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

[Pacho Ramos]

commit:     2f9434f3c9ad8d9064f752b5cbdac74c63ecd5c2
Author:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Sun Sep 17 16:42:54 2023 +0000
Commit:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Sun Sep 17 16:43:32 2023 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2f9434f3

sci-chemistry/chemex: add 2022.3.6

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

 sci-chemistry/chemex/Manifest               |  1 +
 sci-chemistry/chemex/chemex-2022.3.6.ebuild | 43 +++++++++++++++++++++++++++++
 2 files changed, 44 insertions(+)

diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index e700db25c152..58d94a4f645c 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1,2 +1,3 @@
 DIST chemex-2022.3.4.tar.gz 2845201 BLAKE2B 
91a76bdb54857710d482b14e36d24adec8706c385da7300d8cf7189426af28651877d487eb061e26656432575eb711de0e3a92724d1488d99efcdc8a682b59bd
 SHA512 
304af730149a2f6723bbe36c0deafb826392cd571a2b4245bb42e28612ceef3ee2ca989f1909ddc7709081f742a997469565ef7d02994fda8087372f29e1dfe1
 DIST chemex-2022.3.5.tar.gz 2845347 BLAKE2B 
29b53ba8afcfd91e4f50119f212557de85d8576474b74d2ad925c8c2adb89397640e7b352b6785dc99a8c4e5007294609640219b2374cbb3144f94c5f9113d96
 SHA512 
3a92702d105e95e0a7b15e01b839d5982df55477afb98e58f7458a0e87230e94597c01d33c219ae469ed62e4ddaecdb787ae435453d428843d5a612159715d2b
+DIST chemex-2022.3.6.tar.gz 2843118 BLAKE2B 
e51b385dbf9e3c42f54f95f9929125e3263e12afa62beab8e5b8eb13e78a4fe9a0fb445f4f6c3cd4aa8e71748732ec58124682daa86be079eed036b78492ca71
 SHA512 
5c734e1b3ea39e9729bada93dfe5bc55f877b69ba6edd9612f95aab0d31949489582957a14f175646c7e6652644a5a55c26bcd74affc7fecc1e7b9cfdd4ceb63

diff --git a/sci-chemistry/chemex/chemex-2022.3.6.ebuild 
b/sci-chemistry/chemex/chemex-2022.3.6.ebuild
new file mode 100644
index 000000000000..81b3e45f7856
--- /dev/null
+++ b/sci-chemistry/chemex/chemex-2022.3.6.ebuild
@@ -0,0 +1,43 @@
+# 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=pdm-backend
+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/${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="
+       $(python_gen_cond_dep '
+               >=dev-python/cachetools-5.3.1[${PYTHON_USEDEP}]
+               >=dev-python/lmfit-1.2.1[${PYTHON_USEDEP}]
+               >=dev-python/matplotlib-3.7.1[${PYTHON_USEDEP}]
+               >=dev-python/numpy-1.25.0[${PYTHON_USEDEP}]
+               >=dev-python/pydantic-2.0.1[${PYTHON_USEDEP}]
+               >=dev-python/rapidfuzz-3.1.1[${PYTHON_USEDEP}]
+               >=dev-python/rich-13.4.2[${PYTHON_USEDEP}]
+               >=dev-python/scipy-1.9.3[${PYTHON_USEDEP}]
+               >=dev-python/tomli-2.0.1[${PYTHON_USEDEP}]
+       ')
+"
+DEPEND="${RDEPEND}"
+
+distutils_enable_tests pytest
+
+export PDM_BUILD_SCM_VERSION=${PV}