gentoo resync : 21.06.2020

15 files changed, 123 insertions, 58 deletions

diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 96b19b9dbf0a..4f40a88e8f4a 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
diff --git a/sci-chemistry/cara-bin/Manifest b/sci-chemistry/cara-bin/Manifest
index be6d687316c5..b63d348febfd 100644
--- a/sci-chemistry/cara-bin/Manifest
+++ b/sci-chemistry/cara-bin/Manifest
@@ -1,4 +1,4 @@
 DIST Start1.2.cara.xz 43124 BLAKE2B 5c045662e156eda4c1a2075c52f1d35ad073a1bdef2655297f1df91dd3cd21a3eec5ff389bdd8765a1df2e9016cc09a1547db676de39c6233fd1eac82286cdda SHA512 26874d634491558dc593a0ec32e83d5cfceedc69bbf901f4d25d6b9515b84aebffbf495d1ac34b3664b8b5822954edf62c5b88dcca6bcfcb152715caa88f5f03
 DIST cara_1.8.4_linux.gz 6677463 BLAKE2B 3f67df10698b3f2851de1b221eeab94b497fb8a041fc6875755e18e06ae2e8c9c3cd670d99e21bf8034d5e3ac0a5d2ab46e101ba65813004809e1a1975e3b29e SHA512 e264cfbef640f267132dfd48b940203a319c8f34de71c5b786c6bfc2ab561bdf3fbd79516d619ca52b2aca64a2887f770fabfabedb76433c5f78aa02c65f898f
-EBUILD cara-bin-1.8.4-r1.ebuild 1191 BLAKE2B 05163e1f892654144bd5a4d281d937015ed876571bc0e3a1aebc5f6266a1f2bc29e37045e15c49a60a4e04afa0f621d99acfba8262cb03cf40a5c725ad5d73f7 SHA512 971ee04f14f2af7e4c4d687cbde66a61d1762a41c55ecb3d0a83bcc1d387a499b4c5c7303dbfb420f3994e833d1ed046264367b861dfe2c9972e710e9546c359
+EBUILD cara-bin-1.8.4-r2.ebuild 1194 BLAKE2B 60bf2f49889c11d0faa821b3333d739d3fc8bbf3f3eb9d5cd5729ad6f71de283033b54f6862b526526f129fd42254a742bdb9d8020e0d006545e41a41283add5 SHA512 9c56e4cc80d43a088d9d0851f96b16965a586accb8ea7da8845d090f80a0289ae7d9c598900ec681c090c1c04d2d990276a4219ab169c0a705b91e05a9e29858
 MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92
diff --git a/sci-chemistry/cara-bin/cara-bin-1.8.4-r1.ebuild b/sci-chemistry/cara-bin/cara-bin-1.8.4-r2.ebuild
index 45713307a58f..daba15405832 100644
--- a/sci-chemistry/cara-bin/cara-bin-1.8.4-r1.ebuild
+++ b/sci-chemistry/cara-bin/cara-bin-1.8.4-r2.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=5
@@ -30,7 +30,7 @@ RDEPEND="
 		>=x11-libs/libXrandr-1.4.2[abi_x86_32(-)]
 		>=x11-libs/libXrender-0.9.8[abi_x86_32(-)]
 	)
-	virtual/libstdc++
+	sys-libs/libstdc++-v3:5
 	lua? ( dev-lang/lua )"
 DEPEND=""
 
diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index 95508ed47981..e0cd183bc7e8 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1,6 +1,8 @@
 AUX chemex-2018.10.2-tests-package.patch 418 BLAKE2B 7547e44f73bba8f48dda46e1867cff75a4343b26732b59b011470a7a8143bc0b17c7a7f87d97672239b679406fc54662d68f04e2b1548adddd723ecced954205 SHA512 5e3c58ab4ba271672381308177c462e0813a2e43ced602090b527d99be3e3f38f53f822cfe62ed8f841a16f4c04a933f4ed08d2e71c04777745298e3354bfb4a
