Gentoo Packages

dev-python/pysisyphus - 1.0.0 (pypi)

Search

Package Information

Description:
Python suite for exploring potential energy surfaces.
Homepage:
https://github.com/eljost/pysisyphus
License:
GNU General Public License v3 GPLv3

Ebuild Details

Version EAPI Keywords Slot
1.0.0 8 ~amd64 ~x86 0
View Raw Ebuild 
# automatically generated by g-sorcery
# please do not edit this file

EAPI=8

REALNAME="${PN}"
LITERALNAME="${PN}"
REALVERSION="${PV}"
DIGEST_SOURCES="yes"
PYTHON_COMPAT=( python{3_11,3_12,3_13,3_14} )
DISTUTILS_USE_PEP517=standalone

inherit python-r1 gs-pypi

DESCRIPTION="Python suite for exploring potential energy surfaces."

HOMEPAGE="https://github.com/eljost/pysisyphus"
LICENSE="GNU General Public License v3 GPLv3"
SRC_URI="https://files.pythonhosted.org/packages/source/${REALNAME::1}/${REALNAME}/${REALNAME}-${REALVERSION}.tar.gz"
SOURCEFILE="${REALNAME}-${REALVERSION}.tar.gz"
RESTRICT="test"

SLOT="0"
KEYWORDS="~amd64 ~x86"

IUSE="doc full test"
DEPENDENCIES="dev-python/autograd[${PYTHON_USEDEP}]
	dev-python/dask[${PYTHON_USEDEP}]
	dev-python/distributed[${PYTHON_USEDEP}]
	dev-python/h5py[${PYTHON_USEDEP}]
	dev-python/fabric[${PYTHON_USEDEP}]
	dev-python/jax[${PYTHON_USEDEP}]
	dev-python/jinja2[${PYTHON_USEDEP}]
	dev-python/matplotlib[${PYTHON_USEDEP}]
	dev-python/natsort[${PYTHON_USEDEP}]
	dev-python/numba[${PYTHON_USEDEP}]
	dev-python/numpy[${PYTHON_USEDEP}]
	dev-python/networkx[${PYTHON_USEDEP}]
	dev-python/optuna[${PYTHON_USEDEP}]
	dev-python/pandas[${PYTHON_USEDEP}]
	dev-python/psutil[${PYTHON_USEDEP}]
	dev-python/pyyaml[${PYTHON_USEDEP}]
	dev-python/rmsd[${PYTHON_USEDEP}]
	dev-python/scipy[${PYTHON_USEDEP}]
	dev-python/sympy[${PYTHON_USEDEP}]
	dev-python/scikit-learn[${PYTHON_USEDEP}]
	test? ( dev-python/pyscf[${PYTHON_USEDEP}] )
	test? ( dev-python/pytest[${PYTHON_USEDEP}] )
	test? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	test? ( dev-python/ase[${PYTHON_USEDEP}] )
	test? ( dev-python/qcengine[${PYTHON_USEDEP}] )
	full? ( dev-python/pyscf[${PYTHON_USEDEP}] )
	full? ( dev-python/pytest[${PYTHON_USEDEP}] )
	full? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	full? ( dev-python/ase[${PYTHON_USEDEP}] )
	full? ( dev-python/qcengine[${PYTHON_USEDEP}] )
	full? ( dev-python/ursina[${PYTHON_USEDEP}] )
	full? ( dev-python/trexio[${PYTHON_USEDEP}] )
	doc? ( <=dev-python/sphinx-8.2.0[${PYTHON_USEDEP}] )
	doc? ( dev-python/sphinx-rtd-theme[${PYTHON_USEDEP}] )
	doc? ( dev-python/sphinx-autodoc-typehints[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"

