gentoo resync : 24.07.2021

16 files changed, 171 insertions, 27 deletions

diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index b1404e22286b..144048508493 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index a7fcd6625b18..13f44be756df 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1,3 +1,3 @@
 DIST chemex-2018.10.3.tar.gz 546696 BLAKE2B d283cfb94118686f1974780249641e0ea6f86cdb854c4a256897e361a300a94506813a5035ee2f300fca13263e8452b77e7a0817436cbd620ba16d801a541af7 SHA512 784bd03b354724d6aa52d663c6f661f865d4ef7ca345573bc8aae9ef63e5dbb3e65abba364de3ff441b78adfa588344c718809c5880b3fc70d8ed24be06a0826
-EBUILD chemex-2018.10.3.ebuild 1043 BLAKE2B 2b1f45bf6d29b12cd12d14e67010eba1926f886e8bd7ea176d740c7b96eb5b6ff4181a3cab68121186eb4debf402e546727a4d28b0ba487abecac12cdc73643b SHA512 3acbe0588c4f357b22e466585f1841de0ae472652863bfafc0b62df3ee1a6adffedaaad688297ad9859e17f196a9759549d739336c1bfb4f92600ded2ae79579
+EBUILD chemex-2018.10.3.ebuild 1007 BLAKE2B 9b231e246e6401185db827f7cc808be6c1955a569f00b156b7b3ef43645cb51596865551df05c176bfa916128dd40953d933a54e7c10548c37fb08acbb8fb62c SHA512 82f4719818573b63cbdc8d7ffac0968204357f705655e327df0866ea6296c03fb38b8b05133b301fb88fdbaec693814c55c6fea935f7dc4a507eeee5fe0493f3
 MISC metadata.xml 216 BLAKE2B 0fbfa16661345362ff89f87adc0bb42fc5f5c9145cdedb36f3f537b39af4023b91c4dfb0d8e83a4f9ac963141f594ba8ae678371c338d992a96e02c11fd84195 SHA512 628a69805356b7458edaa2297901224178b016477a937f77e692a78ce3e7a0b6d2d7b4c4b7e70d0185d7112e6a59a5131e07d8c950e90b9c8722471d7511afc6
diff --git a/sci-chemistry/chemex/chemex-2018.10.3.ebuild b/sci-chemistry/chemex/chemex-2018.10.3.ebuild
index 0c983b2eb24f..19f50cce7be7 100644
--- a/sci-chemistry/chemex/chemex-2018.10.3.ebuild
+++ b/sci-chemistry/chemex/chemex-2018.10.3.ebuild
@@ -4,7 +4,7 @@
 EAPI=7
 DISTUTILS_SINGLE_IMPL="yes"
 DISTUTILS_USE_SETUPTOOLS=rdepend
-PYTHON_COMPAT=( python3_{7..9} )
+PYTHON_COMPAT=( python3_{8..9} )
 
