From 35c53b263ca449cfa6602fc548d89f839eaae5ee Mon Sep 17 00:00:00 2001
From: Alexey Shvetsov <alexxy@gentoo.org>
Date: Wed, 1 Jul 2020 01:29:39 +0300
Subject: sci-chemistry/propka: Version bump

Package-Manager: Portage-2.3.103, Repoman-2.3.23
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
---
 sci-chemistry/propka/Manifest                  |  2 +-
 sci-chemistry/propka/metadata.xml              | 12 +++++---
 sci-chemistry/propka/propka-3.1_p140511.ebuild | 37 ------------------------
 sci-chemistry/propka/propka-3.2.0.ebuild       | 40 ++++++++++++++++++++++++++
 4 files changed, 49 insertions(+), 42 deletions(-)
 delete mode 100644 sci-chemistry/propka/propka-3.1_p140511.ebuild
 create mode 100644 sci-chemistry/propka/propka-3.2.0.ebuild

diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest
index 7e3748e1a98b..4141de909047 100644
--- a/sci-chemistry/propka/Manifest
+++ b/sci-chemistry/propka/Manifest
@@ -1 +1 @@
-DIST propka-3.1_p140511.tar.xz 151284 BLAKE2B 16b3528fb9ac224632f99c665c98b2349e49af92479a0b1ec411a08196724c14ba35199c69280d9f1c7e6126a347eede70e229ebd76392d887fe8bef7aad9283 SHA512 c2938af41ed386e267cd045b14e34779889b3c206016d747b68c400f2c8b37bd50cc3b74d055d931476065ac6817a2dd2cb87d68de9911adfff1c8e34a667fc3
+DIST propka-3.2.0.tar.gz 73746 BLAKE2B f79e493d5a195b81dc5d11cc21b9ab16c8d1fa48f15f7e23e2b2936dfb8634fdb00c7838b8dbdb4a68726dab0f16e54522ad71d71b3273ac93c03a737ae06f04 SHA512 98f2240b28b33bab94cdbe9392062bb7f6b87e75b94c2af91e178f874a74d210601161ebc835c4d751b89d37b32348fdfb096e28cbf8e9237b3f472d3fb6b4fc
diff --git a/sci-chemistry/propka/metadata.xml b/sci-chemistry/propka/metadata.xml
index 8937bad0b175..6bfad85b4001 100644
--- a/sci-chemistry/propka/metadata.xml
+++ b/sci-chemistry/propka/metadata.xml
@@ -1,8 +1,12 @@
 <?xml version="1.0" encoding="UTF-8"?>
 <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
 <pkgmetadata>
-  <maintainer type="project">
-    <email>sci-chemistry@gentoo.org</email>
-    <name>Gentoo Chemistry Project</name>
-  </maintainer>
+	<maintainer type="project">
+		<email>sci-chemistry@gentoo.org</email>
+		<name>Gentoo Chemistry Project</name>
+	</maintainer>
+	<upstream>
+		<remote-id type="pypi">propka</remote-id>
+		<remote-id type="github">jensengroup/propka</remote-id>
+	</upstream>
 </pkgmetadata>
diff --git a/sci-chemistry/propka/propka-3.1_p140511.ebuild b/sci-chemistry/propka/propka-3.1_p140511.ebuild
deleted file mode 100644
index 4b90e9aeab97..000000000000
--- a/sci-chemistry/propka/propka-3.1_p140511.ebuild
+++ /dev/null
@@ -1,37 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit distutils-r1
-
-DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
-HOMEPAGE="http://propka.ki.ku.dk/"
-SRC_URI="https://dev.gentoo.org/~jlec/distfiles/${P}.tar.xz"
-
-SLOT="0"
-LICENSE="all-rights-reserved"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE=""
-
-DEPEND="dev-python/setuptools[${PYTHON_USEDEP}]"
-
-RESTRICT="mirror bindist"
-
-python_prepare_all() {
-	sed -e "/exclude/s:scripts:\', \'Tests:g" \
-		-i setup.py || die
-	distutils-r1_python_prepare_all
-}
-
-python_test() {
-	cd Tests || die
-	${PYTHON} runtest.py || die
-}
-
-python_install_all() {
-	dosym ${PN}31 /usr/bin/${PN}
-	distutils-r1_python_install_all
-}
diff --git a/sci-chemistry/propka/propka-3.2.0.ebuild b/sci-chemistry/propka/propka-3.2.0.ebuild
new file mode 100644
index 000000000000..b5dadd1825d2
--- /dev/null
+++ b/sci-chemistry/propka/propka-3.2.0.ebuild
@@ -0,0 +1,40 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+PYTHON_COMPAT=( python3_{7,8} )
+
+inherit distutils-r1
+
+DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
+HOMEPAGE="https://github.com/jensengroup/propka"
+SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="LGPL-2.1"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="test"
+
+RESTRICT="!test? ( test )"
+
+RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]"
+BDEPEND="test? (
+			${RDEPEND}
+			dev-python/pandas[${PYTHON_USEDEP}]
+)"
+
+python_prepare_all() {
+	sed -e "/exclude/s:scripts:\', \'Tests:g" \
+		-i setup.py || die
+	distutils-r1_python_prepare_all
+}
+
+python_test() {
+	cd Tests || die
+	${PYTHON} runtest.py || die
+}
+
+python_install_all() {
+	distutils-r1_python_install_all
+}
-- 
cgit v1.2.3-65-gdbad