2de786a10a3776b6a6e187cd1c42b173cb912b1169b6283ccd245fac9b2f03a94235b2ff8a372dee83e33f6669211b1f79573b099ad9775971ece79a88ac990c
+DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220 SHA512 f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af
 DIST votca-xtp-1.6.tar.gz 1404955 BLAKE2B 1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23 SHA512 cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670
-DIST votca-xtp-1.6_rc1.tar.gz 13586771 BLAKE2B d5b72a7389b77df0570eac0021870bba3fa66a89b3a2df1e08632b1c1827884d101ef8d972762dae35e44e53e7a9fe9278d3204eec09c35d091ab3427b055be4 SHA512 0b54eddcf944967b1d41f75f4887eba9edc3be18b94d319e93e795a24f58a2877d7f60afd806290eacb41d329d1b1206ebaab83874d6be2d5b026f06dbc19dfd
-DIST votca-xtp-manual-1.4.1.pdf 1066873 BLAKE2B 8cbd4b55b013794a19a8b5867b929b8e2d9084e6780d777b2a2bbaea23006f4f4ec5b26bd4a07c59e1c6726f23471eb1756b668636e0c4e656a0807e64197586 SHA512 fdf1147f24785524f5e96020fcd29c32bbeef520eebf6afba32b59d7e777d586c452919478d2734c3f021e558b1147b945cdbc0833402be2b16e5af3a8e37f5f
-DIST votca-xtp-manual-1.4.pdf 1064006 BLAKE2B e4f0c20c6d40a5f58b863258cc122e5a7cf376b7138927c0a6bdd400841c330fc013287513258f6f68609e39f0bf39b965fd099171594c5e2730fba82a2488d4 SHA512 96d7f59dbcc3a6efdc297237025217d5a56d2c81e491d90680786ea4769a5ebbea379df3b06c4847307ee30accd7415e316dee4730361262f5aff73d2f5d387e
-DIST votca-xtp-manual-1.5.1.pdf 912290 BLAKE2B 4511885f5506f542d639b5c7d2bb2e6f4f24df8d7929959ff707ae9c28c357346ebc7cde072f742309f3ef8a6b00a51d0873071cdc4cbcd291670fca788f46a7 SHA512 b410ddad0566933a2c9ad386fb6f4df0e71b316a84bce8c841e94df8f438959f0967ade63d1146549d453c2ecdb48e3d8b1fd147e53888e1717c6db3d07ba061
-DIST votca-xtp-manual-1.5.pdf 923211 BLAKE2B 5d2c78260365c6339753e1663d707d642dea870183386f799e8fb34517fdb69680293b77356ae00c3ee6b66053c614b7174503e2e752790a56e7dd2976b3cb0a SHA512 86079339de1cb6e3d0487ad816e86deebe6a1bddcac1f06801e3f94eca2e19b30ec61b286f13429e257aa152129f5dbb4bbbc88ac9d58bf1a9aeb1c3f430d3e0
-EBUILD votca-xtp-1.4.1.ebuild 1608 BLAKE2B 99eed8dd2235ecc6437468f7776d744bf267c4e6ecfc014d086b3b23a63e828d819e1df557cebf906ae470453c1d6596c3d2ec816270f483c9220f99b24ff962 SHA512 c69386fef427f43aac96237b2112730a54e3b22c9771c1e32fd6bc6a9b03729cae2fbf032070ca877eac0519167e6d7f6f24f33b07feb3b971e7cae68c2b1bfc
-EBUILD votca-xtp-1.4.ebuild 1604 BLAKE2B 20244273bc8ccdf801ac4293542e4bd165cf4c630b5c9fb926cefa256c2d2b9d6619a006dd9668e054b15ab1f7831c16a82eff51e68d1b48be7c6008e58b49cd SHA512 973a2fcdf49b985ffd4a25dae87c1e6fa15e1b28e694c620e2397b37136fd8a9aa0334e04833bf767a9e791ce8112e8dd63364034604783656adeade5b42b438
-EBUILD votca-xtp-1.5.1.ebuild 1617 BLAKE2B 5c6e63f4e215d2c8bb677452809afffe7d7ff54358a5525fdde5144f79579856bdab2638ab822d5b5a9361eb41e58b71da74a7216c300ad90a0a2337a49f74f1 SHA512 4b088f737909f629f3962e400bf1d3026c8c730d11cb6e9aa7378a0fa07476c127bbc3bc356223c61d47ff0399bcdb1f46d6b9ebf04254aa88b68e80970ad998
-EBUILD votca-xtp-1.5.ebuild 1615 BLAKE2B 5b4281036b2e026a9abd125382dfc64bff17fca1c4038589de5acce67349f4cf31928c329cc779d5c67f3f65c53882274fdfd6728d05de2866884938b7f5a2f1 SHA512 bbf7ad397d6a36a75eebe68279457e919646fc59b2005d6461109a750c08707bcd2fbdca0d37ebb3ddd3d9d329c7e29bbb9428e90e9e57be66110094de5c42d7
-EBUILD votca-xtp-1.6.1.ebuild 981 BLAKE2B ecd6a440ef81d8ad5ebfc3eea4e45c514dfe51f8987676b1e2e4033c28af21894db70bbdb719c3d940cc87b7e0c315bc4f5df4809553533459254595181882ae SHA512 8b454f32bad0dc99c2dab5e13d3a7571d3c0d01e8513b4d7f49992c8a412565a422d97ff4444f05817718199d05c55cbd8082cca3dd3c3333a353a4b9a56c2f2