 inherit distutils-r1
 
@@ -20,12 +20,12 @@ 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[${PYTHON_MULTI_USEDEP}]
+		>=dev-python/asteval-0.9.11[${PYTHON_USEDEP}]
+		>=dev-python/lmfit-0.9.11[${PYTHON_USEDEP}]
+		>=dev-python/matplotlib-1.1[${PYTHON_USEDEP}]
+		dev-python/numpy[${PYTHON_USEDEP}]
+		dev-python/setuptools_scm[${PYTHON_USEDEP}]
+		>=dev-python/scipy-0.11[${PYTHON_USEDEP}]
 	')
 "
 DEPEND="${RDEPEND}"
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 1a2e29194577..d49f82a99357 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -17,9 +17,9 @@ DIST regressiontests-2020.6.tar.gz 48541232 BLAKE2B dbb405bd9168775984de8c9fb9e3
 DIST regressiontests-2021.2.tar.gz 48514312 BLAKE2B 81b007d5e5e1d054349c73dc8bc3589db328752e48a66687c0ad36be87ebe580df9cbd93b193a724669bd5765af06ec306f2e12af00a228af616de03943d6f05 SHA512 b687ddfd3dc6ec1051af2a3253633703ef1c82335d1df23379819ea47e44dfcd417e81e29610cc584d4c5fb1ee1cbc76731a3fd31b529d8cdd0b9c22f432c7ec
 EBUILD gromacs-2018.8.ebuild 6943 BLAKE2B bd0a58000cf2c669bc4871f2f68d06b4ef7b4e40ef4a35ce306854fd1ebcdf99baed53199bc803b4fda40124226a1093168bf6fe262e27b9086bede6004db0ce SHA512 df2193024fec30dff1a9e87774267f93f46c1636893a4eb65d50ebe7314cf6cc39eee94c9b252247b40508cea2cbcbc6749681ce16c3ce461f0b2545e0418926
 EBUILD gromacs-2019.6.ebuild 7264 BLAKE2B 6196f750a81562c82f1004ba3e4be05193aa9100de0d5a917df242c1287989e83992a5574812f332639c95fc009b860fcfd4b563b5e5148dfa650ce82e861f5b SHA512 ac84483eeb66765b7ae0e5489d5c3b8d293dca6108b79dfcdc35674e033af1a487d0db0bcfc7ad1158fd3ae3aedef236a6549f8ade85483ef6dfb8309cccb05a
-EBUILD gromacs-2020.4.ebuild 10142 BLAKE2B 67561d5feb49c8133f2103c15759cb8824e98926fd83b64a7ae3ce4e15d9a35ff9a3b7f3e5fc38260006d42509235a65a39dee63f112b682e21336e561d0ea94 SHA512 4a2dd2fd2daec029e83b4ba9f7de4540a0b963842a0ccb3e4dbea66e4b6b30a28a7db1be4a17ffc0d0b5fdc241af32a80cfa7836b7d88f3d81c26ccb9ec04044
-EBUILD gromacs-2020.6.ebuild 10145 BLAKE2B 46db22597e4887bac67371d8ae340e5b707b0f6803ea9ad50148d254236266138f2ac53eef66301471933358e97bce72195dbe3772736d87676d90ff2d10e7be SHA512 fe0f1ebf7f5e96c3177858a36ac73e8e887536e570554885b47116be82703680940c5a4f0b3d571b665c776804a93351482c00bc6c13e6f691d5a9b5664db555
-EBUILD gromacs-2021.2.ebuild 10367 BLAKE2B 12d73f2b0e4412fba3bca6c55fef02f098d376094d045090b67201d776893d2709908113936bae8211f27c2d5231f86265c2e16018363b17e1d1aef5879e3253 SHA512 45255fe4eacec5caeb29696cb513b6c5c9a820e6d52bd543bdf89483e6a0d3710189403b7842e4af6ebaec14cb6a47b23130cc6dafa563740462382cff8d954e
