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-rw-r--r--sci-chemistry/chemex/Manifest1
-rw-r--r--sci-chemistry/chemex/chemex-2021.4.0_p2.ebuild43
2 files changed, 44 insertions, 0 deletions
diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest
index 1f128ac7b06..f94b55c1ceb 100644
--- a/sci-chemistry/chemex/Manifest
+++ b/sci-chemistry/chemex/Manifest
@@ -1 +1,2 @@
DIST chemex-2018.10.3.tar.gz 546696 BLAKE2B d283cfb94118686f1974780249641e0ea6f86cdb854c4a256897e361a300a94506813a5035ee2f300fca13263e8452b77e7a0817436cbd620ba16d801a541af7 SHA512 784bd03b354724d6aa52d663c6f661f865d4ef7ca345573bc8aae9ef63e5dbb3e65abba364de3ff441b78adfa588344c718809c5880b3fc70d8ed24be06a0826
+DIST chemex-2021.4.0_p2.tar.gz 2384471 BLAKE2B 1eb609c4e4ad9ac0f7cac8ab523e72e8ab9c12d40671fd598cd26b8de2a3d6e68dfdcaee9202521fc583068f591377842b3e7b9f0e1f95e6cba8da9b0c6d63a4 SHA512 568072eaf0d1c666de2aedacc50cd98da15631e0ef15ba60414be671ac97a50967e5b4d6d00340b1263f730b3a803ccc8995fbb86cfc47517b9521c9920641c8
diff --git a/sci-chemistry/chemex/chemex-2021.4.0_p2.ebuild b/sci-chemistry/chemex/chemex-2021.4.0_p2.ebuild
new file mode 100644
index 00000000000..8b5e04b8b08
--- /dev/null
+++ b/sci-chemistry/chemex/chemex-2021.4.0_p2.ebuild
@@ -0,0 +1,43 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+DISTUTILS_SINGLE_IMPL="yes"
+PYTHON_COMPAT=( python3_{8..10} )
+DISTUTILS_USE_SETUPTOOLS=pyproject.toml
+
+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/${PV/_p/-dev}.tar.gz -> ${P}.tar.gz"
+
+SLOT="0"
+LICENSE="BSD"
+KEYWORDS="~amd64"
+IUSE="test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ $(python_gen_cond_dep '
+ >=dev-python/asteval-0.9.11[${PYTHON_USEDEP}]
+ >=dev-python/jsonschema-3.2.0[${PYTHON_USEDEP}]
+ >=dev-python/lmfit-1.0.2[${PYTHON_USEDEP}]
+ >=dev-python/matplotlib-3.4.2[${PYTHON_USEDEP}]
+ >=dev-python/numpy-1.21.0[${PYTHON_USEDEP}]
+ dev-python/setuptools_scm[${PYTHON_USEDEP}]
+ >=dev-python/scipy-1.7.0[${PYTHON_USEDEP}]
+ >=dev-python/tomlkit-0.7.2[${PYTHON_USEDEP}]
+ >=dev-python/tqdm-4.61.1[${PYTHON_USEDEP}]
+ ')
+"
+DEPEND="${RDEPEND}"
+
+distutils_enable_tests pytest
+
+S="${WORKDIR}/ChemEx-${PV/_p/-dev}"
+
+src_prepare() {
+ export SETUPTOOLS_SCM_PRETEND_VERSION="${PV}"
+ distutils-r1_src_prepare
+}