-EBUILD votca-xtp-1.6.2.ebuild 964 BLAKE2B f5fd731d4ee14b579e7a19b07cf68f8a4a5fb301d4b80ef106f0473c15329ee367c93d7186bc179a1468fa69b465255592f660ec0b607624821610f8d6e89976 SHA512 8227e9223003934969a958b95df0208aaae2cf4829db1de7a6ca4384778200a8109ff7fe8eabf0d3487fdc3c06c1ff3d165c73c45e7e8a831b38fef497afd7dd
-EBUILD votca-xtp-1.6.3.ebuild 964 BLAKE2B f5fd731d4ee14b579e7a19b07cf68f8a4a5fb301d4b80ef106f0473c15329ee367c93d7186bc179a1468fa69b465255592f660ec0b607624821610f8d6e89976 SHA512 8227e9223003934969a958b95df0208aaae2cf4829db1de7a6ca4384778200a8109ff7fe8eabf0d3487fdc3c06c1ff3d165c73c45e7e8a831b38fef497afd7dd
+EBUILD votca-xtp-1.6.4.ebuild 964 BLAKE2B f5fd731d4ee14b579e7a19b07cf68f8a4a5fb301d4b80ef106f0473c15329ee367c93d7186bc179a1468fa69b465255592f660ec0b607624821610f8d6e89976 SHA512 8227e9223003934969a958b95df0208aaae2cf4829db1de7a6ca4384778200a8109ff7fe8eabf0d3487fdc3c06c1ff3d165c73c45e7e8a831b38fef497afd7dd
 EBUILD votca-xtp-1.6.ebuild 977 BLAKE2B 55f35d70c0eb6df4b22da9202f9f18e5baeba6d7cef8386b1f3a1a83514b2329519bd8bdcda29c345e9d18014841206628830f8b6a2a9883de04f12125bea1a7 SHA512 05c71cce9b9621d2b04af7d4f4809c24914c5554facfb0420054cccc26240805380a47def2ba203767b199914e63e5380b928b1f58b0d80e14469b911508be91
-EBUILD votca-xtp-1.6_rc1.ebuild 970 BLAKE2B e1e338caee101e1b02ca208687da8c30c556c543f24fb515f0e423212899880870d625bccf70b6be9b06e61380b01ca12b9a093a6f3ed69ede52bf20680e5636 SHA512 722a6c10721392baa19c606ab18e114aed9700bc7d4f4365b7d907b329f5a205678e5bc592a085908382b3ecc282b9fe256baa75aa2705ca9148ea767946dc6b
 EBUILD votca-xtp-9999.ebuild 964 BLAKE2B f5fd731d4ee14b579e7a19b07cf68f8a4a5fb301d4b80ef106f0473c15329ee367c93d7186bc179a1468fa69b465255592f660ec0b607624821610f8d6e89976 SHA512 8227e9223003934969a958b95df0208aaae2cf4829db1de7a6ca4384778200a8109ff7fe8eabf0d3487fdc3c06c1ff3d165c73c45e7e8a831b38fef497afd7dd
 MISC metadata.xml 453 BLAKE2B 51ee11d9c55f15fd0382a7c422d1c12364901a5ac257f57d04b91b8ca77acf9c1eb709879bfc6042b577961352cbc4e31b01ece3a8c650eaffa9b4ebc6d385fb SHA512 892c8f84df6bd19e969b372def9a485be9121d8f7ab410b532529980298e57d0705f73fac409d8f251449cf2119dd3f28133e08d21d0e73b27d5ec0e9a3f205e
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild
deleted file mode 100644
index 55306bb34700..000000000000
--- a/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild
+++ /dev/null
@@ -1,71 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc"
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
-		doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="~amd64 ~x86"
-fi
-
-DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}[sqlite]
-	~sci-chemistry/votca-csg-${PV}"
-
-DEPEND="${RDEPEND}
-	doc? (
-		app-doc/doxygen[dot]
-		dev-texlive/texlive-latexextra
-		virtual/latex-base
-		dev-tex/pgf
-	)
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-DOCS=( README NOTICE CHANGELOG.md )
-
-src_configure() {
-	mycmakeargs=(
-		-DLIB=$(get_libdir)
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	if use doc; then
-		if [[ ${PV} = *9999* ]]; then
-			cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" manual
-			newdoc "${S}"/manual/xtp-manual.pdf "${PN}-manual-${PV}.pdf"
-		else
-			dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-		fi
-		cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
-		dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)"
-	einfo "https://dx.doi.org/10.1021/ct200388s"
