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sci-libs/avogadrolibs: drop 1.95.1-r1
Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
This commit is contained in:
Andreas Sturmlechner
@@ -1,6 +1,4 @@
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DIST avogadrolibs-1.95.1.tar.gz 11015910 BLAKE2B 27cb43a22e489c0279e1ed912b1e81f3c850983f367ffb89bef3a63d11204cbf761f2bce6501988ed5ef9b21b44cc5194dad4367da3ae6af65efd0cec5e7d711 SHA512 b4734c732b1686eba74055c4834fef2f9fb66d4a67cd1199c84e81965c3f6e783911e7c7c8d09386c4ff9f1322bab91fe490d3606784ae49acf5531a65a58beb
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DIST avogadrolibs-1.97.0.tar.gz 11456702 BLAKE2B 2f9229a0525dc151ef636c4c101ea21d3713efb033f6a007c43689bfd078b07081d695bb3ec32715c3ccf9d67e7bb85a617a08eeb0e6fc8c80e479a3cb3f1553 SHA512 a0ad3ba294db5f0fff35087ff0f616fdcaefc7b4abfa470c9fd26326ad14f73e3584c18a7111b671998d8a23a50091307520f01f79295fc7ea52ae2d78716c7e
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DIST avogadrolibs-crystals-1.0.1.tar.gz 151829 BLAKE2B 0a1353392a4c087977452f50ffb7db0b2976a2993651b6f7e0df7a9ce6fa8f7960223cac2916dd9f667d37518b85606d73d05e86f7489193a6a609700fc60223 SHA512 c5d6500d8472807b8d2e62888e4a09279c6aeafec81bc4981edaa74e36724b1e7f0381250c79ad297f9f0331bcb5cd8a45fce3f13ad65b9870e901a6424c0650
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DIST avogadrolibs-molecules-1.0.0.tar.gz 206924 BLAKE2B 70eea3d5eb440ab2c7f29c56111f2b8cf780cc84983aa145bc4f2fe144c981978218333ba3c33cf1f620dd3180cca706dfa4e94ffaee6167f89bd3e372172218 SHA512 06891ea7ad3e65c5b0c0ad73ea01916478fcd13fd9ff0d6905d28159678a50371ba9fa2c1f68ef32604dee0c2165de29bd5d50ffbc345bfe752ef0bcb13126f2
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DIST linux64-genXrdPattern-avogadrolibs-1.95.1 7480152 BLAKE2B dca8285c41aadfaa20c72f337e0f02db8ee07ce30c11ae84bf3aa7bd0b2220273d33f484d63f761d41a8946c6a0b77a0fb27906c480bcae01ae49b1531ae5cbb SHA512 538bde12e1e52600a21640d5907f43fcc853c6f3c111880f39eb238093e3d1358ccdfa1f45e944ec8b8e5ee3c2dff269cefe5334db5d73300e6ca327c95520b8
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DIST linux64-genXrdPattern-avogadrolibs-1.97.0 7480152 BLAKE2B dca8285c41aadfaa20c72f337e0f02db8ee07ce30c11ae84bf3aa7bd0b2220273d33f484d63f761d41a8946c6a0b77a0fb27906c480bcae01ae49b1531ae5cbb SHA512 538bde12e1e52600a21640d5907f43fcc853c6f3c111880f39eb238093e3d1358ccdfa1f45e944ec8b8e5ee3c2dff269cefe5334db5d73300e6ca327c95520b8
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@@ -1,94 +0,0 @@
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# Copyright 1999-2024 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=8
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inherit cmake
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DESCRIPTION="Advanced molecule editor and visualizer 2 - libraries"
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HOMEPAGE="https://www.openchemistry.org/ https://github.com/OpenChemistry/avogadrolibs"
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SRC_URI="
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https://github.com/OpenChemistry/${PN}/archive/${PV}.tar.gz -> ${P}.tar.gz
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https://github.com/OpenChemistry/molecules/archive/refs/tags/1.0.0.tar.gz -> ${PN}-molecules-1.0.0.tar.gz
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https://github.com/OpenChemistry/crystals/archive/refs/tags/1.0.1.tar.gz -> ${PN}-crystals-1.0.1.tar.gz
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vtk? ( https://github.com/psavery/genXrdPattern/releases/download/1.0-static/linux64-genXrdPattern -> linux64-genXrdPattern-${P} )"
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LICENSE="BSD GPL-2+"
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SLOT="0"
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KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
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IUSE="archive doc hdf5 qt5 test vtk"
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RESTRICT="!test? ( test )"
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REQUIRED_USE="vtk? ( qt5 )"
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# TODO: Not yet packaged:
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# sci-libs/libmsym (https://github.com/mcodev31/libmsym)
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RDEPEND="
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>=sci-chemistry/molequeue-0.7
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archive? ( app-arch/libarchive:= )
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hdf5? ( sci-libs/hdf5:= )
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qt5? (
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dev-qt/qtconcurrent:5
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dev-qt/qtcore:5
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dev-qt/qtgui:5
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dev-qt/qtnetwork:5
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dev-qt/qtsvg:5
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dev-qt/qtwidgets:5
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media-libs/glew:0=
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virtual/opengl
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)
