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Diffstat (limited to 'sci-chemistry/chemex/chemex-2026.5.0.ebuild')
| -rw-r--r-- | sci-chemistry/chemex/chemex-2026.5.0.ebuild | 40 |
1 files changed, 40 insertions, 0 deletions
diff --git a/sci-chemistry/chemex/chemex-2026.5.0.ebuild b/sci-chemistry/chemex/chemex-2026.5.0.ebuild new file mode 100644 index 000000000000..f822b9f3cf17 --- /dev/null +++ b/sci-chemistry/chemex/chemex-2026.5.0.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_{10..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 |