-	einfo
-}
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild
deleted file mode 100644
index 8931e0f663e9..000000000000
--- a/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild
+++ /dev/null
@@ -1,71 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc"
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
-		doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
-	KEYWORDS="amd64 x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="amd64 x86"
-fi
-
-DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}[sqlite]
-	~sci-chemistry/votca-csg-${PV}"
-
-DEPEND="${RDEPEND}
-	doc? (
-		app-doc/doxygen[dot]
-		dev-texlive/texlive-latexextra
-		virtual/latex-base
-		dev-tex/pgf
-	)
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-DOCS=( README NOTICE CHANGELOG.md )
-
-src_configure() {
-	mycmakeargs=(
-		-DLIB=$(get_libdir)
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	if use doc; then
-		if [[ ${PV} = *9999* ]]; then
-			cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" manual
-			newdoc "${S}"/manual/xtp-manual.pdf "${PN}-manual-${PV}.pdf"
-		else
-			dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-		fi
-		cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
-		dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)"
-	einfo "https://dx.doi.org/10.1021/ct200388s"
-	einfo
-}
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild
deleted file mode 100644
index 0d1043e3f97f..000000000000
--- a/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild
+++ /dev/null
@@ -1,73 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc"
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
-		doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="~amd64"
-fi
-
-DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}[sqlite]
-	>=dev-cpp/eigen-3.3
-	~sci-chemistry/votca-csg-${PV}
-	sci-libs/ceres-solver
-	sci-libs/libxc"
-
-DEPEND="${RDEPEND}
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-if [ "${PV}" != "9999" ]; then
-	DEPEND="${DEPEND}
-	doc? (
-		app-doc/doxygen[dot]
-		dev-texlive/texlive-latexextra
-		virtual/latex-base
-		dev-tex/pgf
-	)"
-fi
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_configure() {
-	[[ ${PV} = *9999* ]] && mycmakeargs=(
-		-DBUILD_XTP_MANUAL=$(usex doc)
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	if use doc; then
-		[[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-		cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
-		dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
-	einfo "https://doi.org/10.1021/acs.jctc.8b00617"
-	einfo
-}
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild
deleted file mode 100644
index 3bbf02f0508e..000000000000
--- a/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild
+++ /dev/null
@@ -1,73 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE="doc"
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
-		doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )"
-	KEYWORDS="amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="amd64"
-fi
-
-DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}[sqlite]
-	>=dev-cpp/eigen-3.3
-	~sci-chemistry/votca-csg-${PV}
-	sci-libs/ceres-solver
-	sci-libs/libxc"
-
-DEPEND="${RDEPEND}
-	>=app-text/txt2tags-2.5
-	virtual/pkgconfig"
-
-if [ "${PV}" != "9999" ]; then
-	DEPEND="${DEPEND}
-	doc? (
-		app-doc/doxygen[dot]
-		dev-texlive/texlive-latexextra
-		virtual/latex-base
-		dev-tex/pgf
-	)"
-fi
