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Diffstat (limited to 'sci-chemistry/chemex/chemex-2022.3.4.ebuild')
| -rw-r--r-- | sci-chemistry/chemex/chemex-2022.3.4.ebuild | 42 |
1 files changed, 42 insertions, 0 deletions
diff --git a/sci-chemistry/chemex/chemex-2022.3.4.ebuild b/sci-chemistry/chemex/chemex-2022.3.4.ebuild new file mode 100644 index 000000000000..3df32b1ac247 --- /dev/null +++ b/sci-chemistry/chemex/chemex-2022.3.4.ebuild @@ -0,0 +1,42 @@ +# 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=poetry +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/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-5.3.0[${PYTHON_USEDEP}] + >=dev-python/lmfit-1.2.0[${PYTHON_USEDEP}] + >=dev-python/matplotlib-3.7.1[${PYTHON_USEDEP}] + >=dev-python/numpy-1.24.2[${PYTHON_USEDEP}] + >=dev-python/pydantic-1.10.7[${PYTHON_USEDEP}] + >=dev-python/rapidfuzz-3.0.0[${PYTHON_USEDEP}] + >=dev-python/rich-13.3.4[${PYTHON_USEDEP}] + >=dev-python/scipy-1.10.1[${PYTHON_USEDEP}] + >=dev-python/tomli-2.0.1[${PYTHON_USEDEP}] + ') +" +DEPEND="${RDEPEND}" + +distutils_enable_tests pytest |