-EBUILD gromacs-2021.9999.ebuild 10277 BLAKE2B cb9936b80f4c3beb1cb2572318a878a120d2038a31d258868aa0d1318c1acf6e8cd3a01fe9e00e6129f69d79773464755ca3301a0ae87bd3429c97c8f36e46b9 SHA512 7bbb314d7c4bb6469f1ea7245dc3a925adce3ebd582908f3f62a60b294558726374fa3bfd46620d4d5c6032d124b9af00d5faa84d546f77791db572cf599d634
-EBUILD gromacs-9999.ebuild 10277 BLAKE2B cb9936b80f4c3beb1cb2572318a878a120d2038a31d258868aa0d1318c1acf6e8cd3a01fe9e00e6129f69d79773464755ca3301a0ae87bd3429c97c8f36e46b9 SHA512 7bbb314d7c4bb6469f1ea7245dc3a925adce3ebd582908f3f62a60b294558726374fa3bfd46620d4d5c6032d124b9af00d5faa84d546f77791db572cf599d634
+EBUILD gromacs-2020.4.ebuild 10134 BLAKE2B efc77b2cb0981ebf3f90fbe531d54020be2e82b464dace3ab8d07d41cae060c5e073a8a3f641b4bb0431ec2717a5f990a2a6f08ceed6a805bde82742b9eba487 SHA512 f7af8d31c43abe23b9c92ce6afd0dbea4219fe48dad3d91bf19f50f80a520cb0ab98949d4f2653679de751853755e793fd0e84ad73ebf13bef17fc255d693001
+EBUILD gromacs-2020.6.ebuild 10137 BLAKE2B e5f058493f7757ffcff53c892445a3ea2dd15ebb83bbd7fd186a56d85e785be75277e8329487a182d27e23f7756b02618c227ef40c2aaf0243f2a1fbeda232c6 SHA512 37df9d310ab597ce4bb69bd3d77ec20d4b6e0b825b341e5fe78b139164fd02a43b5e3d012530fd9a62500d4a63d2efa05fcbc1219ef5edcb93bf232d563af821
+EBUILD gromacs-2021.2.ebuild 10359 BLAKE2B e14d69500a56fb7650a96b61bc7aeec186d61446eeea1d5d8ac4c983321997a31ddaf5f23644ff4bc44950e86387052a24c6261934ebb8a247ac139840e63e7d SHA512 099b68c19cd9e0c9d205471b38804cfe07cd71f232a24ffc40b02301150afd8674eb016a09987d0ffe4e2d0ebf36a2e5ecb6883c95731474327772755d97b621
+EBUILD gromacs-2021.9999.ebuild 10269 BLAKE2B 325e9c8bc349775cffa58a7767a9b5ca020bf6b9caf8b589d80379744327409ed45bd21fe138bd8e52b0a9eaf61b030e20b0b6b6be42bb15b3cd96cd59142f6c SHA512 52f6e758d518c8472c3c05c3b5d2c3a555e5aabd303ee94cc43675ff17b93b01c70b669b8a016b09b753085a7ac82df9e0002f2dc4bf9295107e7c92f4e1a45a
+EBUILD gromacs-9999.ebuild 10269 BLAKE2B 325e9c8bc349775cffa58a7767a9b5ca020bf6b9caf8b589d80379744327409ed45bd21fe138bd8e52b0a9eaf61b030e20b0b6b6be42bb15b3cd96cd59142f6c SHA512 52f6e758d518c8472c3c05c3b5d2c3a555e5aabd303ee94cc43675ff17b93b01c70b669b8a016b09b753085a7ac82df9e0002f2dc4bf9295107e7c92f4e1a45a
 MISC metadata.xml 1223 BLAKE2B 9e48794b267cdb031dcc680ecce38c0d9727c2706d95a0a52d3502d4aa73d245db419a77823d10c5022d65628390b2fd476e489ec764cdd1721c9dd8295a8232 SHA512 d9320e5896bd32e892a9be573da92943236d0cf912f3417b823a415c5470ad9e37a934eafcede6ab7487197854c515ef81270e44c8503540b14dc13356beb3de
diff --git a/sci-chemistry/gromacs/gromacs-2020.4.ebuild b/sci-chemistry/gromacs/gromacs-2020.4.ebuild
index 4a9027a2d180..4acfbb385118 100644
--- a/sci-chemistry/gromacs/gromacs-2020.4.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.4.ebuild
@@ -5,7 +5,7 @@ EAPI=7
 
