diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest index d42c2e0b86b8d..02aa6a4aa6892 100644 --- a/sci-chemistry/chemex/Manifest +++ b/sci-chemistry/chemex/Manifest @@ -1,2 +1,3 @@ DIST chemex-2025.10.0.tar.gz 110113 BLAKE2B 7dbc970db0e869ed23c495724166576772ebdf71211bb07c986acd5c2022fe1e99923405236daf8727b9ec98feeb77deb920953b48201c97d7d19710d6a6633c SHA512 54fae8d8f07341f62139f8160f22f255d9c78743a2cb7dd8e5204919436937acb8d1b88535740ab7d0e99406f49bfda80ded81264f4588b4790c8667fc6a9bfc DIST chemex-2026.1.0.tar.gz 128905 BLAKE2B f57dfeb5abb56382910a501ad5e8e71a6fa4e684ca41d0a055a1ec961c1e3b7c1d80efe2af21077baff1844771f5aac6a0ce04ca99bee72071f6d248eee28056 SHA512 e435ee1c47f0771d03a428a66a94473e7086eee842a39e980af5112c0f715b2e405a14fcd6202ec7bba8236f0626b0255d49eb76ed02c46b7c8c48c92b589e72 +DIST chemex-2026.3.0.tar.gz 133145 BLAKE2B 4e452a1e3cfaadf230b2c66db6bd56cb438e3641c0b8f9a810b16cf9bfe626efc5bdee936249d110292abb3a4789621184b862edb420e6a576b200d005375fcb SHA512 8bc8ba1c01f64cfe349349f37ba78f20f16b841cbc3d2171305307478e4b165612e4833c0a8f95b39f75ef33282a66baa3222651642d2c38eae3be6cb5e27b6d diff --git a/sci-chemistry/chemex/chemex-2026.3.0.ebuild b/sci-chemistry/chemex/chemex-2026.3.0.ebuild new file mode 100644 index 0000000000000..ad9ff99811c49 --- /dev/null +++ b/sci-chemistry/chemex/chemex-2026.3.0.ebuild @@ -0,0 +1,40 @@ +# Copyright 1999-2026 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +DISTUTILS_SINGLE_IMPL="yes" +DISTUTILS_USE_PEP517=uv-build +PYTHON_COMPAT=( python3_{13..14} ) + +inherit distutils-r1 pypi + +DESCRIPTION="Program to fit chemical exchange induced shift and relaxation data" +HOMEPAGE="https://github.com/gbouvignies/chemex https://pypi.org/project/chemex/" + +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=" + $(python_gen_cond_dep ' + >=dev-python/annotated-types-0.7.0[${PYTHON_USEDEP}] + >=dev-python/cachetools-5.5.1[${PYTHON_USEDEP}] + >=dev-python/emcee-3.1.6[${PYTHON_USEDEP}] + >=dev-python/lmfit-1.3.2[${PYTHON_USEDEP}] + >=dev-python/matplotlib-3.10.0[${PYTHON_USEDEP}] + >=dev-python/numpy-2.2.3[${PYTHON_USEDEP}] + >=dev-python/pydantic-2.10.6[${PYTHON_USEDEP}] + >=dev-python/rapidfuzz-3.12.1[${PYTHON_USEDEP}] + >=dev-python/rich-13.9.4[${PYTHON_USEDEP}] + >=dev-python/scipy-1.15.2[${PYTHON_USEDEP}] + ') +" +DEPEND="${RDEPEND}" + +distutils_enable_tests pytest