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vtk? ( sci-libs/vtk[qt5,views] )"
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DEPEND="${RDEPEND}
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dev-cpp/eigen:3
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test? ( dev-cpp/gtest )"
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BDEPEND="
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doc? ( app-text/doxygen )
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qt5? ( dev-qt/linguist-tools:5 )"
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PATCHES=(
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"${FILESDIR}/"${PN}-1.91.0_pre20180406-bundled-genxrdpattern.patch
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"${FILESDIR}/"${PN}-1.95.1-tests.patch
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"${FILESDIR}/"${PN}-1.95.1-usability_backport.patch
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)
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src_unpack() {
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default
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if use vtk; then
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cp "${DISTDIR}"/linux64-genXrdPattern-${P} "${WORKDIR}/genXrdPattern" || die
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fi
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# hardcoded assumptions in
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# avogadro/qtplugins/insertfragment/CMakeLists.txt
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mv crystals-1.0.1 crystals || die
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mv molecules-1.0.0 molecules || die
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}
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src_configure() {
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local mycmakeargs=(
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-DUSE_LIBARCHIVE=$(usex archive)
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-DBUILD_DOCUMENTATION=$(usex doc)
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-DUSE_HDF5=$(usex hdf5)
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-DENABLE_TRANSLATIONS=$(usex qt5)
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-DUSE_OPENGL=$(usex qt5)
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-DUSE_QT=$(usex qt5)
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-DENABLE_TESTING=$(usex test)
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-DUSE_VTK=$(usex vtk)
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# disabled libraries
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-DUSE_PYTHON=OFF
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-DUSE_PROTOCALL=OFF
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-DUSE_MMTF=OFF
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-DUSE_LIBMSYM=OFF
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# find_package(Spglib) completely broken
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-DUSE_SPGLIB=OFF
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)
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use qt5 && mycmakeargs+=(
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-DBUILD_GPL_PLUGINS=ON
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-DBUILD_STATIC_PLUGINS=ON
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-DOpenGL_GL_PREFERENCE=GLVND
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)
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use vtk && mycmakeargs+=(
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-DBUNDLED_GENXRDPATTERN="${WORKDIR}/genXrdPattern"
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)
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cmake_src_configure
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}
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@@ -1,81 +0,0 @@
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From 56c67fff7dd7ec84b2f2b5c2e5beaec13981e408 Mon Sep 17 00:00:00 2001
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From: Aritz Erkiaga <aerkiaga3@gmail.com>
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Date: Sat, 3 Sep 2022 16:54:55 +0200
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Subject: [PATCH 1/3] Fix erratic editing behavior
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Signed-off-by: Aritz Erkiaga <aerkiaga3@gmail.com>
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---
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avogadro/qtgui/rwmolecule_undo.h | 2 +-
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1 file changed, 1 insertion(+), 1 deletion(-)
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diff --git a/avogadro/qtgui/rwmolecule_undo.h b/avogadro/qtgui/rwmolecule_undo.h
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index de5bdd33..20768066 100644
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--- a/avogadro/qtgui/rwmolecule_undo.h
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+++ b/avogadro/qtgui/rwmolecule_undo.h
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@@ -89,7 +89,7 @@ public:
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{
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assert(m_molecule.atomCount() == m_atomId);