 CMAKE_MAKEFILE_GENERATOR="ninja"
 
-PYTHON_COMPAT=( python3_{7,8,9} )
+PYTHON_COMPAT=( python3_{8,9} )
 
 DISTUTILS_USE_SETUPTOOLS=no
 DISTUTILS_SINGLE_IMPL=1
@@ -62,7 +62,7 @@ BDEPEND="${CDEPEND}
 	build-manual? (
 		app-doc/doxygen
 		$(python_gen_cond_dep '
-			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
+			dev-python/sphinx[${PYTHON_USEDEP}]
 		')
 		media-gfx/mscgen
 		media-gfx/graphviz
diff --git a/sci-chemistry/gromacs/gromacs-2020.6.ebuild b/sci-chemistry/gromacs/gromacs-2020.6.ebuild
index 0e2baeb3b302..ffd92a1f1d73 100644
--- a/sci-chemistry/gromacs/gromacs-2020.6.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.6.ebuild
@@ -5,7 +5,7 @@ EAPI=7
 
 CMAKE_MAKEFILE_GENERATOR="ninja"
 
-PYTHON_COMPAT=( python3_{7,8,9} )
+PYTHON_COMPAT=( python3_{8,9} )
 
 DISTUTILS_USE_SETUPTOOLS=no
 DISTUTILS_SINGLE_IMPL=1
@@ -62,7 +62,7 @@ BDEPEND="${CDEPEND}
 	build-manual? (
 		app-doc/doxygen
 		$(python_gen_cond_dep '
-			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
+			dev-python/sphinx[${PYTHON_USEDEP}]
 		')
 		media-gfx/mscgen
 		media-gfx/graphviz
diff --git a/sci-chemistry/gromacs/gromacs-2021.2.ebuild b/sci-chemistry/gromacs/gromacs-2021.2.ebuild
index d3299c25bab8..4a9c41ff8ac9 100644
--- a/sci-chemistry/gromacs/gromacs-2021.2.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.2.ebuild
@@ -5,7 +5,7 @@ EAPI=7
 
 CMAKE_MAKEFILE_GENERATOR="ninja"
 
-PYTHON_COMPAT=( python3_{7,8,9} )
+PYTHON_COMPAT=( python3_{8,9} )
 
 DISTUTILS_USE_SETUPTOOLS=no
 DISTUTILS_SINGLE_IMPL=1
@@ -62,7 +62,7 @@ BDEPEND="${CDEPEND}
 	build-manual? (
 		app-doc/doxygen
 		$(python_gen_cond_dep '
-			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
+			dev-python/sphinx[${PYTHON_USEDEP}]
 		')
 		media-gfx/mscgen
 		media-gfx/graphviz
diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
index 40f115d6a10e..cbac7d70f6b4 100644
--- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
@@ -5,7 +5,7 @@ EAPI=7
 
 CMAKE_MAKEFILE_GENERATOR="ninja"
 
-PYTHON_COMPAT=( python3_{7,8,9} )
+PYTHON_COMPAT=( python3_{8,9} )
 
 DISTUTILS_USE_SETUPTOOLS=no
 DISTUTILS_SINGLE_IMPL=1
@@ -62,7 +62,7 @@ BDEPEND="${CDEPEND}
 	build-manual? (
 		app-doc/doxygen
 		$(python_gen_cond_dep '
-			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
+			dev-python/sphinx[${PYTHON_USEDEP}]
 		')
 		media-gfx/mscgen
 		media-gfx/graphviz
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
index 40f115d6a10e..cbac7d70f6b4 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -5,7 +5,7 @@ EAPI=7
 
 CMAKE_MAKEFILE_GENERATOR="ninja"
 
-PYTHON_COMPAT=( python3_{7,8,9} )
+PYTHON_COMPAT=( python3_{8,9} )
 
