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
+}
