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# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
PYTHON_COMPAT=( python2_7 )
PYTHON_REQ_USE="tk"
inherit distutils-r1 eutils fdo-mime flag-o-matic versionator
DESCRIPTION="A Python-extensible molecular graphics system"
HOMEPAGE="https://www.pymol.org/"
SRC_URI="
https://dev.gentoo.org/~jlec/distfiles/${P}.png.xz
mirror://sourceforge/project/${PN}/${PN}/$(get_version_component_range 1-2)/${PN}-v${PV}.tar.bz2
"
# git archive -v --prefix=${P}/ master -o ${P}.tar.xz
RESTRICT="mirror"
LICENSE="PSF-2.2"
SLOT="0"
KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos"
IUSE="web"
DEPEND="
|| (
dev-python/numpy-python2[${PYTHON_USEDEP}]
dev-python/numpy[${PYTHON_USEDEP}]
)
dev-python/pmw:py2[${PYTHON_USEDEP}]
dev-python/pyopengl[${PYTHON_USEDEP}]
media-libs/freeglut
media-libs/freetype:2
media-libs/glew:0=
media-libs/libpng:0=
media-video/mpeg-tools
sys-libs/zlib
!sci-chemistry/pymol-apbs-plugin[${PYTHON_USEDEP}]
web? ( !dev-python/webpy[${PYTHON_USEDEP}] )"
RDEPEND="${DEPEND}"
S="${WORKDIR}"/${PN}
python_prepare_all() {
sed \
-e "s:\"/usr:\"${EPREFIX}/usr:g" \
-e "/ext_comp_args.*+=/s:\[.*\]$:\[\]:g" \
-e "/import/s:argparse:argparseX:g" \
-i setup.py || die
sed \
-e "s:/opt/local:${EPREFIX}/usr:g" \
-e '/ext_comp_args/s:\[.*\]:[]:g' \
-i setup.py || die
append-cxxflags -std=c++0x
distutils-r1_python_prepare_all
}
python_install() {
distutils-r1_python_install --pymol-path="${EPREFIX}/usr/share/pymol"
sed \
-e '1d' \
-e "/APBS_BINARY_LOCATION/s:None:\"${EPREFIX}/usr/bin/apbs\":g" \
-e "/APBS_PSIZE_LOCATION/s:None:\"$(python_get_sitedir)/pdb2pqr/src/\":g" \
-e "/APBS_PDB2PQR_LOCATION/s:None:\"$(python_get_sitedir)/pdb2pqr/\":g" \
-i "${D}/$(python_get_sitedir)"/pmg_tk/startup/apbs_tools.py || die
}
python_install_all() {
distutils-r1_python_install_all
sed \
-e '1i#!/usr/bin/env python' \
"${D}/$(python_get_sitedir)"/pymol/__init__.py > "${T}"/${PN} || die
python_foreach_impl python_doscript "${T}"/${PN}
# These environment variables should not go in the wrapper script, or else
# it will be impossible to use the PyMOL libraries from Python.
cat >> "${T}"/20pymol <<- EOF
PYMOL_PATH="${EPREFIX}/usr/share/pymol"
PYMOL_DATA="${EPREFIX}/usr/share/pymol/data"
PYMOL_SCRIPTS="${EPREFIX}/usr/share/pymol/scripts"
EOF
doenvd "${T}"/20pymol
newicon "${WORKDIR}"/${P}.png ${PN}.png
make_desktop_entry ${PN} PyMol ${PN} \
"Graphics;Education;Science;Chemistry;" \
"MimeType=chemical/x-pdb;chemical/x-mdl-molfile;chemical/x-mol2;chemical/seq-aa-fasta;chemical/seq-na-fasta;chemical/x-xyz;chemical/x-mdl-sdf;"
if ! use web; then
rm -rf "${D}/$(python_get_sitedir)/web" || die
fi
rm -f "${ED}"/usr/share/${PN}/LICENSE || die
}
pkg_postinst() {
fdo-mime_desktop_database_update
fdo-mime_mime_database_update
optfeature "Electrostatic calculations" sci-chemistry/apbs sci-chemistry/pdb2pqr
}
pkg_postrm() {
fdo-mime_desktop_database_update
fdo-mime_mime_database_update
}
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