 DIST chemex-0.6.1.tar.gz 1449216 BLAKE2B 6b7f7597b09cd43b9bec89b6359d1f650fdd7d4f3a373e706da80dafaf438417458f34af6bc378442b5b4a84cb8222103ebc8026c85583e8dece3fad0dc77204 SHA512 40f538ef9c162759c7a6863886da8d46746ac362fc19154f0a5f3dd8703f7fea7397c3f34092c86dbce486c452e0d3b09a76e4c11ae119834d7ca4912e7f3fdf
 DIST chemex-2018.10.2.tar.gz 546575 BLAKE2B c36ae3bc152459844633276ab286b6f750ed5b2538c4289ceb75de9a081ad74fe346a79357fd6fc2f8972722b3520473262c4d623e46d6a4b30395962164a51f SHA512 f8ed017c0881ea9188e150456827e2c6302bdfe546c8058bd0261e43d941fbd1ac9e6abf1621d82107a4f6bd4e9aa4bc70c46e42dc98eabf2dba45a4fa78f77e
+DIST chemex-2018.10.3.tar.gz 546696 BLAKE2B d283cfb94118686f1974780249641e0ea6f86cdb854c4a256897e361a300a94506813a5035ee2f300fca13263e8452b77e7a0817436cbd620ba16d801a541af7 SHA512 784bd03b354724d6aa52d663c6f661f865d4ef7ca345573bc8aae9ef63e5dbb3e65abba364de3ff441b78adfa588344c718809c5880b3fc70d8ed24be06a0826
 EBUILD chemex-0.6.1-r3.ebuild 1037 BLAKE2B 8d1d5ed8e4aea24247816a7db54644e421e720cc86e469abc62b3f0c61ad1b3178ecd6ab6318d0419f1e6d27796526f42c68f95574d65594c681142f64f71cd9 SHA512 5d0b85517336e7c47de49a0f5cc061c4eb46e6b6f02eff6d964e467cef78d19077635140d0150ad3cec698d5e98d1fae4abebcce834e1b31b485fe3b52efa75e
 EBUILD chemex-2018.10.2.ebuild 1155 BLAKE2B caf445596bf98c1b0fccaf1c894c23937fb2087d149254ff07bf1cd4d4c47acd4526f733f6c86739cb6206a73bf98b9b8f34fc074ed9d7d3f5ddb0551c34d8bc SHA512 c330644a70739efd68293d0cb9295bd3bae0635747fd402ab1b9ebd1d18e239f88eeadd95209e2cd660c0d1151e31c7d4bbfea9ed3493888360fcec57f287724
+EBUILD chemex-2018.10.3.ebuild 1051 BLAKE2B b021e1ccff297a6cee7aa940e45c64b8067c109ac2f9c2d03825ee9ce86a7f4d215111ad0c8a66877d13f224cd6bba7bb781caf86903d7dab27e6df3f8dce048 SHA512 7eb418b6d8443cada7146755fe011862d90e0c5d2085ed6b565dea1fba530bcff6464261e8e73eeeb5e09d354b84e41e717c40a81d84a18c7fa84fcd01a1a0e3
 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
new file mode 100644
index 000000000000..d0634c88451f
--- /dev/null
+++ b/sci-chemistry/chemex/chemex-2018.10.3.ebuild
@@ -0,0 +1,42 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+DISTUTILS_SINGLE_IMPL="yes"
+DISTUTILS_USE_SETUPTOOLS=rdepend
+PYTHON_COMPAT=( python3_{6..8} )
+
+inherit distutils-r1
+
+DESCRIPTION="Program to fit chemical exchange induced shift and relaxation data"
+HOMEPAGE="https://github.com/gbouvignies/chemex"
+SRC_URI="https://github.com/gbouvignies/chemex/archive/${PV}.tar.gz -> ${P}.tar.gz"
+
+SLOT="0"
+LICENSE="BSD"
+KEYWORDS="~amd64"
+IUSE="test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+	$(python_gen_cond_dep '
+		>=dev-python/asteval-0.9.11[${PYTHON_MULTI_USEDEP}]
+		>=dev-python/lmfit-0.9.11[${PYTHON_MULTI_USEDEP}]
