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

[Pacho Ramos]

commit:     55315e21adb5c8f4f602396c3b5cd2d39e3169a8
Author:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Tue Oct 25 12:44:04 2022 +0000
Commit:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Tue Oct 25 12:44:04 2022 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55315e21

sci-chemistry/chemex: add 2022.1.0

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

 sci-chemistry/chemex/Manifest               |  1 +
 sci-chemistry/chemex/chemex-2022.1.0.ebuild | 42 +++++++++++++++++++++++++++++
 2 files changed, 43 insertions(+)

diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index 15228ef11c0e..a4c4e90f4929 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1,2 +1,3 @@
 DIST chemex-2021.4.0_p6.tar.gz 2395324 BLAKE2B 
adb08fdebe816b66359c8a567d7f7a4600715015e6f9b86b568cb8e3cd5e66b040895c09688a956cedd398a7c56a6d3a73d77f647a2f4e83280a91879a6184d0
 SHA512 
7d20ae73a2cf52f9d21b875cd661cefc14ce36ff603402e5dacad3e21bcb0bdb28f8f111414691b99f93196a971215d0beec3fff07535d3d781b4e7bb6782c52
 DIST chemex-2022.0.1.tar.gz 2840066 BLAKE2B 
05e3cd048a996b85e9a88297180bdd6e0b972619f5ac734d10a5744e7ab28fa2080bf6d6b53b69d04192ca420a24014f7eded0668ec716218ca4cc4877875ec9
 SHA512 
c2b49d83d618e69e43737b9d8b6a16de4fc46b481b2c65aaa4110bf425cd71bd5347240e7336855ec294ea126dd036262535645fca93ae352616f1a71b11e698
+DIST chemex-2022.1.0.tar.gz 2836330 BLAKE2B 
69c0e23a5195fca210e2c7c8c2f31196e23e416a8be47856589491586ae7de05ccd10982ec3d752015fc8a571dd6f0e63f52715452fc9388b38999532a5fdf12
 SHA512 
00d7f07b0c6d301d88ff2a1bebeb82fe9dc51c7deddf3db371f73b62d1156c5d369ffedb474bead618abde8334fab9e6e9ceb481f6b4bdac5eceeb7bee899b2a

diff --git a/sci-chemistry/chemex/chemex-2022.1.0.ebuild 
b/sci-chemistry/chemex/chemex-2022.1.0.ebuild
new file mode 100644
index 000000000000..a67b5eb6bbe8
--- /dev/null
+++ b/sci-chemistry/chemex/chemex-2022.1.0.ebuild
@@ -0,0 +1,42 @@
+# Copyright 1999-2022 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..10} )
+
+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[${PYTHON_USEDEP}]
+               >=dev-python/lmfit-1.0.3[${PYTHON_USEDEP}]
+               >=dev-python/matplotlib-3.6.1[${PYTHON_USEDEP}]
+               >=dev-python/numpy-1.23.4[${PYTHON_USEDEP}]
+               >=dev-python/pydantic-1.10.2[${PYTHON_USEDEP}]
+               >=dev-python/rapidfuzz-2.11.0[${PYTHON_USEDEP}]
+               >=dev-python/rich-12.6.0[${PYTHON_USEDEP}]
+               >=dev-python/scipy-1.9.3[${PYTHON_USEDEP}]
+               >=dev-python/tomli-2.0.1[${PYTHON_USEDEP}]
+       ')
+"
+DEPEND="${RDEPEND}"
+
+distutils_enable_tests pytest