mirror of
https://github.com/gentoo-mirror/gentoo.git
synced 2026-09-23 16:49:10 -07:00
sci-libs/avogadrolibs: add 1.101.0
remove mmtf support, deprecated and w/ failing tests Signed-off-by: Nicolas PARLANT <nicolas.parlant@parhuet.fr> Part-of: https://github.com/gentoo/gentoo/pull/43908 Closes: https://github.com/gentoo/gentoo/pull/43908 Signed-off-by: Sam James <sam@gentoo.org>
This commit is contained in:
Nicolas PARLANT
committed by
Sam James
Sam James
parent
781b32deb0
commit
3210c9aca5
@@ -1,7 +1,13 @@
|
||||
DIST avogadrolibs-1.100.0-data.tar.gz 17378761 BLAKE2B 6900869f5056b02648a95bcacb98f35689f6b90f57f920c2678a0b8f7c043d4adc37b5c83de671ba7554b040a898bcaaa6cb36f29df84ce5221ee9f706ee93ff SHA512 71616ab1c197919fe1337654e698c0a52d86266bf64ca9453b89913c957b473c74e58a8a9483682dbaba56d296a2f56154bd94e5fdf9e4795b7457371215b0c3
|
||||
DIST avogadrolibs-1.100.0.tar.gz 4979722 BLAKE2B 1a47d9636ff5c978e2fbe84f782b8bd9b24fd23b44de93bd2b9f7790d3e077a92e2ac62a3823466ffd0e8ec664514d18c47ef5d0ff874d83b4c7571e046960d2 SHA512 8f0e9a6659a3190b12667da948468b83952e5017929ab802e4153682ed8b1a8ac97e874c20773c45e6e5c67fb3d2fd0ae55e99e49a8d03305b5a66e87ccbd2fd
|
||||
DIST avogadrolibs-1.101.0-data.tar.gz 18043657 BLAKE2B 469d1b675c1ca39577f50db33f5641c940b077166a15fcd34c7f70c428c1b6585ab12099f24406501c8a1d312a36e7fdd6dcc663eadbfe1659b20d2ba6e3aba4 SHA512 9930a4925abcdfd28756f614ebe4e3f00d72933d9452e2041c3991a5a0b9d240261e49de9c6a814e17cc1aa6ceac1cd3bee89cffda86c0dd84a7fb8751e70340
|
||||
DIST avogadrolibs-1.101.0.tar.gz 4714237 BLAKE2B fddb27e8d59f4bd8664c35f1a29c769487ea5d8a75671a6720aadf926e8f8d9c439dd3d68b3aefc8e57df8451d872238fca116b2a33a30ddaa7921f797e9e8ad SHA512 a084736345f781eb2a770333440594f0fddda73a520f436a570648766a5c6f5a9c59fcd7671ba3c700129b6bf110c81a677a6461dbf10cb4f2816ba4c013d250
|
||||
DIST avogadrolibs-avogenerators-1.101.0.tar.gz 16185 BLAKE2B 4d562133d5ff7e4a10192712a7623002a72c7633d82fc2c87a8803afc27dca8ac36da06d8b1e384053bc74d14effb89557a0f5333552f480a383979b9667bd72 SHA512 2a2b5686c1494b66e82a02a38c07971e38a10403b87c7e3107de6d196ba9a43440602b6df04ff6dc2bfb5d1e872eb5dd394a00c6c56ccb22323bc9b82b6e6667
|
||||
DIST avogadrolibs-avogenerators-1.98.0.tar.gz 15676 BLAKE2B 647050636cd93e2055dacbd5c8c1c7b98b1c61ac891b836ec990d75be80ff62c452f54d7225550b9fd5e4126c1b9cf3d806121d759aabca571bfff5e6bc69028 SHA512 87f42a538af6418ce33813b8e263ca349dca455142f476413b93ba9b0c5762b7e66f8fc1cd2535a5e284b6df3e7acc226fd7c223d1d20318fca9fa69536c6f4e
|
||||
DIST avogadrolibs-crystals-1.101.0.tar.gz 21674415 BLAKE2B 57b0693d86bec0e7f429d336822c0e2d84b0f911e572b0e8628b15e811fe82e1d578b850ea1a9ed6986a4ca671f83029b37d5da7573aea5c4ce5feb0b8cf74ab SHA512 327fbfa1d3239f62d585fafee25f8236929b0fac439c1232b2fb1cd08722de97937b50978ac7144ef1755a37e09eea79ac26ab7e0a8576e2fbdb6095c0030375