+		>=dev-python/matplotlib-1.1[${PYTHON_MULTI_USEDEP}]
+		dev-python/numpy[${PYTHON_MULTI_USEDEP}]
+		dev-python/setuptools_scm[${PYTHON_MULTI_USEDEP}]
+		>=sci-libs/scipy-0.11[${PYTHON_MULTI_USEDEP}]
+	')
+"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}/ChemEx-${PV}"
+
+src_prepare() {
+	export SETUPTOOLS_SCM_PRETEND_VERSION="${PV}"
+	distutils-r1_src_prepare
+}
+
+python_test() {
+	py.test -v -v || die
+}
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 122faba02ca7..54979d004776 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -15,8 +15,8 @@ DIST regressiontests-2020.2.tar.gz 48539492 BLAKE2B 08222ec18e70f551194fc0a060fa
 EBUILD gromacs-2018.8.ebuild 7012 BLAKE2B c54d0bce4d4ffca3365f6f574313ebdf9b0a7e71a8bd7e10c3ffe10f7bddce9854cc4707d1c9f0611e3a0d353fe4ec215d3ee385459748d5266d98f1b5e861a6 SHA512 1de3a0dbba1c03730f7709013515d2282951e0e87e962dce8c46f227bf0e9ddc2034b28ac797c3c2feb81a1c27f1fa10136ea60c861d266ca708e3aac687b8df
 EBUILD gromacs-2019.5-r1.ebuild 7334 BLAKE2B 1f53f81589e531a292a8bf191064b446ea7b021c73df2645e1f8a2d793d7b7020f6908c7b90066f3e328eb78ed42eed91fb40ec98a08254c7538b29c31f9bdf3 SHA512 f57ebd19ee8f5653b7ec80e6981fced22014b8dc7f54be0a438ffe5db0de94f8b1db13b8698cce616544d04b65672465402a4057ee47924478a4d5dd59901c0f
 EBUILD gromacs-2019.6.ebuild 7337 BLAKE2B c12b7eb0e5a53c8b215fc1862b229c75d723865340d0eabd5b660feb613a9dec1482632a975a3f3689c90ada28096a04b819ebd8616f1de35fb1224b92ef85ea SHA512 4bee46c3a389251149573e391214cf3a8a394cca0ccd1c29f5bf827106580007f7e6dbad319a39fe637db5d7a96f4c9883bb81f0975dc214f8af89f0f1d50930
-EBUILD gromacs-2020.1-r1.ebuild 9903 BLAKE2B 505ad7efa270342c4561f75bc5c608f8dc24bbbcc1e9151af05c2c805651aeadc0109e4d5d6dd073f4e3eaeec90642ec26daccfd27cb96d3a5ca6ebf465f7b85 SHA512 ea4a1d7d508c7730a3e50ef459e59feed6de305a49f335454ee4c25124a31ca70de6a580f65320e0c3be93591fc352c4b0233f3482b0a4324101c4f00fbfd31e
-EBUILD gromacs-2020.2.ebuild 9903 BLAKE2B 505ad7efa270342c4561f75bc5c608f8dc24bbbcc1e9151af05c2c805651aeadc0109e4d5d6dd073f4e3eaeec90642ec26daccfd27cb96d3a5ca6ebf465f7b85 SHA512 ea4a1d7d508c7730a3e50ef459e59feed6de305a49f335454ee4c25124a31ca70de6a580f65320e0c3be93591fc352c4b0233f3482b0a4324101c4f00fbfd31e
+EBUILD gromacs-2020.1-r1.ebuild 9916 BLAKE2B 1bface90982f6c78c024e92d9741b97a4658f037e73b9126a9cca33ee0169baec055ecbe21d307e3b79488241cd98b2d0a3df644fb330ffdc2819d360ddc981c SHA512 a41b93992725a08eea05125c4685b0c726fa0f1e284879d5ae6c20327ff19d681c135f736829fd546d122dd50587f9fff387220dc685f5989ceca1b45b2c4eba
+EBUILD gromacs-2020.2.ebuild 9916 BLAKE2B 1bface90982f6c78c024e92d9741b97a4658f037e73b9126a9cca33ee0169baec055ecbe21d307e3b79488241cd98b2d0a3df644fb330ffdc2819d360ddc981c SHA512 a41b93992725a08eea05125c4685b0c726fa0f1e284879d5ae6c20327ff19d681c135f736829fd546d122dd50587f9fff387220dc685f5989ceca1b45b2c4eba