 DISTUTILS_USE_SETUPTOOLS=no
 DISTUTILS_SINGLE_IMPL=1
@@ -62,7 +62,7 @@ BDEPEND="${CDEPEND}
 	build-manual? (
 		app-doc/doxygen
 		$(python_gen_cond_dep '
-			dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
+			dev-python/sphinx[${PYTHON_USEDEP}]
 		')
 		media-gfx/mscgen
 		media-gfx/graphviz
diff --git a/sci-chemistry/vmd/Manifest b/sci-chemistry/vmd/Manifest
index bac8374180d8..0b61e652da38 100644
--- a/sci-chemistry/vmd/Manifest
+++ b/sci-chemistry/vmd/Manifest
@@ -1,4 +1,4 @@
 DIST vmd-1.9.4_alpha51-gentoo-patches.tar.xz 14604 BLAKE2B f8621956785d365cc056ba53373120d8f99da1476ab9789af6bb8ef00b8dd8c2a4c3599d75e13eba2fc5630b291aed966ce64f7f408504b079e3e994e45da243 SHA512 c57fd81e667e405ab1208a4e4a1d63710e593c07f554420c32980becd3547c2df98fbf6e439a53a626121fc361559f1ba53ab7b7235c97422bba61ece59d23bc
 DIST vmd-1.9.4a51.src.tar.gz 42826371 BLAKE2B 239d87f975c41a71096083028c1db8bf40cc058fc687fd9fff3c14c97c9b12bd68818d4c2eaeefd8c95c661409f1f056bce42178d0ba9271aa344fdce6f81ea9 SHA512 b42af6a4a7b1d2f0d242f89bff3a1c25a608ff59b9902b90154ba82a40439afb802a2d319363fa388a5211420fdaf0ee9bfd1f0a0e6e85d89d1dd506b373ba40
-EBUILD vmd-1.9.4_alpha51.ebuild 7604 BLAKE2B 95a6087ebee108f1444fbef54e96478e32d0a2bd958c9a5679e9b087d9e43d8d46c0847e2babbef3906c7eaf20bfd2c4b9959476a61ea9cc0e0c4ca4504bbd17 SHA512 d52b6964ea258e30c7a8a337412a813a70ae10ad62b311ef27b87beb13c5afb844ff9380566a24e6e8191f2b13f15d0637d053d8ea3f54ba89be48eeb9707f85
+EBUILD vmd-1.9.4_alpha51.ebuild 7598 BLAKE2B fa0cdea71d0a85069b197d40e6d3cbc54a3136646bf18c6a9a702e591f2bbaed15606499923e8d75d1996f7e99fbd48604892add5fa16dd161cacda548df784d SHA512 8c9231669f17c59892114ee3aaf5f5d32b5c1b451795d8bcd1e7366bbf9d13723938140acf7e9e7504844e996986a96343df75ad9f4204ed5c14bec63ac0d7c4
 MISC metadata.xml 778 BLAKE2B 6c4202950f57a4d7a3004e966c761325a0a31ab19fe06a6bd69882bd685e41424953104ff653c03d6cbbcb60bb9aba45fbcec43cd228c4bb57fcb1c63a2bd881 SHA512 b967b71fb9f1b47a9d3b69e6958dfb0314a9f071dade7ed1876e91dfa73188748faf11ef832d240a71745b36a30422bde79de2e9ff8e5ec6b6da4b11b40d19c9
diff --git a/sci-chemistry/vmd/vmd-1.9.4_alpha51.ebuild b/sci-chemistry/vmd/vmd-1.9.4_alpha51.ebuild
index 732d96f97bd7..f4678f8d788b 100644
--- a/sci-chemistry/vmd/vmd-1.9.4_alpha51.ebuild
+++ b/sci-chemistry/vmd/vmd-1.9.4_alpha51.ebuild
@@ -2,7 +2,7 @@
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=7
-PYTHON_COMPAT=( python3_{7..9} )
+PYTHON_COMPAT=( python3_{8..9} )
 
 inherit cuda desktop flag-o-matic prefix python-single-r1 toolchain-funcs xdg
 
@@ -27,7 +27,7 @@ RESTRICT="fetch"
 