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-src_configure() {
-	[[ ${PV} = *9999* ]] && mycmakeargs=(
-		-DBUILD_XTP_MANUAL=$(usex doc)
-	)
-	cmake-utils_src_configure
-}
-
-src_install() {
-	cmake-utils_src_install
-	if use doc; then
-		[[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
-		cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html
-		dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html
-	fi
-}
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
-	einfo "https://doi.org/10.1021/acs.jctc.8b00617"
-	einfo
-}
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
deleted file mode 100644
index a77afb4d4bdf..000000000000
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
+++ /dev/null
@@ -1,45 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE=""
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS="~amd64 ~x86"
-fi
-
-DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}
-	>=dev-cpp/eigen-3.3
-	sci-libs/hdf5[cxx]
-	~sci-chemistry/votca-csg-${PV}
-	sci-libs/libxc"
-
-DEPEND="${RDEPEND}
-	virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
-	einfo "https://doi.org/10.1021/acs.jctc.8b00617"
-	einfo
-}
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild
deleted file mode 100644
index a709871034bc..000000000000
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild
+++ /dev/null
@@ -1,45 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake multilib
-
-IUSE=""
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS=""
-fi
-
-DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}
-	>=dev-cpp/eigen-3.3
-	sci-libs/hdf5[cxx]
-	~sci-chemistry/votca-csg-${PV}
-	sci-libs/libxc"
-
-DEPEND="${RDEPEND}
-	virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
-	einfo "https://doi.org/10.1021/acs.jctc.8b00617"
-	einfo
-}
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.2.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
index a709871034bc..a709871034bc 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6.2.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild
deleted file mode 100644
index bfad14f58ab4..000000000000
--- a/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild
+++ /dev/null
@@ -1,45 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-CMAKE_MAKEFILE_GENERATOR="ninja"
-
-inherit bash-completion-r1 cmake-utils multilib
-
-IUSE=""
-if [ "${PV}" != "9999" ]; then
-	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
-	KEYWORDS="~amd64 ~x86 ~amd64-linux"
-	S="${WORKDIR}/${P#votca-}"
-else
-	inherit git-r3
-	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
-	KEYWORDS=""
-fi
-
-DESCRIPTION="Votca excitation and charge properties module"
-HOMEPAGE="http://www.votca.org"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-
-RDEPEND="
-	~sci-libs/votca-tools-${PV}
-	>=dev-cpp/eigen-3.3
-	sci-libs/hdf5[cxx]
-	~sci-chemistry/votca-csg-${PV}
-	sci-libs/libxc"
-
-DEPEND="${RDEPEND}
-	virtual/pkgconfig"
-
-DOCS=( README.md NOTICE CHANGELOG.md )
-
-pkg_postinst() {
-	einfo
-	einfo "Please read and cite:"
-	einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
-	einfo "https://doi.org/10.1021/acs.jctc.8b00617"
-	einfo
-}
author	V3n3RiX <venerix@redcorelinux.org>	2021-01-22 20:28:19 +0000
committer	V3n3RiX <venerix@redcorelinux.org>	2021-01-22 20:28:19 +0000
commit	abaa75b10f899ada8dd05b23cc03205064394bc6 (patch)
tree	eca3dd248b73b92013cba00a0fcc1edf2696e19a /sci-chemistry
parent	24fd814c326e282c4321965c31f341dad77e270d (diff)