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

["Pacho Ramos" <pacho@gentoo.org>]

commit:     cd9a85ffdfbc92f2e5b1f0e5f343c8ed17204f4b
Author:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Sun Feb 26 15:34:25 2023 +0000
Commit:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Sun Feb 26 15:51:33 2023 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=cd9a85ff

sci-chemistry/chemex: add 2022.3.0

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

 sci-chemistry/chemex/Manifest               |  1 +
 sci-chemistry/chemex/chemex-2022.3.0.ebuild | 42 +++++++++++++++++++++++++++++
 2 files changed, 43 insertions(+)

diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index 870c91e9b3c6..43972ba7069c 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1,3 +1,4 @@
 DIST chemex-2022.0.1.tar.gz 2840066 BLAKE2B 05e3cd048a996b85e9a88297180bdd6e0b972619f5ac734d10a5744e7ab28fa2080bf6d6b53b69d04192ca420a24014f7eded0668ec716218ca4cc4877875ec9 SHA512 c2b49d83d618e69e43737b9d8b6a16de4fc46b481b2c65aaa4110bf425cd71bd5347240e7336855ec294ea126dd036262535645fca93ae352616f1a71b11e698
 DIST chemex-2022.1.0.tar.gz 2836330 BLAKE2B 69c0e23a5195fca210e2c7c8c2f31196e23e416a8be47856589491586ae7de05ccd10982ec3d752015fc8a571dd6f0e63f52715452fc9388b38999532a5fdf12 SHA512 00d7f07b0c6d301d88ff2a1bebeb82fe9dc51c7deddf3db371f73b62d1156c5d369ffedb474bead618abde8334fab9e6e9ceb481f6b4bdac5eceeb7bee899b2a
 DIST chemex-2022.2.0.tar.gz 2837302 BLAKE2B 611e51a3a29dd479119dd0b2fa7aa0eae08aa59806cc26f61feda7aca7b2a94b6cc75458ec753f989ee1076b3fa49998d7fed26de1a1408432fd416d364a8f8a SHA512 52d3d8e4edd148c0e93a8c4ba4a0a487df76e332155994dc347af5e65e3baebbc39617a653853c6f5787e571c0dda756dfdec35446bc00fe9965ae1c2e8192f0
+DIST chemex-2022.3.0.tar.gz 2842921 BLAKE2B d0fe809ed64ee86ef319bd76c33dea1e75de13fc7cdf7e77d8cb74e4c76b66edd6e3c535df405a66bfc228780f34ee18a56639241ae8c234ac4128ed4ba806f3 SHA512 93a8e362ec024a3d49e2792e485b3a7808944fb02c41dae0d0b2af14ccb00b95d9edddc47eef0f08d1040b08cf6078be74b45185be84b495ead96c951ee52515

diff --git a/sci-chemistry/chemex/chemex-2022.3.0.ebuild b/sci-chemistry/chemex/chemex-2022.3.0.ebuild
new file mode 100644
index 000000000000..172721dca8e1
--- /dev/null
+++ b/sci-chemistry/chemex/chemex-2022.3.0.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-5.2.0[${PYTHON_USEDEP}]
+		>=dev-python/lmfit-1.1.0[${PYTHON_USEDEP}]
+		>=dev-python/matplotlib-3.6.2[${PYTHON_USEDEP}]
+		>=dev-python/numpy-1.24.1[${PYTHON_USEDEP}]
+		>=dev-python/pydantic-1.10.4[${PYTHON_USEDEP}]
+		>=dev-python/rapidfuzz-2.13.7[${PYTHON_USEDEP}]
+		>=dev-python/rich-13.0.0[${PYTHON_USEDEP}]
+		>=dev-python/scipy-1.10.0[${PYTHON_USEDEP}]
+		>=dev-python/tomli-2.0.1[${PYTHON_USEDEP}]
+	')
+"
+DEPEND="${RDEPEND}"
+
+distutils_enable_tests pytest