|
||||
DIST avogadrolibs-crystals-1.98.0.tar.gz 55935019 BLAKE2B 1750369af8a259bdccb3b0babf4e46ecc7f780f12ff8d00fcc230c7d3689bdc690bd9856ece49afca1b0f4b717360462577e618a54351c80c983a1d90de58065 SHA512 3ed07b598841c8dbc1536bd8f2a992abe73e1dc13bb9c14a4db0b60be7ba085c834d982ceb22ade3a5f0f4d05a7681567bd0c926995e78ebb9d56e2923bd4706
|
||||
DIST avogadrolibs-fragments-1.101.0.tar.gz 1616263 BLAKE2B 8d68917fb5bd99933c39384f87c2d07ab815347e76668b25a344e69797bed1184688cd5f7c09d4293b10fcfc2e835642df4c726380973bfac6c29f57c2dab5ff SHA512 d76e75910c806a6bc9bc1149ee31cc64e4c23ee464cd3fd2c46377d4d233ac2fd231db238c50f40628252ca5ccc9167c264d09ed2d1d7ff5c1064b50b19a138b
|
||||
DIST avogadrolibs-fragments-1.99.0.tar.gz 2553232 BLAKE2B 3d2b25bbf73e0c239634726005fb737a88199882059a8f0f57638749e06593d6156df382957126d8bc010ab75b1de872de64e559d56921a51d442d915c9cd389 SHA512 fa1341a482f184960a0167c601e3bd8faac2f4e312c7a603146c63ad563cb3b943e37c0d3fe785eb134c0bf4dd3dda6e21b8276e760237f5b6b2e883af5a268a
|
||||
DIST avogadrolibs-linux64-genXrdPattern-1.1 14315976 BLAKE2B bed67aa2bb015843c20af8b89e1276a3e509cbebb32b36bb4002cb8fcfa557acfeefff37ccae2b7d67ca80e09f654c924c6d6227d1d0e1fcfa43438aef81de08 SHA512 e98395e1dd831779af7a613e9c6460a4f048e0a7973d6156e8ebd0bebe2d32b4c19df9875e91185b73ddc6f0d3637d35e955b3bd393c0893986555763b61492a
|
||||
DIST avogadrolibs-molecules-1.101.0.tar.gz 9979718 BLAKE2B ed026b16e3e3fc9d330e96afb915442113ac7cb3b620f4c5ca5b1330a4ced1ad3430e960f683b8d9ae71332e383f0a22077aa0bae8aeca0a101361a18ffa6e30 SHA512 9b9fe03631822bb7df19259acaebc5fdb8e7050e646bd08bfbb48e1335c73dda14e1386a82e85f379df8c8498d9e77ef75bad97e809df954d3b3b45135929523
|
||||
DIST avogadrolibs-molecules-1.98.0.tar.gz 9953630 BLAKE2B eabc9604a68efb5db912c45ec19b731e51d5405e50dad597289f07ce1faeca9c2c296b9005ecfe21c2695ca9d536d79ec42e7e58aa6fb67f753187abc6f96649 SHA512 297bf73b290c099267ff011c68f40c636094a9ca632be7bc6d71db99d55eb16bfa9b1eee7504ada8a15534690aa80840e7d731880346fcd8b68e08b00b1e2bf6
|
||||
|
||||
187
sci-libs/avogadrolibs/avogadrolibs-1.101.0.ebuild
Normal file
187
sci-libs/avogadrolibs/avogadrolibs-1.101.0.ebuild
Normal file
@@ -0,0 +1,187 @@
|
||||
# Copyright 1999-2025 Gentoo Authors
|
||||
# Distributed under the terms of the GNU General Public License v2
|
||||
|
||||
EAPI=8
|
||||
|
||||
inherit cmake dot-a flag-o-matic
|
||||
|
||||
MY_PV_GENXRD=1.1
|
||||
MY_PV_AVOGEN=${PV}
|
||||
MY_PV_CRYSTALS=${PV}
|
||||
MY_PV_FRAGMENTS=${PV}
|
||||
MY_PV_MOLECULES=${PV}
|
||||
|
||||
DESCRIPTION="Advanced molecule editor and visualizer 2 - libraries"
|
||||
HOMEPAGE="https://two.avogadro.cc/ https://www.openchemistry.org/"
|
||||
SRC_URI="
|
||||