 EBUILD gromacs-2020.9999.ebuild 9831 BLAKE2B 0d20f9e04a318eb2313d1b84adb9a747f4b70cc57446031da410e05bc37d2e3b53489110b803b69bcb235ea87dd913e9a7de6531c2e32b6afb9505c44a4d2dbe SHA512 c2edca500cd77e9b88f6b83cb4b3f11819adf313e4b68250d8b446466187e963bdd925665ca3aa532ae2c88b611f15b860f722cdf17c2b145d7cd58a56cb2c17
 EBUILD gromacs-9999.ebuild 9827 BLAKE2B 20a6e2e5b0d70a1c0ada0cafcb12eb170b99ebb37778f467dda1800cabb05d6a34d0dfef9bfaa04b5e6f3b781ed2e5eb97a1f61044e54e526559a9f9093be648 SHA512 19c73f34eda0ed83e58b67c7feb87e6540fb441806c27ae3b6b7d0e59c33cd220d87873fa3b3b9b5c72e8f9f73b778d41d69f21a3fded51a030d1ac6854bc2a2
 MISC metadata.xml 1192 BLAKE2B 560c1c792102747fc16c22d475114480b9897263405da05946721dae5b781c599a02e1401adfa4d929bfb41b4d52791376438aa37d33de18beabc9edbeb779fa SHA512 136c49bfaca76e714e811077c7f7d214a5984c7b6c891c79ad4a754c304752e17450c9aee100dafce04d7bf3893a53224ef9b54504a278654d59fae9acdd0f77
diff --git a/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild b/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild
index fab120420b28..9d71d0f73354 100644
--- a/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild
@@ -9,7 +9,7 @@ PYTHON_COMPAT=( python3_{6,7,8} )
 
 DISTUTILS_SINGLE_IMPL=1
 
-inherit bash-completion-r1 cmake-utils cuda distutils-r1 eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils
+inherit bash-completion-r1 cmake-utils cuda distutils-r1 eutils flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
 
 if [[ $PV = *9999* ]]; then
 	EGIT_REPO_URI="git://git.gromacs.org/gromacs.git
diff --git a/sci-chemistry/gromacs/gromacs-2020.2.ebuild b/sci-chemistry/gromacs/gromacs-2020.2.ebuild
index fab120420b28..9d71d0f73354 100644
--- a/sci-chemistry/gromacs/gromacs-2020.2.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.2.ebuild
@@ -9,7 +9,7 @@ PYTHON_COMPAT=( python3_{6,7,8} )
 
 DISTUTILS_SINGLE_IMPL=1
 
-inherit bash-completion-r1 cmake-utils cuda distutils-r1 eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils
+inherit bash-completion-r1 cmake-utils cuda distutils-r1 eutils flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils
 
 if [[ $PV = *9999* ]]; then
 	EGIT_REPO_URI="git://git.gromacs.org/gromacs.git
diff --git a/sci-chemistry/mdtraj/Manifest b/sci-chemistry/mdtraj/Manifest
index 9d178ddd5bc2..2380c38512ec 100644
--- a/sci-chemistry/mdtraj/Manifest
+++ b/sci-chemistry/mdtraj/Manifest
@@ -1,3 +1,5 @@
 DIST mdtraj-1.9.1.tar.gz 1985711 BLAKE2B 625b7c1da998bd46732604dcc93c76f970f3c79f10e81aa9f4b3051ee45101efea8afd803d539ba1831dac3e7ed208d7c3773f74189a3887063cbff2b4d79df6 SHA512 015d9d1e258a7a207ac3b7e7a81b87c308e8684ee0a173ae9b722a90910e95e7f2ee18158c163212fae39d093b0cf397293d6e713538acb1fd20a7b70f2adc76
