From: "Pacho Ramos" <pacho@gentoo.org>
To: gentoo-commits@lists.gentoo.org
Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/GromacsWrapper/
Date: Sun, 17 Sep 2023 16:29:40 +0000 (UTC) [thread overview]
Message-ID: <1694968165.dde2c49ecaeccc7ce8fd503f2aa14b2e9247ea5c.pacho@gentoo> (raw)
commit: dde2c49ecaeccc7ce8fd503f2aa14b2e9247ea5c
Author: Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Sun Sep 17 16:09:55 2023 +0000
Commit: Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Sun Sep 17 16:29:25 2023 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=dde2c49e
sci-chemistry/GromacsWrapper: add 0.8.5
Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org>
.../GromacsWrapper/GromacsWrapper-0.8.5.ebuild | 40 ++++++++++++++++++++++
sci-chemistry/GromacsWrapper/Manifest | 1 +
2 files changed, 41 insertions(+)
diff --git a/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.5.ebuild b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.5.ebuild
new file mode 100644
index 000000000000..e5c508fd6ca1
--- /dev/null
+++ b/sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.5.ebuild
@@ -0,0 +1,40 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{9..11} )
+DISTUTILS_USE_PEP517=setuptools
+
+if [[ ${PV} = *9999* ]]; then
+ scm_eclass=git-r3
+ EGIT_REPO_URI="https://github.com/Becksteinlab/${PN}.git"
+ EGIT_BRANCH="develop"
+ SRC_URI=""
+else
+ scm_eclass=vcs-snapshot
+ SRC_URI="https://github.com/Becksteinlab/${PN}/archive/release-${PV}.tar.gz -> ${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86"
+fi
+
+inherit distutils-r1 ${scm_eclass}
+
+DESCRIPTION="Python framework for Gromacs"
+HOMEPAGE="https://gromacswrapper.readthedocs.io"
+
+LICENSE="GPL-3 LGPL-3"
+SLOT="0"
+IUSE=""
+
+RDEPEND="
+ dev-python/six[${PYTHON_USEDEP}]
+ dev-python/numpy[${PYTHON_USEDEP}]
+ dev-python/matplotlib[${PYTHON_USEDEP}]
+ sci-libs/numkit[${PYTHON_USEDEP}]
+"
+BDEPEND="
+ ${RDEPEND}
+ test? ( >=dev-python/pandas-0.17[${PYTHON_USEDEP}] )
+"
+
+distutils_enable_tests pytest
diff --git a/sci-chemistry/GromacsWrapper/Manifest b/sci-chemistry/GromacsWrapper/Manifest
index 413b6307fb54..d6ee7a0cfe65 100644
--- a/sci-chemistry/GromacsWrapper/Manifest
+++ b/sci-chemistry/GromacsWrapper/Manifest
@@ -1,2 +1,3 @@
DIST GromacsWrapper-0.8.2.tar.gz 1954926 BLAKE2B c05995667f925a7519e07e59519e985693effa2fd511d228d236bff978d05430d422003e1360f9fda26564e40bb69183ae8e9b7334e0427c2b177f019df38a6a SHA512 b8a3e7da43eaabaf0fe12f4c06ff80f018847f9386c16eb66c96b3840c66b79d02ee47e675c08ed81df0ef495261c3b557d64c62caac0e484f661ef6b3a5be73
DIST GromacsWrapper-0.8.4.tar.gz 1955167 BLAKE2B 59f0301263eefaa4d7c139b34a48172c218a76f0f9488477d6203d9cd732098468dae5a73ff46aa74eb2b4433268c77bc265e506129e4c14a357042453d5f97f SHA512 822edc33c77ca4dbfbc1e4172686744345ed3c0d2305f4b19abab15576a1433bbb3b23b96f637398ad4f72cd5414d96ee531ab4a329d3acb462d90b95437a6a5
+DIST GromacsWrapper-0.8.5.tar.gz 1958570 BLAKE2B b8f79721a7566117206818144fc7087c4634d7fb71c77abef63dd9565a0655ce6b4a259ea5bf9cb3b5bc13df8f428f58e514f7871192d27a6d463e758e27f4b3 SHA512 8800afdbe92edad35df58e825546797ede1738b9029df0fb57a96e377d7be94f3d21fe1df9d5cb4490d12b984972d63d87e673d3d33af60a7dc8d0453574a5c6
next reply other threads:[~2023-09-17 16:29 UTC|newest]
Thread overview: 18+ messages / expand[flat|nested] mbox.gz Atom feed top
2023-09-17 16:29 Pacho Ramos [this message]
-- strict thread matches above, loose matches on Subject: below --
2025-04-03 10:09 [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/GromacsWrapper/ Alexey Shvetsov
2024-09-25 9:33 Andrew Ammerlaan
2024-09-25 9:33 Andrew Ammerlaan
2023-09-17 16:29 Pacho Ramos
2023-06-19 14:00 Pacho Ramos
2023-05-04 12:57 Pacho Ramos
2022-10-29 15:04 Alexey Shvetsov
2022-01-13 16:13 Alexey Shvetsov
2022-01-13 16:13 Alexey Shvetsov
2021-04-17 20:08 Pacho Ramos
2021-04-12 1:09 Sam James
2021-04-03 15:44 Sam James
2020-01-16 6:39 Michał Górny
2019-08-23 13:18 Alexey Shvetsov
2018-09-03 21:20 Alexey Shvetsov
2017-07-30 10:04 Michał Górny
2016-07-19 10:38 Alexey Shvetsov
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