https://github.com/OpenChemistry/${PN}/archive/${PV}.tar.gz
|
||||
-> ${P}.tar.gz
|
||||
qt6? (
|
||||
https://github.com/OpenChemistry/avogenerators/archive/refs/tags/${MY_PV_AVOGEN}.tar.gz
|
||||
-> ${PN}-avogenerators-${MY_PV_AVOGEN}.tar.gz
|
||||
https://github.com/OpenChemistry/crystals/archive/refs/tags/${MY_PV_CRYSTALS}.tar.gz
|
||||
-> ${PN}-crystals-${MY_PV_CRYSTALS}.tar.gz
|
||||
https://github.com/OpenChemistry/fragments/archive/refs/tags/${MY_PV_FRAGMENTS}.tar.gz
|
||||
-> ${PN}-fragments-${MY_PV_FRAGMENTS}.tar.gz
|
||||
https://github.com/OpenChemistry/molecules/archive/refs/tags/${MY_PV_MOLECULES}.tar.gz
|
||||
-> ${PN}-molecules-${MY_PV_MOLECULES}.tar.gz
|
||||
)
|
||||
test? ( https://github.com/OpenChemistry/avogadrodata/archive/refs/tags/${PV}.tar.gz
|
||||
-> ${P}-data.tar.gz )
|
||||
vtk? ( https://github.com/psavery/genXrdPattern/releases/download/${MY_PV_GENXRD}-linux/linux64-genXrdPattern
|
||||
-> ${PN}-linux64-genXrdPattern-${MY_PV_GENXRD} )
|
||||
"
|
||||
|
||||
LICENSE="BSD GPL-2+"
|
||||
SLOT="0"
|
||||
KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
|
||||
IUSE="archive doc hdf5 qt6 spglib static-libs test vtk"
|
||||
RESTRICT="!test? ( test )"
|
||||
REQUIRED_USE="
|
||||
test? ( qt6 )
|
||||
vtk? ( qt6 )
|
||||
"
|
||||
|
||||
# TODO: Not yet packaged:
|
||||
# sci-libs/libmsym (https://github.com/mcodev31/libmsym)
|
||||
RDEPEND="
|
||||
dev-cpp/nlohmann_json
|
||||
dev-libs/pugixml
|
||||
hdf5? ( sci-libs/hdf5:= )
|
||||
qt6? (
|
||||
>=sci-chemistry/openbabel-3.1.1_p20241221:=[json]
|
||||
dev-qt/qtbase:6[concurrent,gui,network,opengl,widgets]
|
||||
dev-qt/qtsvg:6
|
||||
media-libs/glew:0=
|
||||
virtual/opengl
|
||||
archive? ( app-arch/libarchive:= )
|
||||
)
|
||||
spglib? ( >=sci-libs/spglib-2.6.0:= )
|
||||
vtk? ( sci-libs/vtk:=[qt6,views] )
|
||||
"
|
||||
DEPEND="${RDEPEND}
|
||||
dev-cpp/eigen:3
|
||||
vtk? ( dev-libs/pegtl )
|
||||
"
|
||||
BDEPEND="
|
||||
doc? ( app-text/doxygen )
|
||||
test? ( dev-cpp/gtest )
|
||||
"
|
||||
|
||||
PATCHES=(
|
||||
"${FILESDIR}/"${PN}-1.91.0_pre20180406-bundled-genxrdpattern.patch
|
||||
)
|
||||
|
||||
# Static binary (requires ObjCryst++ to build otherwise)
|
||||
QA_FLAGS_IGNORED="usr/bin/genXrdPattern"
|
||||
|
||||
src_unpack() {
|
||||
default
|
||||
|
||||
rm -rf thirdparty/{nlohmann,pugixml} || die
|
||||
|
||||
if use vtk; then
|
||||
cp "${DISTDIR}"/${PN}-linux64-genXrdPattern-${MY_PV_GENXRD} "${WORKDIR}/genXrdPattern" || die
|
||||
fi
|
||||
|
||||
if use qt6; then
|
||||
# hardcoded assumptions in
|
||||
# avogadro/qtplugins/insertfragment/CMakeLists.txt
|
||||
mv crystals-${MY_PV_CRYSTALS} crystals || die
|
||||
mv molecules-${MY_PV_MOLECULES} molecules || die
|
||||