+DIST mdtraj-1.9.4.tar.gz 2133297 BLAKE2B c1507246bf0c8d7f6753f3d505f940e6f2f001361e42f10c9775647a7e6b58edf2d3953a8e48932f6bf9ad90b27e1baf30df6a7c1a590e49a860175822a25360 SHA512 55f67546db20ce63da3af2231df459e9983e15a65da960784613f746dcce820fe6b0deffbb21b528e93fc6cf674dc7a25ee11110894d2a89e5504e20d200ca38
 EBUILD mdtraj-1.9.1.ebuild 902 BLAKE2B 2bbbf367b06fd0ae53c134d1ab214350e26675ae52f71c633f0a5102e36515976ba16e726e648c2b4ccddc4330f5eb1498f20441d034e5aa16f60a32223c07d9 SHA512 258e368468af7347ae1e27e1167aae3fe656c085533082ffe2cb3dc5e6e0538148602ccf45bda4fdb7d25f4a0b9bf8816f421b83dcaa84815a90cf06a727927b
+EBUILD mdtraj-1.9.4.ebuild 1069 BLAKE2B ab4010ead403045d3e29f48e862565475c7c6e648d59d2c7bf5d53d58fbb5444a5da73b10b5012d37062a1b08c7dbcd47475f3009573518c847b95437661d5e5 SHA512 859df401866e75f7c0d9500d97c6587cac20bd9cf57690cfbcd2226dbf3fdcd6c3d6b21e29269a9d992e8a5e1a4416d61b74c97f6a1f2b3b26e5ed962c4da282
 MISC metadata.xml 259 BLAKE2B dfc879984b6adce945d0e0a50f6ede2bca87147b9db99491359cdeccc2e74a20d56e14ae8903dbb80c94854f89bee539f14a4e3ce864204e277accf3f124a748 SHA512 19fb78cf4029c154954a40df40e28fc8d98a8b7e6b42f97259f664d44c29b284feffb9d073cadc7f90b5654a64b2466e186cb677d3a11830206f173eb9057706
diff --git a/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild b/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild
new file mode 100644
index 000000000000..5537daa6a536
--- /dev/null
+++ b/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild
@@ -0,0 +1,43 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+PYTHON_COMPAT=( python3_{6,7} )
+DISTUTILS_USE_SETUPTOOLS=rdepend
+
+inherit distutils-r1
+
+DESCRIPTION="Read, write and analyze MD trajectories with only a few lines of Python code"
+HOMEPAGE="http://mdtraj.org"
+SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE=""
+
+RDEPEND="
+	dev-python/astor[${PYTHON_USEDEP}]
+	dev-python/numpy[${PYTHON_USEDEP}]
+	dev-python/pandas[${PYTHON_USEDEP}]
+	dev-python/pytables[${PYTHON_USEDEP}]
+	dev-python/networkx[${PYTHON_USEDEP}]
+	sci-libs/scipy[${PYTHON_USEDEP}]
+"
+DEPEND="${RDEPEND}
+	test? (
+		dev-python/jupyter_client[${PYTHON_USEDEP}]
+		dev-python/nbformat[${PYTHON_USEDEP}]
+	)
+"
+
+distutils_enable_tests pytest
+
+# Tests fail (in previous ebuild versions they weren't even run
+RESTRICT="test"
+
+python_prepare() {
+	sed -e "s:re.match('build.*(mdtraj.*)', output_dir).group(1):'.':g" \
+		-i basesetup.py || die
+	distutils-r1_python_prepare_all
+}
diff --git a/sci-chemistry/nmrdepaker/Manifest b/sci-chemistry/nmrdepaker/Manifest
deleted file mode 100644
