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

[Pacho Ramos]

commit:     d54de49843f36df86fbb659b4736a5feb2fd8cdd
Author:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Sun Jun 16 08:37:26 2024 +0000
Commit:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Sun Jun 16 09:17:39 2024 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=d54de498

sci-chemistry/chemex: add 2024.05.3

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

 sci-chemistry/chemex/Manifest                |  1 +
 sci-chemistry/chemex/chemex-2024.05.3.ebuild | 45 ++++++++++++++++++++++++++++
 2 files changed, 46 insertions(+)

diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index 3d463ece47fe..55e75bcc6fa8 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1,3 +1,4 @@
 DIST chemex-2022.3.6.tar.gz 2843118 BLAKE2B 
e51b385dbf9e3c42f54f95f9929125e3263e12afa62beab8e5b8eb13e78a4fe9a0fb445f4f6c3cd4aa8e71748732ec58124682daa86be079eed036b78492ca71
 SHA512 
5c734e1b3ea39e9729bada93dfe5bc55f877b69ba6edd9612f95aab0d31949489582957a14f175646c7e6652644a5a55c26bcd74affc7fecc1e7b9cfdd4ceb63
 DIST chemex-2024.02.16.tar.gz 2756466 BLAKE2B 
715499fc3c68079dd66b26a0c4c495029c506be6f009529196fd30a1ec8ff4c0ecbcc4580c9beafd4f3c7df82d6fee525d85c09b031a6dc31d511c1183d30f8d
 SHA512 
7975157b86493c580ce00ef23549597743ff4aa03cebed7d0e0af1d644eed359b5dfa57c51e11f223acebe335d12cb43bd7694a46eeb2ccba70ac6147ba40eda
 DIST chemex-2024.05.2.tar.gz 2757082 BLAKE2B 
e231f2b4da566b633cdd10c54f413b319847e86ab909b81ca78e0cf5c368f4cd039fc26d4214f464de1ca618ea5bbd8579e9bfeaa4a97e01ef3ddecb1d8c8227
 SHA512 
29e137a1d275f5c6b078081350b8d9a6f9172858adb744afdbbdbbe94dc9953f1fb37ad49e10f2d39db89e90c2c8d5b17a53ec9be337772bb531052ae4ab86f1
+DIST chemex-2024.05.3.tar.gz 2757407 BLAKE2B 
8f98cda5158224bf06b4e81271157b7d6dd6c28526a6fd0362090d51d2fb2402a5dffc422862f129ffe7db22ec87ee49a12a1bd1a812e88014d4b1956e626ff7
 SHA512 
f2a29c03d9375b440206e1cd08d0f656ec6f9c627b15645663ee0d249731adb9619fa2ad5792e55e7219e11165d20a7d25b00ee9766daf580490cb4c8ea77ebf

diff --git a/sci-chemistry/chemex/chemex-2024.05.3.ebuild 
b/sci-chemistry/chemex/chemex-2024.05.3.ebuild
new file mode 100644
index 000000000000..449970b2c4ce
--- /dev/null
+++ b/sci-chemistry/chemex/chemex-2024.05.3.ebuild
@@ -0,0 +1,45 @@
+# Copyright 1999-2024 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+DISTUTILS_SINGLE_IMPL="yes"
+DISTUTILS_USE_PEP517=pdm-backend
+PYTHON_COMPAT=( python3_{11..12} )
+
+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}"
+
+LICENSE="BSD"
+SLOT="0"
+KEYWORDS="~amd64"
+IUSE="test"
+
+#RESTRICT="!test? ( test )"
+# FIXME: Restrict until tests are readded 
https://github.com/gbouvignies/ChemEx/issues/51
+RESTRICT="test"
+
+RDEPEND="
+       $(python_gen_cond_dep '
+               >=dev-python/annotated-types-0.6.0[${PYTHON_USEDEP}]
+               >=dev-python/cachetools-5.3.3[${PYTHON_USEDEP}]
+               >=dev-python/emcee-3.1.4[${PYTHON_USEDEP}]
+               >=dev-python/lmfit-1.2.2[${PYTHON_USEDEP}]
+               >=dev-python/matplotlib-3.8.4[${PYTHON_USEDEP}]
+               >=dev-python/numpy-1.26.4[${PYTHON_USEDEP}]
+               >=dev-python/pydantic-2.6.4[${PYTHON_USEDEP}]
+               >=dev-python/rapidfuzz-3.7.0[${PYTHON_USEDEP}]
+               >=dev-python/rich-13.7.1[${PYTHON_USEDEP}]
+               >=dev-python/scipy-1.13.0[${PYTHON_USEDEP}]
+               >=dev-python/tomli-2.0.1[${PYTHON_USEDEP}]
+       ')
+"
+DEPEND="${RDEPEND}"
+
+distutils_enable_tests pytest
+
+export PDM_BUILD_SCM_VERSION=${PV}