[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/chemex/

[Pacho Ramos]

commit:     67f696be682476e9b31d131ac7b62f13c969c146
Author:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Mon Apr 17 14:51:55 2023 +0000
Commit:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Mon Apr 17 14:52:17 2023 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=67f696be

sci-chemistry/chemex: add 2022.3.1

Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org>

 sci-chemistry/chemex/Manifest               |  1 +
 sci-chemistry/chemex/chemex-2022.3.1.ebuild | 42 +++++++++++++++++++++++++++++
 2 files changed, 43 insertions(+)

diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index cce7ddf724f5..6aa2050ef8e4 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1,2 +1,3 @@
 DIST chemex-2022.2.0.tar.gz 2837302 BLAKE2B 
611e51a3a29dd479119dd0b2fa7aa0eae08aa59806cc26f61feda7aca7b2a94b6cc75458ec753f989ee1076b3fa49998d7fed26de1a1408432fd416d364a8f8a
 SHA512 
52d3d8e4edd148c0e93a8c4ba4a0a487df76e332155994dc347af5e65e3baebbc39617a653853c6f5787e571c0dda756dfdec35446bc00fe9965ae1c2e8192f0
 DIST chemex-2022.3.0.tar.gz 2842921 BLAKE2B 
d0fe809ed64ee86ef319bd76c33dea1e75de13fc7cdf7e77d8cb74e4c76b66edd6e3c535df405a66bfc228780f34ee18a56639241ae8c234ac4128ed4ba806f3
 SHA512 
93a8e362ec024a3d49e2792e485b3a7808944fb02c41dae0d0b2af14ccb00b95d9edddc47eef0f08d1040b08cf6078be74b45185be84b495ead96c951ee52515
+DIST chemex-2022.3.1.tar.gz 2845188 BLAKE2B 
dbc6c73f1c8702a027c647b6c9a64a00a0ba5ce64edddd16fc68062b3bc4cff95f4c643d57b28d74f3bcda7b24ab99ce9bc28baad950b9cca1356e6b8a36be17
 SHA512 
f398a3402e11157950b599325c2152a2b47221cb2b926510fd4494554399aaf404de871c83f23fff86be8124e1151903cb6378c118fdecec55f4110cdbf74647

diff --git a/sci-chemistry/chemex/chemex-2022.3.1.ebuild 
b/sci-chemistry/chemex/chemex-2022.3.1.ebuild
new file mode 100644
index 000000000000..680825ce6e05
--- /dev/null
+++ b/sci-chemistry/chemex/chemex-2022.3.1.ebuild
@@ -0,0 +1,42 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+DISTUTILS_SINGLE_IMPL="yes"
+DISTUTILS_USE_PEP517=poetry
+PYTHON_COMPAT=( python3_{9..11} )
+
+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/refs/tags/v${PV/_p/-dev}.tar.gz
 -> ${P}.tar.gz"
+S="${WORKDIR}/ChemEx-${PV/_p/-dev}"
+
+SLOT="0"
+LICENSE="BSD"
+KEYWORDS="~amd64"
+IUSE="test"
+
+#RESTRICT="!test? ( test )"
+# FIXME: Restrict until tests are readded 
https://github.com/gbouvignies/ChemEx/issues/51
+RESTRICT="test"
+
+RDEPEND="
+       $(python_gen_cond_dep '
+               >=dev-python/asteval-0.9.25[${PYTHON_USEDEP}]
+               >=dev-python/cachetools-5.3.0[${PYTHON_USEDEP}]
+               >=dev-python/lmfit-1.2.0[${PYTHON_USEDEP}]
+               >=dev-python/matplotlib-3.7.1[${PYTHON_USEDEP}]
+               >=dev-python/numpy-1.24.2[${PYTHON_USEDEP}]
+               >=dev-python/pydantic-1.10.7[${PYTHON_USEDEP}]
+               >=dev-python/rapidfuzz-2.15.1[${PYTHON_USEDEP}]
+               >=dev-python/rich-13.3.4[${PYTHON_USEDEP}]
+               >=dev-python/scipy-1.10.1[${PYTHON_USEDEP}]
+               >=dev-python/tomli-2.0.1[${PYTHON_USEDEP}]
+       ')
+"
+DEPEND="${RDEPEND}"
+
+distutils_enable_tests pytest