diff options
author | V3n3RiX <venerix@redcorelinux.org> | 2020-04-12 03:41:30 +0100 |
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committer | V3n3RiX <venerix@redcorelinux.org> | 2020-04-12 03:41:30 +0100 |
commit | 623ee73d661e5ed8475cb264511f683407d87365 (patch) | |
tree | 993eb27c93ec7a2d2d19550300d888fc1fed9e69 /sci-chemistry/pymol | |
parent | ceeeb463cc1eef97fd62eaee8bf2196ba04bc384 (diff) |
gentoo Easter resync : 12.04.2020
Diffstat (limited to 'sci-chemistry/pymol')
-rw-r--r-- | sci-chemistry/pymol/Manifest | 3 | ||||
-rw-r--r-- | sci-chemistry/pymol/pymol-2.3.0-r2.ebuild | 1 | ||||
-rw-r--r-- | sci-chemistry/pymol/pymol-2.3.0-r3.ebuild | 113 |
3 files changed, 115 insertions, 2 deletions
diff --git a/sci-chemistry/pymol/Manifest b/sci-chemistry/pymol/Manifest index 2b6e1d1125bd..1f4e55620fe5 100644 --- a/sci-chemistry/pymol/Manifest +++ b/sci-chemistry/pymol/Manifest @@ -1,4 +1,5 @@ DIST pymol-1.8.4.0.png.xz 19528 BLAKE2B f3d23d4cedca3d8bb96b20646a548da4be570697e3346a11b01c5c3599b536ba4697be08472dfa8a4f6533167defc1a37a1de332931a73857319cb28fd42cd2b SHA512 40bb0d3f226476f6e047b5361956aad955232a97641474765eaa5204f0539aee3810e0266213618a45364f9f31f6eb18380b17e0c79f64065f7b62a9016caa7c DIST pymol-2.3.0.tar.gz 10448674 BLAKE2B 0d508587d880ce7f2e8a0481bf664e6bfe6eb1d68b0f48b9266cde756824bd8c0144d7243e958bbc5e571d60fca9dafff125d81a8a3d32107e78ad2ff8dffc05 SHA512 e1dcea1c97bcd9045d3543e92902f240e6affbf61a38e8d2a0be04309e3dbabfe1a869847d1423b3151008978d4c305bbf3ce994fc9d453c0063ce020100c133 -EBUILD pymol-2.3.0-r2.ebuild 3225 BLAKE2B bd378cf0a461ce741ee375bc9e4a2db7153a060125292905e4e050244de22c9ac4df2d32e3c8c049c04cdf256a6240beba9955878419fd574ce2b7965200924b SHA512 6c4ead16743147b4e983e2e626f19e489cd4676ea8610db33104e987e52759d6edd0f355675f723053eb234399b8cf7d7f8235ae479ad38ac48fe980e6cfa292 +EBUILD pymol-2.3.0-r2.ebuild 3189 BLAKE2B b696daab150edc9c5b69e330f68d0a79bb825d39d69e6b149a90be7f12a3956525b91373f330e528178b2732b84b86f6e9ae1624c8cad48eb1580e81b4bde38a SHA512 4c4c4e94c768325728584e6c424e7c7d87e4daab291c0f6bad2c6f527645056d0b9b4fefc822543542f27431f51a1f1a6cda1ab7fb9136d0f44a11c6129060be +EBUILD pymol-2.3.0-r3.ebuild 3003 BLAKE2B 8e629b5cd104f6fcf1ba885c59f41e4f9ccd564af9d2a6cd273eb5e1faf5af84b2d550dd7157e2f856788f8d96a7cc212aa8a84cfd4320a8500ac28f93b305f2 SHA512 c41a31a5123bdadeb8da8f6fb6ac0cbbc81ef3ecf49ecbbf3c8b4884c01f1bf1c04f63c0872aadca85adb831d8510ec0d7a41f18c0da923524c2380ec2d4d1e6 MISC metadata.xml 439 BLAKE2B 68df7dfc8ca3d4d4b18b419532bade69491f2e9362f10ae2397c804132b7fc9cd08dcf9703c0a89c44588c570e0c0c1bb9bffb7394d51faf1283142dbc5f70b3 SHA512 f5a3eded9b12fa715ba2e6e10b41c75d9bd823ca0dd40acbffc3f5bfc4b36c687f720b1a4e119b4540a31faf849985778cbd72b0b2cd35af8c52ca0f808d71e4 diff --git a/sci-chemistry/pymol/pymol-2.3.0-r2.ebuild b/sci-chemistry/pymol/pymol-2.3.0-r2.ebuild index 36cc913f7b09..5eadc9a8512d 100644 --- a/sci-chemistry/pymol/pymol-2.3.0-r2.ebuild +++ b/sci-chemistry/pymol/pymol-2.3.0-r2.ebuild @@ -29,7 +29,6 @@ DEPEND=" dev-python/pmw:py2[${PYTHON_USEDEP}] dev-python/pyopengl[${PYTHON_USEDEP}] dev-python/PyQt5[opengl,${PYTHON_USEDEP}] - dev-python/numpy[${PYTHON_USEDEP}] media-libs/freetype:2 media-libs/glew:0= media-libs/glm diff --git a/sci-chemistry/pymol/pymol-2.3.0-r3.ebuild b/sci-chemistry/pymol/pymol-2.3.0-r3.ebuild new file mode 100644 index 000000000000..675c8b368801 --- /dev/null +++ b/sci-chemistry/pymol/pymol-2.3.0-r3.ebuild @@ -0,0 +1,113 @@ +# Copyright 1999-2020 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=7 + +PYTHON_COMPAT=( python3_{6,7} ) + +inherit distutils-r1 desktop eutils flag-o-matic xdg-utils + +DESCRIPTION="A Python-extensible molecular graphics system" +HOMEPAGE="https://www.pymol.org/" +SRC_URI=" + https://dev.gentoo.org/~jlec/distfiles/${PN}-1.8.4.0.png.xz + https://github.com/schrodinger/pymol-open-source/archive/v${PV}.tar.gz -> ${P}.tar.gz + " +RESTRICT="mirror" +LICENSE="PSF-2.2" +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos" +IUSE="web" + +DEPEND=" + dev-libs/msgpack[cxx] + dev-libs/mmtf-cpp + dev-python/pyopengl[${PYTHON_USEDEP}] + dev-python/PyQt5[opengl,${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + media-libs/freetype:2 + media-libs/glew:0= + media-libs/glm + media-libs/libpng:0= + media-video/mpeg-tools + sys-libs/zlib +" +RDEPEND="${DEPEND} + sci-chemistry/chemical-mime-data +" + +S="${WORKDIR}"/${PN}-open-source-${PV} + +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 + sed \ + -e "s:\['msgpackc'\]:\['msgpack'\]: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}"/${PN}-1.8.4.0.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() { + xdg_desktop_database_update + xdg_mimeinfo_database_update + optfeature "Electrostatic calculations" sci-chemistry/apbs sci-chemistry/pdb2pqr +} + +pkg_postrm() { + xdg_desktop_database_update + xdg_mimeinfo_database_update +} |