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authorAlexey Shvetsov <alexxy@gentoo.org>2022-02-16 16:00:50 +0300
committerAlexey Shvetsov <alexxy@gentoo.org>2022-02-16 16:01:10 +0300
commit56e52196c684140f7a9dbee002763c83579b0d62 (patch)
treecba98586286f4014ca14df473f15da812cf16142 /sci-chemistry
parentsys-kernel/vanilla-sources: Linux 5.15.24 and 5.16.10 (diff)
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sci-chemistry/ParmEd: Initial import
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/ParmEd/Manifest1
-rw-r--r--sci-chemistry/ParmEd/ParmEd-3.4.3.ebuild22
-rw-r--r--sci-chemistry/ParmEd/metadata.xml12
3 files changed, 35 insertions, 0 deletions
diff --git a/sci-chemistry/ParmEd/Manifest b/sci-chemistry/ParmEd/Manifest
new file mode 100644
index 000000000000..3b5e676eac0f
--- /dev/null
+++ b/sci-chemistry/ParmEd/Manifest
@@ -0,0 +1 @@
+DIST ParmEd-3.4.3.tar.gz 42174964 BLAKE2B 4f425156318595217c9fde3f65f7c147bea3c73404269bf31567cbfb17020dba6f06d66dc5b514483df1eeedb56f87243df0274782363ca427a740837fcc1c32 SHA512 489996555d05f88dce2304e65455424b1acd746ad7b55d5a42e36705bce812c8aa51c293afad8307f9ab1ecdeade3072d00c194eb2c567528e1fe596defbd1da
diff --git a/sci-chemistry/ParmEd/ParmEd-3.4.3.ebuild b/sci-chemistry/ParmEd/ParmEd-3.4.3.ebuild
new file mode 100644
index 000000000000..e344e71ef07e
--- /dev/null
+++ b/sci-chemistry/ParmEd/ParmEd-3.4.3.ebuild
@@ -0,0 +1,22 @@
+# Copyright 2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{8..10} )
+
+inherit distutils-r1
+
+DESCRIPTION="Parameter and topology file editor and molecular mechanical simulator engine"
+HOMEPAGE="https://parmed.github.io/ParmEd/html/index.html"
+SRC_URI="https://github.com/${PN}/${PN}/archive/refs/tags/${PV}.tar.gz -> ${P}.tar.gz"
+
+LICENSE="LGPL-2"
+SLOT="0"
+KEYWORDS="~amd64"
+
+DEPEND=""
+RDEPEND="${DEPEND}"
+BDEPEND=""
+
+distutils_enable_tests pytest
diff --git a/sci-chemistry/ParmEd/metadata.xml b/sci-chemistry/ParmEd/metadata.xml
new file mode 100644
index 000000000000..22631b58bc2b
--- /dev/null
+++ b/sci-chemistry/ParmEd/metadata.xml
@@ -0,0 +1,12 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <maintainer type="person">
+ <email>alexxy@gentoo.org</email>
+ <name>Alexey Shvetsov</name>
+ </maintainer>
+ <maintainer type="project">
+ <email>sci-chemistry@gentoo.org</email>
+ <name>Gentoo Chemistry Project</name>
+ </maintainer>
+</pkgmetadata>