 CDEPEND="${PYTHON_DEPS}
 	$(python_gen_cond_dep '
-		dev-python/numpy[${PYTHON_MULTI_USEDEP}]
+		dev-python/numpy[${PYTHON_USEDEP}]
 	')
 	>=dev-lang/tk-8.6.1:0=
 	dev-lang/perl
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index ddc5a5ef1eaf..e9152c9239ef 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -1,13 +1,16 @@
 DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd SHA512 3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c
 DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9 SHA512 4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac
+DIST votca-csg-2021.1.tar.gz 4300862 BLAKE2B 4ef287a8b0e14e97bcbc293bebdc3a0c45a08bd0033044ef8aa1ac18bac04928010ab3f5edfb656f1d062926f4572a1f3b0e55b3b3b635fdc388e5b850ec3bba SHA512 e1abdd34a3d88aea253cc10e7832a18d2cffc44286e4591c5a1239bf34e68d6c40054d3eb907a902e5ab6af5a9dea4ec266ff5ce59073b500413f4e122885e94
 DIST votca-csg-2021.tar.gz 4300573 BLAKE2B ba589c97f22888b8a1a12c71314133c08c89e44c201bafa6e5f1d74dfe90c87dd84a5d1c2883b26402858b6aa990d37add57bdfb9db6836a7c287f0685a40a59 SHA512 8eacf4045ddc13d33e853cd35a67d03dfb63da60c3e879ea4f16e63f27a92aa13cbf4e367d9258778c9c09462443e4bb2b937c247c6246377ceeecf56bc6fc12
 DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B 29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d SHA512 7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642
 DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B 003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e SHA512 36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690
 DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B c6de6084fbb1d2c4ac2ce75d01a1153eabc63386063de800ff2dc6b483b0568191e7f06ddcb8be46123224ccfd3a97f5fb4e7cd603c0ee99a8636d7143f6c701 SHA512 f2e709ae31d914fe12a4ce37b5019deb878b15ade14972f2a8204bec8970ba2c8946b71b94a5bfd6f7569e41173bfbc75275ea09cbee4358ad1de0e84751049c
 DIST votca-csg-tutorials-1.6.4.tar.gz 5944389 BLAKE2B 66f1d4947bb28ec602250226ad2c08cc02278a90776acbcadca2df3078361435fb2353ee0fa299d0d19697d36682f20aab709d45539d5ac7e7070942601ebc3f SHA512 7e40037f2e70c861fd7f5c63806c17ad56672a340a8795fa745414940c55f593bef32b9f6b9050400131ed9e66aa927149e9d324a1c264364d8504baf1921e28
+DIST votca-csg-tutorials-2021.1.tar.gz 5941978 BLAKE2B 5e6c5cfc3860e287d93cf8d59862a75e3afe7ac1610e696427e99302a99c86d12ce12f7a23281f36c8859e48a25be138466b9316f4c0667d5bf784f33c27e6df SHA512 8370ac9e2e859153f9a54b2e02cd18692fd06810dafb50a6bf3d81eca5211847e1b75d9832df80b1436ae0f9dcab455aa0bfb4c8122165c584cabd14203408ba
 DIST votca-csg-tutorials-2021.tar.gz 5942031 BLAKE2B 60ef492c98bf07b5169c6f1be2298b6dac76003ef9981064463de9fdae649c215d469424e253d06b63637bb3eee9383c587a98322ab987995f8b4861bb0002e1 SHA512 844706407cb91d507c6b0433e23f4b27756dd4c882f6cef79d51f2b2acae6cd0114ccd91d626d090d0f61c58a57cc3c1eda0a0d10d6f4bfa522eda7ee8de21b3
 EBUILD votca-csg-1.5.1.ebuild 2522 BLAKE2B 0fe2b373307c76ebab320169b5ae837c463a734b029af1a328a87c2428b19484f138c75e7bb1e4ad91d0c099aa24c97c411c2f00308ebad051a81d0275e797be SHA512 2c6018212ae244e7387a2f63e186e970dd18825d77994f862c283131796ac93c6bb25a5233a41e306d8090ee75c82759025b74c3d1e0a0211adf67e0b3964449
 EBUILD votca-csg-1.6.4.ebuild 2290 BLAKE2B 1fa3398fce620103e69529a1b36f1b21fac4ff633ed602f218a61f8c41471376842c7e51e428bf6da165f225be8c54a6c76107fee7fd691c3cbf2a7fdcfcb6c8 SHA512 b794120a45fc6616873b31989e3d7df64c545673305ef714c189dce6f2725ab2f93e2e5625f38bf34fe6711583088e947ef3407e902ec0be5b5babac72316458
