[gentoo-commits] proj/sci:master commit in: sci-chemistry/pyquante/

[Horea Christian]

commit:     b13ff5a8b53cb094cbe70b1639d8d4987aff3936
Author:     Andrew Ammerlaan <andrewammerlaan <AT> riseup <DOT> net>
AuthorDate: Sat Jan  2 14:01:27 2021 +0000
Commit:     Horea Christian <horea.christ <AT> gmail <DOT> com>
CommitDate: Sun Jan  3 06:43:28 2021 +0000
URL:        https://gitweb.gentoo.org/proj/sci.git/commit/?id=b13ff5a8

sci-chemistry/pyquante: version bump, enable sphinx, bump py targets

Package-Manager: Portage-3.0.12, Repoman-3.0.2
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> riseup.net>
Signed-off-by: Horea Christian <chr <AT> chymera.eu>

 sci-chemistry/pyquante/pyquante-1.6.3-r1.ebuild    | 22 -------------
 sci-chemistry/pyquante/pyquante-1.6.4.ebuild       | 22 -------------
 .../pyquante/pyquante-2.1_p20190721.ebuild         | 37 ++++++++++++++++++++++
 3 files changed, 37 insertions(+), 44 deletions(-)

diff --git a/sci-chemistry/pyquante/pyquante-1.6.3-r1.ebuild b/sci-chemistry/pyquante/pyquante-1.6.3-r1.ebuild
deleted file mode 100644
index bf9928ef7..000000000
--- a/sci-chemistry/pyquante/pyquante-1.6.3-r1.ebuild
+++ /dev/null
@@ -1,22 +0,0 @@
-# Copyright 1999-2014 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit distutils-r1
-
-MY_PN="PyQuante"
-MY_P="${MY_PN}-${PV}"
-
-DESCRIPTION="Quantum chemistry package written in Python"
-HOMEPAGE="http://pyquante.sourceforge.net/"
-SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tar.gz"
-
-SLOT="0"
-LICENSE="GPL-2"
-KEYWORDS="~amd64 ~x86"
-IUSE=""
-
-S="${WORKDIR}/${MY_P}"

diff --git a/sci-chemistry/pyquante/pyquante-1.6.4.ebuild b/sci-chemistry/pyquante/pyquante-1.6.4.ebuild
deleted file mode 100644
index bf9928ef7..000000000
--- a/sci-chemistry/pyquante/pyquante-1.6.4.ebuild
+++ /dev/null
@@ -1,22 +0,0 @@
-# Copyright 1999-2014 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit distutils-r1
-
-MY_PN="PyQuante"
-MY_P="${MY_PN}-${PV}"
-
-DESCRIPTION="Quantum chemistry package written in Python"
-HOMEPAGE="http://pyquante.sourceforge.net/"
-SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tar.gz"
-
-SLOT="0"
-LICENSE="GPL-2"
-KEYWORDS="~amd64 ~x86"
-IUSE=""
-
-S="${WORKDIR}/${MY_P}"

diff --git a/sci-chemistry/pyquante/pyquante-2.1_p20190721.ebuild b/sci-chemistry/pyquante/pyquante-2.1_p20190721.ebuild
new file mode 100644
index 000000000..1eee1d60a
--- /dev/null
+++ b/sci-chemistry/pyquante/pyquante-2.1_p20190721.ebuild
@@ -0,0 +1,37 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+PYTHON_COMPAT=( python3_{7,8} ) # compile failure with py3.9
+
+inherit distutils-r1
+
+COMMIT="6e34cb4480ae7dbd8c5e44d221d8b27584890c83"
+
+DESCRIPTION="Quantum chemistry package written in Python"
+HOMEPAGE="https://github.com/rpmuller/pyquante2"
+SRC_URI="https://github.com/rpmuller/pyquante2/archive/${COMMIT}.tar.gz -> ${P}.tar.gz"
+
+SLOT="0"
+LICENSE="BSD"
+KEYWORDS="~amd64 ~x86"
+
+# Fails to find self, even with --install
+RESTRICT="test"
+
+BDEPEND="dev-python/cython[${PYTHON_USEDEP}]"
+
+RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]"
+
+S="${WORKDIR}/${PN}2-${COMMIT}"
+
+distutils_enable_sphinx docs --no-autodoc
+distutils_enable_tests --install pytest
+
+python_prepare_all() {
+	# this has been renamed in newer versions of sphinx
+	sed -i -e 's/sphinx.ext.pngmath/sphinx.ext.imgmath/g' docs/conf.py || die
+
+	distutils-r1_python_prepare_all
+}