index 0348215f3e6d..000000000000
--- a/sci-chemistry/nmrdepaker/Manifest
+++ /dev/null
@@ -1,3 +0,0 @@
-DIST nmrdepaker-1.0.tar.gz 2233765 BLAKE2B 9b638a36fc50d7c020d56833b6ca78d7079ad357f42431088c4c0735b7e9ce63a0e6318915ec751b42e6628c0da76b93ca16ffea1ffe6b311480e8d278ce1a1a SHA512 9d1a9048a85f85eacaeeb582c5550345efa673b1f517dad121e2b2e19125f93e71a26f2f8240ea9b8a06489814eb833e7b3653f882a46bad699b01fd1aa4299f
-EBUILD nmrdepaker-1.0-r3.ebuild 988 BLAKE2B 37878502c166f163c8d0288635cfe01b9b05e2752424203f4cc327bf3309a62d054f44acaebdd5f5a6c2b8baf2216635e5bc5e72ac6af3e8f2b89105f388db50 SHA512 60ce7c8c486d15fd717705b007629d311ce7520e422806f347a14b6bb546c657fb0241f79371a7ec8e4ff37d24aa1fc5bea54a1a7d1ea8f416a06d2077cdeb0a
-MISC metadata.xml 216 BLAKE2B 0fbfa16661345362ff89f87adc0bb42fc5f5c9145cdedb36f3f537b39af4023b91c4dfb0d8e83a4f9ac963141f594ba8ae678371c338d992a96e02c11fd84195 SHA512 628a69805356b7458edaa2297901224178b016477a937f77e692a78ce3e7a0b6d2d7b4c4b7e70d0185d7112e6a59a5131e07d8c950e90b9c8722471d7511afc6
diff --git a/sci-chemistry/nmrdepaker/metadata.xml b/sci-chemistry/nmrdepaker/metadata.xml
deleted file mode 100644
index 020b40648ee8..000000000000
--- a/sci-chemistry/nmrdepaker/metadata.xml
+++ /dev/null
@@ -1,7 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
-	<maintainer type="person">
-		<email>pacho@gentoo.org</email>
-	</maintainer>
-</pkgmetadata>
diff --git a/sci-chemistry/nmrdepaker/nmrdepaker-1.0-r3.ebuild b/sci-chemistry/nmrdepaker/nmrdepaker-1.0-r3.ebuild
deleted file mode 100644
index 66a98a99cef1..000000000000
--- a/sci-chemistry/nmrdepaker/nmrdepaker-1.0-r3.ebuild
+++ /dev/null
@@ -1,41 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-DISTUTILS_SINGLE_IMPL="yes"
-PYTHON_COMPAT=( python2_7 )
-
-inherit desktop distutils-r1
-
-DESCRIPTION="Program to perform NMR spectra 'De-Pake-ing' and moment calculation"
-HOMEPAGE="https://launchpad.net/nmrdepaker"
-SRC_URI="https://launchpad.net/${PN}/${PV}/${PV}/+download/${P}.tar.gz"
-
-SLOT="0"
-LICENSE="GPL-3+"
-KEYWORDS="~amd64"
-IUSE=""
-
-RDEPEND="
-	$(python_gen_cond_dep '
-		|| (
-			>=dev-python/matplotlib-python2-0.98.5[gtk2,${PYTHON_MULTI_USEDEP}]
-			>=dev-python/matplotlib-0.98.5[gtk2,${PYTHON_MULTI_USEDEP}]
-		)
-		|| (
-			dev-python/numpy-python2[${PYTHON_MULTI_USEDEP}]
-			>=dev-python/numpy-1.2[${PYTHON_MULTI_USEDEP}]
-		)
-		>=dev-python/pygtk-2.12:2[${PYTHON_MULTI_USEDEP}]
-	')
-"
-DEPEND="${RDEPEND}"
-
-S="${WORKDIR}/nmrdpaker-${PV}"
-
-src_install() {
-	distutils-r1_src_install
-
-	newicon lib/data/images/unused/nmrfriend-buddy.svg ${PN}.svg
-	make_desktop_entry ${PN}
-}
diff --git a/sci-chemistry/nmrglue/Manifest b/sci-chemistry/nmrglue/Manifest