+EBUILD votca-csg-2021.1.ebuild 2097 BLAKE2B 3ff69560e5ed700f6c0cf3f15442d7ce277af2acab62e552fd921ca51f35348cd77ed25e89afa2208fdb6e0c8c4ac4771ada07fdb1fd85ba1bcb5d2d1dc647fd SHA512 5b52a2a2bb86cf0024fc64b60b3bd51fedb7f5d8dc4e2cfcb3e1e20dbd661469be79ec486c516c8c40b98d13e232ef5f3f7701e2c062ca3171beeebe047647ea
 EBUILD votca-csg-2021.ebuild 2033 BLAKE2B 77fc10474aff5882c3d99133175f67ee51704dd1a32e101a42afb5e4417f3c478b4311f9ed619d62c1eab13328b130cfb1e500ff1e890c518adc0b1fcf167c6c SHA512 de1e8c1d9cb22e75ebc8dc7c043aafb04dce6eaf3d7173f1e745a6578b7236e9f71ce3b75fa5698333eca7c5c74a41337eba3fb4cd5c037e8bf3172bf78296eb
 EBUILD votca-csg-9999.ebuild 2072 BLAKE2B 1b13ee8b2bd47a7bd17fbddf1cc46f3ac38a21ba4c2d6d5a453ef3c55e2894b31c20c0f32d2b335b76d76ca56df6838b2ed6a616ee96e9dcb6fb7981f2f10346 SHA512 561f20660a4db6bca57c3bcf10c69aab2834b0a054c2ce95245a52536a1064c1481840001594cf2bcc4c060e3c407078d9d0b67497bd861d3f0a1df6b0ba3678
 MISC metadata.xml 676 BLAKE2B b3f2e43f5cb505876216b0a329410c9cef1b44a9bbd7e1c61faa4acd00dbe87ea0cebb00ed78dc00b9e1d2b08b95e3c40d25fecc0738c992a3f933e430f94e2b SHA512 14ecd498eeeed1576923d8da9bc5dc98e47c1d162173b7f2419ad367fa84e227555bd0365709be8a456dc5388ea6fa6734fa7df3c82fd4efcd1cf3460c7e12a1
diff --git a/sci-chemistry/votca-csg/votca-csg-2021.1.ebuild b/sci-chemistry/votca-csg/votca-csg-2021.1.ebuild
new file mode 100644
index 000000000000..eb83c3f2c7a6
--- /dev/null
+++ b/sci-chemistry/votca-csg/votca-csg-2021.1.ebuild
@@ -0,0 +1,87 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == *9999 ]]; then
+	inherit git-r3
+	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
+else
+	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
+		examples? (	https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )"
+	KEYWORDS="~amd64 ~x86 ~amd64-linux"
+	S="${WORKDIR}/${P#votca-}"
+fi
+
+DESCRIPTION="Votca coarse-graining engine"
+HOMEPAGE="https://www.votca.org/"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="examples extras +gromacs hdf5 test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+	app-shells/bash:*
+	>=dev-cpp/eigen-3.3
+	dev-lang/perl
+	~sci-libs/votca-tools-${PV}
+	gromacs? ( sci-chemistry/gromacs:= )
+	hdf5? ( sci-libs/hdf5 )
+"
+DEPEND="${RDEPEND}"
+BDEPEND="
+	>=app-text/txt2tags-2.5
+	virtual/pkgconfig
+"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_unpack() {
+	if [[ ${PV} == *9999 ]]; then
+		git-r3_src_unpack
+		if use examples; then
+			EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git"
+			EGIT_BRANCH="master"
+			EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials" \
+				git-r3_src_unpack
+		fi
+	else
+		default
+	fi
+}
+
+src_configure() {
+	local mycmakeargs=(
+		-DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+		-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5)
+		-DBUILD_CSGAPPS=$(usex extras)
+		-DENABLE_TESTING=$(usex test)
+	)
+	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 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-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index a720c673de91..8933d42bd96b 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -1,6 +1,8 @@
 DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220 SHA512 f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af
+DIST votca-xtp-2021.1.tar.gz 2192322 BLAKE2B 8b15f17e1287249ff383fc2b66b5d37c7f78bac071ea6cc2f902811ab56cded26db764cd204371d5bebca55dfce73d840d680a4c62bc458a6cf55955d783a666 SHA512 ad0190f3e9235aec9c6db4ea16de7cd0daad96ff9836821672b46dcf098ed3bc1cdbb98ccf4b495dab172d1c1a971580eef8dbf341a2067964f684871ca6277f