USE Flags

doc
full
test

Dependencies

RDEPEND

dev-python/autograd[${PYTHON_USEDEP}]
	dev-python/dask[${PYTHON_USEDEP}]
	dev-python/distributed[${PYTHON_USEDEP}]
	dev-python/h5py[${PYTHON_USEDEP}]
	dev-python/fabric[${PYTHON_USEDEP}]
	dev-python/jax[${PYTHON_USEDEP}]
	dev-python/jinja2[${PYTHON_USEDEP}]
	dev-python/matplotlib[${PYTHON_USEDEP}]
	dev-python/natsort[${PYTHON_USEDEP}]
	dev-python/numba[${PYTHON_USEDEP}]
	dev-python/numpy[${PYTHON_USEDEP}]
	dev-python/networkx[${PYTHON_USEDEP}]
	dev-python/optuna[${PYTHON_USEDEP}]
	dev-python/pandas[${PYTHON_USEDEP}]
	dev-python/psutil[${PYTHON_USEDEP}]
	dev-python/pyyaml[${PYTHON_USEDEP}]
	dev-python/rmsd[${PYTHON_USEDEP}]
	dev-python/scipy[${PYTHON_USEDEP}]
	dev-python/sympy[${PYTHON_USEDEP}]
	dev-python/scikit-learn[${PYTHON_USEDEP}]
	test? ( dev-python/pyscf[${PYTHON_USEDEP}] )
	test? ( dev-python/pytest[${PYTHON_USEDEP}] )
	test? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	test? ( dev-python/ase[${PYTHON_USEDEP}] )
	test? ( dev-python/qcengine[${PYTHON_USEDEP}] )
	full? ( dev-python/pyscf[${PYTHON_USEDEP}] )
	full? ( dev-python/pytest[${PYTHON_USEDEP}] )
	full? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	full? ( dev-python/ase[${PYTHON_USEDEP}] )
	full? ( dev-python/qcengine[${PYTHON_USEDEP}] )
	full? ( dev-python/ursina[${PYTHON_USEDEP}] )
	full? ( dev-python/trexio[${PYTHON_USEDEP}] )
	doc? ( <=dev-python/sphinx-8.2.0[${PYTHON_USEDEP}] )
	doc? ( dev-python/sphinx-rtd-theme[${PYTHON_USEDEP}] )
	doc? ( dev-python/sphinx-autodoc-typehints[${PYTHON_USEDEP}] )

BDEPEND

dev-python/autograd[${PYTHON_USEDEP}]
	dev-python/dask[${PYTHON_USEDEP}]
	dev-python/distributed[${PYTHON_USEDEP}]
	dev-python/h5py[${PYTHON_USEDEP}]
	dev-python/fabric[${PYTHON_USEDEP}]
	dev-python/jax[${PYTHON_USEDEP}]
	dev-python/jinja2[${PYTHON_USEDEP}]
	dev-python/matplotlib[${PYTHON_USEDEP}]
	dev-python/natsort[${PYTHON_USEDEP}]
	dev-python/numba[${PYTHON_USEDEP}]
	dev-python/numpy[${PYTHON_USEDEP}]
	dev-python/networkx[${PYTHON_USEDEP}]
	dev-python/optuna[${PYTHON_USEDEP}]
	dev-python/pandas[${PYTHON_USEDEP}]
	dev-python/psutil[${PYTHON_USEDEP}]
	dev-python/pyyaml[${PYTHON_USEDEP}]
	dev-python/rmsd[${PYTHON_USEDEP}]
	dev-python/scipy[${PYTHON_USEDEP}]
	dev-python/sympy[${PYTHON_USEDEP}]
	dev-python/scikit-learn[${PYTHON_USEDEP}]
	test? ( dev-python/pyscf[${PYTHON_USEDEP}] )
	test? ( dev-python/pytest[${PYTHON_USEDEP}] )
	test? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	test? ( dev-python/ase[${PYTHON_USEDEP}] )
	test? ( dev-python/qcengine[${PYTHON_USEDEP}] )
	full? ( dev-python/pyscf[${PYTHON_USEDEP}] )
	full? ( dev-python/pytest[${PYTHON_USEDEP}] )
	full? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	full? ( dev-python/ase[${PYTHON_USEDEP}] )
	full? ( dev-python/qcengine[${PYTHON_USEDEP}] )
	full? ( dev-python/ursina[${PYTHON_USEDEP}] )
	full? ( dev-python/trexio[${PYTHON_USEDEP}] )
	doc? ( <=dev-python/sphinx-8.2.0[${PYTHON_USEDEP}] )
	doc? ( dev-python/sphinx-rtd-theme[${PYTHON_USEDEP}] )
	doc? ( dev-python/sphinx-autodoc-typehints[${PYTHON_USEDEP}] )

Manifest for 1.0.0

Type File Size Source URLs
DIST pysisyphus-1.0.0.tar.gz 25960538 bytes https://files.pythonhosted.org/packages/source/${REALNAME::1}/pysisyphus/pysisyphus-1.0.0.tar.gz