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if (m_usingPositions)
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- m_molecule.addAtom(m_atomicNumber, Vector3::Zero(), m_atomId);
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+ m_molecule.addAtom(m_atomicNumber, Vector3::Zero(), m_atomUid);
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else
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m_molecule.addAtom(m_atomicNumber, m_atomUid);
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m_molecule.layer().addAtom(m_layer, m_atomId);
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--
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2.34.1
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From 5159ea1a9629ad82130670767cc25c5065f9627c Mon Sep 17 00:00:00 2001
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From: Aritz Erkiaga <aerkiaga3@gmail.com>
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Date: Sat, 3 Sep 2022 16:55:26 +0200
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Subject: [PATCH 2/3] Fix Manipulator Tool not working at all
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Signed-off-by: Aritz Erkiaga <aerkiaga3@gmail.com>
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---
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avogadro/qtplugins/manipulator/manipulator.cpp | 2 +-
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1 file changed, 1 insertion(+), 1 deletion(-)
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diff --git a/avogadro/qtplugins/manipulator/manipulator.cpp b/avogadro/qtplugins/manipulator/manipulator.cpp
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index 19dc51ac..29559dd0 100644
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--- a/avogadro/qtplugins/manipulator/manipulator.cpp
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+++ b/avogadro/qtplugins/manipulator/manipulator.cpp
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@@ -129,7 +129,7 @@ QUndoCommand* Manipulator::mouseMoveEvent(QMouseEvent* e)
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Vector2f windowPos(e->localPos().x(), e->localPos().y());
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if (mol->isSelectionEmpty() && m_object.type == Rendering::AtomType &&
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- m_object.molecule == mol) {
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+ m_object.molecule == &m_molecule->molecule()) {
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// translate single atom position
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RWAtom atom = m_molecule->atom(m_object.index);
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Vector3f oldPos(atom.position3d().cast<float>());
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--
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2.34.1
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From f38bfbc88f0722a66ab298ff26073874b5f73634 Mon Sep 17 00:00:00 2001
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From: Aritz Erkiaga <aerkiaga3@gmail.com>
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Date: Sat, 3 Sep 2022 16:55:59 +0200
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Subject: [PATCH 3/3] Fix Bond Centric Tool not working at all
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Signed-off-by: Aritz Erkiaga <aerkiaga3@gmail.com>
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---
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avogadro/qtplugins/bondcentrictool/bondcentrictool.cpp | 3 +--
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1 file changed, 1 insertion(+), 2 deletions(-)
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diff --git a/avogadro/qtplugins/bondcentrictool/bondcentrictool.cpp b/avogadro/qtplugins/bondcentrictool/bondcentrictool.cpp
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index 79112899..3a853057 100644
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--- a/avogadro/qtplugins/bondcentrictool/bondcentrictool.cpp
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+++ b/avogadro/qtplugins/bondcentrictool/bondcentrictool.cpp
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@@ -342,8 +342,7 @@ QUndoCommand* BondCentricTool::mousePressEvent(QMouseEvent* e)
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Rendering::Identifier ident = m_renderer->hit(e->pos().x(), e->pos().y());
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// If no hits, return. Also ensure that the hit molecule is the one we expect.
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- const Core::Molecule* mol = &m_molecule->molecule();
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- if (!ident.isValid() || ident.molecule != mol)
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+ if (!ident.isValid() || ident.molecule != &m_molecule->molecule())
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return nullptr;
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// If the hit is a left click on a bond, make it the selected bond and map
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--
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2.34.1
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