 DIST votca-xtp-2021.tar.gz 2192166 BLAKE2B bcacdfe92b8c9fbbe2fe949d7096c09928ef7ece3cc4e40adbf58f2894036588762f9905bce1a1595bea99d1dfb8bcd99f395bed2ce7b94eeaf51b1c33719558 SHA512 1444fd0a64a684fd2b1327a9c3af067ea812190fa95cab5f3bfcc7aae932cc7469d07fc219871ca594496fbfe74e277d3b6ccfbd7d5c24c162623515ee2fef0b
 EBUILD votca-xtp-1.6.4.ebuild 916 BLAKE2B 3f322407b39ca300186e1e283a6a85749b79518cbd7355577992fc4eeb7931c419e018a384a29d1e84becc5a7c94f7905c96d26cf6a750a9b0124ea35a40bd7a SHA512 65a479d3292c7296cbfb6543fe47e54f2824705dcbc2b2e75f6f2f4fda9f827ce15904aacff59c927061547a45c940eebef4f4fa3e3bcb226f401a6817dd74fc
+EBUILD votca-xtp-2021.1.ebuild 1072 BLAKE2B fd96c0a844636d52b3d4f10fc3cd4ad04061f6e015d1e8b087bcd50157e4d8a2586d7a4948b39987628d6efd9fc0c373d8bb77344bc62c3651d7b08704bc59fc SHA512 a1e95165d8c55351762d5a1cf70316862de2e30b765df1aaf8d904aa0cc0bf8d9e1f75aba3c88a4c7b273fee29d6a1bc89d710bb3fe298da5ee92b4f427a4f4a
 EBUILD votca-xtp-2021.ebuild 943 BLAKE2B a0596dab1f69c3c8e9afb3699b44ab0e49cd4e8f5ef6a397eed39ed051e13f0b457ca0b0e225329dcf73bc58799d4e3fc217805784f936d9e1ee09c3586bd998 SHA512 9c4688a19b3a4ef75c79a0500f253aaa1a99d38ed4e56948e4743ea03e734e613be845b56d084c67d783a8e76cd4ebc2888b94bfe3c6e67a9799bc22af6ff19b
-EBUILD votca-xtp-9999.ebuild 1073 BLAKE2B a9c1b41b9c84fdc31a6203714b183bb5d119e14e4a7e7c439d854c8f484bfab1e7f7f547b47ca059a080d667db36acf1311f406c83bcae3cfadd99c2262b8c39 SHA512 158015f6f79d215ab8a443cec0b104992e3ccea07356ea7a1c24790d8f0ee67eacff1f238fac30a5f9f522b131a599d6ea9fc6ed943c9889203826c7a9ea8849
+EBUILD votca-xtp-9999.ebuild 1092 BLAKE2B 4cc16fc9d7abf33f18b3120f9b756b1ada45dddfcb0686a28f0d522feb989ad39f54fb00249e7b388bdc4a063da89486cfd2827cfb7d3eddb0303f232fc3af91 SHA512 967feec2008dc88c8a15d825876d3d83058792843d2a7b7a67f702f7ea097a32c99397909c65eea1b0e27d5eb76cf156749ae1f68630cca8af2270f47928485d
 MISC metadata.xml 453 BLAKE2B 51ee11d9c55f15fd0382a7c422d1c12364901a5ac257f57d04b91b8ca77acf9c1eb709879bfc6042b577961352cbc4e31b01ece3a8c650eaffa9b4ebc6d385fb SHA512 892c8f84df6bd19e969b372def9a485be9121d8f7ab410b532529980298e57d0705f73fac409d8f251449cf2119dd3f28133e08d21d0e73b27d5ec0e9a3f205e
diff --git a/sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild
new file mode 100644
index 000000000000..4d4db8635e4d
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-2021.1.ebuild
@@ -0,0 +1,51 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == *9999 ]]; then
+	inherit git-r3
+	EGIT_REPO_URI="https://github.com/${PN/-//}.git"
+else
+	SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
+	KEYWORDS="~amd64 ~x86 ~amd64-linux"
+	S="${WORKDIR}/${P#votca-}"
+fi
+
+DESCRIPTION="Votca excitation and charge properties module"
+HOMEPAGE="https://www.votca.org/"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+	>=dev-cpp/eigen-3.3
+	~sci-chemistry/votca-csg-${PV}
+	sci-libs/hdf5[cxx]
+	sci-libs/libxc
+	sci-libs/libint:2
+	~sci-libs/votca-tools-${PV}
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+	local mycmakeargs=(
+		-DENABLE_TESTING=$(usex test)
+	)
+	cmake_src_configure
+}
+
+pkg_postinst() {
+	einfo
+	einfo "Please read and cite:"
+	einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+	einfo "https://doi.org/10.1021/acs.jctc.8b00617"
+	einfo
+}
diff --git a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild
index e4c0b6c8a536..ff2782e4b99a 100644
--- a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild
+++ b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild
@@ -28,6 +28,7 @@ RDEPEND="
 	sci-libs/hdf5[cxx]
 	sci-libs/libecpint
 	sci-libs/libxc
+	sci-libs/libint:2
 	~sci-libs/votca-tools-${PV}
 "
 DEPEND="${RDEPEND}"