# avogadro/qtplugins/quantuminput/CMakeLists.txt
|
||||
mv avogenerators-${MY_PV_AVOGEN} avogadrogenerators || die
|
||||
# avogadro/qtplugins/templatetool/CMakeLists.txt
|
||||
mv fragments-${MY_PV_FRAGMENTS} fragments || die
|
||||
fi
|
||||
|
||||
if use test; then
|
||||
mv avogadrodata-${PV} avogadrodata || die
|
||||
fi
|
||||
}
|
||||
|
||||
src_prepare() {
|
||||
# fix default value for BABEL_LIBDIR
|
||||
sed -i -e "s:/../lib/openbabel:/../$(get_libdir)/openbabel:g" \
|
||||
avogadro/qtplugins/forcefield/obenergy.cpp \
|
||||
avogadro/qtplugins/forcefield/obmmenergy.cpp \
|
||||
avogadro/qtplugins/openbabel/obprocess.cpp || die
|
||||
|
||||
if use doc; then
|
||||
doxygen -u docs/doxyfile.in 2>/dev/null || die
|
||||
fi
|
||||
|
||||
cmake_src_prepare
|
||||
}
|
||||
|
||||
src_configure() {
|
||||
local mycmakeargs=(
|
||||
-DCMAKE_SKIP_RPATH=ON
|
||||
-DUSE_EXTERNAL_NLOHMANN=ON
|
||||
-DUSE_EXTERNAL_PUGIXML=ON
|
||||
-DUSE_LIBARCHIVE=$(usex archive $(usex qt6))
|
||||
-DBUILD_DOCUMENTATION=$(usex doc)
|
||||
-DUSE_HDF5=$(usex hdf5)
|
||||
# https://github.com/OpenChemistry/avogadrolibs/issues/2200
|
||||
-DUSE_MMTF=OFF
|
||||
-DUSE_OPENGL=$(usex qt6)
|
||||
-DUSE_QT=$(usex qt6)
|
||||
-DUSE_SPGLIB=$(usex spglib)
|
||||
-DENABLE_TESTING=$(usex test)
|
||||
-DUSE_VTK=$(usex vtk)
|
||||
# disabled libraries
|
||||
-DUSE_PYTHON=OFF
|
||||
-DUSE_LIBMSYM=OFF
|
||||
)
|
||||
|
||||
if use qt6; then
|
||||
mycmakeargs+=(
|
||||
-DBUILD_GPL_PLUGINS=ON
|
||||
-DBUILD_STATIC_PLUGINS=$(usex static-libs)
|
||||
-DQT_VERSION=6
|
||||
)
|
||||
|
||||
# even w/o static-libs due to libgwavi.a, required for avogadro2
|
||||
lto-guarantee-fat
|
||||
fi
|
||||
|
||||
if use vtk; then
|
||||
mycmakeargs+=(
|
||||
-DBUNDLED_GENXRDPATTERN="${WORKDIR}/genXrdPattern"
|
||||
-DUSE_SYSTEM_GENXRDPATTERN=OFF
|
||||
)
|
||||
|
||||
# -Werror=odr -Werror=lto-type-mismatch
|
||||
# https://github.com/OpenChemistry/avogadrolibs/issues/2060
|
||||
filter-lto
|
||||
fi
|
||||
|
||||
cmake_src_configure
|
||||
}
|
||||
|
||||
src_compile() {
|
||||
cmake_src_compile
|
||||
|
||||
use doc && cmake_build documentation
|
||||
}
|
||||
|
||||
src_test() {
|
||||
local -x LD_LIBRARY_PATH="${BUILD_DIR}/lib"
|
||||
cmake_src_test
|
||||
}
|
||||
|
||||
src_install() {
|
||||
if use doc; then
|
||||
local DOCS+=( "${BUILD_DIR}"/docs/xml )
|
||||
local HTML_DOCS=( "${BUILD_DIR}"/docs/html/. )
|
||||
docompress -x /usr/share/doc/${PF}/xml
|
||||
fi
|
||||
|
||||
cmake_src_install
|
||||
|
||||
# always strip due to libgwavi.a
|
||||
use qt6 && strip-lto-bytecode "${ED}"
|
||||
|
||||
# remove CONTRIBUTING, LICENSE and duplicate README
|
||||
rm -r "${ED}/usr/share/doc/${PF}/avogadrolibs" || die
|
||||
}
|
||||
Reference in New Issue
Block a user