index 28eb26223654..ef6f4e0129d0 100644
--- a/sci-chemistry/nmrglue/Manifest
+++ b/sci-chemistry/nmrglue/Manifest
@@ -1,4 +1,6 @@
 AUX nmrglue-0.5-nohyper.patch 1408 BLAKE2B 8e91e270183ce8f4c361fd3577dc4942b2afab81ee8f59df5c8dd9056dbf639653d2e84f9dc04026636dda98e28a244586ba5bc2cd4ed5c43c8a31d0c0cab4d1 SHA512 f68ea345f2692123e24fc41335001a0a8418b84003d864e9d673935d4a517aa82353e08f4f554b33ddc18cea96c9442827715cdabad6303dc60f5dd18cd103dd
 DIST nmrglue-0.5.tar.gz 142604 BLAKE2B 9a018a73bea46176fc06042013cb23b3eeb962df8a595388da536d17f1d2d4d550065c5492df28de860ea1290314d2fa1110af349be0c2a8b1b31677b3e4afbc SHA512 2a4b94eb6bae966000bfdee4dd16f4e312568915fb5f19f59f84c6deff690703f54f76366d3f9299f7ec187192ff64f2bf62836617a424d4c5c895c67d819af2
+DIST nmrglue-0.7.tar.gz 166596 BLAKE2B 769dbe1330a2b610393cea07edcb7c997d219038ead0330e442b491b84a51f3d1ac0dd22a9399b1af2f97fbfbf0d24316bd834d71804b4607209c5d11f24939e SHA512 4d9959d151954f38efc7ea4f93539970bc75098403b0b5575f0c4ff6c2c25c1f08e207d2dee281109ffb2bdea53f2e7beb04e251cec1f638712dfe38430c23d5
 EBUILD nmrglue-0.5-r1.ebuild 740 BLAKE2B 1659c4d8ee0d0dd8c049aff32953694669d02259587443dabc59fd34d1616b84195f621647789e0f05e397121b6f03c2b859ab248b5c2aa8510fbbb18b7b2ae5 SHA512 295058d83b37c64df02011be40d1841714c6870306b08f8852c00e95ca1c182f1690d29c2b2b72acfefd1c10bc257f6182876c8729cabc8e9cf95ed1ade5e807
+EBUILD nmrglue-0.7.ebuild 594 BLAKE2B 5171f7324bc0416d0e1fb570f943b576c305b4efd55b903af3ab7492a2d1fed06325081012db75d5d4bac5a950769ee2c09c1c329fae94ed300484b49722b71b SHA512 1e511634315ff5af81b02d959a85d67f8c1edd76edf7f12425c6ee4ae92cd8bad1ccaee9d19147d5e5962787b4000d8f3f81f23b8b252259cfaf4549b44c2e8b
 MISC metadata.xml 1338 BLAKE2B 480651ef6112e93e3c70e734f4ca7d7b24653109f503fab6a340c9dc246b881b5ab103b90f8ffbc92a6d5352b399c15a33072292e549b4ffcc2689f049996cfd SHA512 7defa016b2c5f51327f282ef8dbb5f99767e554112baf10d72a6c86462d86bf7bd3129226340bbdb00f9e95b2349fc3594b6d0d8cd0175457bbb5f034e31aa7c
diff --git a/sci-chemistry/nmrglue/nmrglue-0.7.ebuild b/sci-chemistry/nmrglue/nmrglue-0.7.ebuild
new file mode 100644
index 000000000000..7772d64fc7d3
--- /dev/null
+++ b/sci-chemistry/nmrglue/nmrglue-0.7.ebuild
@@ -0,0 +1,25 @@
+# Copyright 1999-2020 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 module for working with NMR data in Python"
+HOMEPAGE="https://nmrglue.com/"
+SRC_URI="https://github.com/jjhelmus/nmrglue/releases/download/v${PV}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="BSD"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE=""
+
+RDEPEND="
+	dev-python/matplotlib[${PYTHON_USEDEP}]
+	dev-python/numpy[${PYTHON_USEDEP}]
+	sci-libs/scipy[${PYTHON_USEDEP}]
+"
+DEPEND="${RDEPEND}"
+
+distutils_enable_tests nose