[gentoo-commits] repo/gentoo:master commit in: sci-libs/avogadrolibs/files/, sci-libs/avogadrolibs/

[David Seifert]

commit:     68245b30229ce2756c08706b5b075fd0422a40d8
Author:     David Seifert <soap <AT> gentoo <DOT> org>
AuthorDate: Tue Mar  1 12:12:24 2022 +0000
Commit:     David Seifert <soap <AT> gentoo <DOT> org>
CommitDate: Tue Mar  1 12:12:24 2022 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=68245b30

sci-libs/avogadrolibs: add 1.95.1

Bug: https://bugs.gentoo.org/765811
Bug: https://bugs.gentoo.org/834116
Signed-off-by: David Seifert <soap <AT> gentoo.org>

 sci-libs/avogadrolibs/Manifest                     |  4 +
 sci-libs/avogadrolibs/avogadrolibs-1.95.1.ebuild   | 89 ++++++++++++++++++++++
 .../files/avogadrolibs-1.95.1-tests.patch          | 13 ++++
 3 files changed, 106 insertions(+)

diff --git a/sci-libs/avogadrolibs/Manifest b/sci-libs/avogadrolibs/Manifest
index 9de9f0dac5a1..638cbecca2f4 100644
--- a/sci-libs/avogadrolibs/Manifest
+++ b/sci-libs/avogadrolibs/Manifest
@@ -1,2 +1,6 @@
 DIST avogadrolibs-1.93.0.tar.gz 2735862 BLAKE2B b5d696f23aeeab27358ee390a30b2cf146e7119185a0d2e8d71b34d2744e534cd8b50b36d12928b5aa723118db470272b6428514593d64770d172c4bde730cf6 SHA512 1af220e5614cbd96656679c2879cb7f7c46acd135b4e6f2e5f8d0ba98601ce004e78f019a0a71c643f005451309bd194eb73eb9f66707685e5855b47e95f7eae
+DIST avogadrolibs-1.95.1.tar.gz 11015910 BLAKE2B 27cb43a22e489c0279e1ed912b1e81f3c850983f367ffb89bef3a63d11204cbf761f2bce6501988ed5ef9b21b44cc5194dad4367da3ae6af65efd0cec5e7d711 SHA512 b4734c732b1686eba74055c4834fef2f9fb66d4a67cd1199c84e81965c3f6e783911e7c7c8d09386c4ff9f1322bab91fe490d3606784ae49acf5531a65a58beb
+DIST avogadrolibs-crystals-1.0.1.tar.gz 151829 BLAKE2B 0a1353392a4c087977452f50ffb7db0b2976a2993651b6f7e0df7a9ce6fa8f7960223cac2916dd9f667d37518b85606d73d05e86f7489193a6a609700fc60223 SHA512 c5d6500d8472807b8d2e62888e4a09279c6aeafec81bc4981edaa74e36724b1e7f0381250c79ad297f9f0331bcb5cd8a45fce3f13ad65b9870e901a6424c0650
+DIST avogadrolibs-molecules-1.0.0.tar.gz 206924 BLAKE2B 70eea3d5eb440ab2c7f29c56111f2b8cf780cc84983aa145bc4f2fe144c981978218333ba3c33cf1f620dd3180cca706dfa4e94ffaee6167f89bd3e372172218 SHA512 06891ea7ad3e65c5b0c0ad73ea01916478fcd13fd9ff0d6905d28159678a50371ba9fa2c1f68ef32604dee0c2165de29bd5d50ffbc345bfe752ef0bcb13126f2
 DIST linux64-genXrdPattern-avogadrolibs-1.93.0 7480152 BLAKE2B dca8285c41aadfaa20c72f337e0f02db8ee07ce30c11ae84bf3aa7bd0b2220273d33f484d63f761d41a8946c6a0b77a0fb27906c480bcae01ae49b1531ae5cbb SHA512 538bde12e1e52600a21640d5907f43fcc853c6f3c111880f39eb238093e3d1358ccdfa1f45e944ec8b8e5ee3c2dff269cefe5334db5d73300e6ca327c95520b8
+DIST linux64-genXrdPattern-avogadrolibs-1.95.1 7480152 BLAKE2B dca8285c41aadfaa20c72f337e0f02db8ee07ce30c11ae84bf3aa7bd0b2220273d33f484d63f761d41a8946c6a0b77a0fb27906c480bcae01ae49b1531ae5cbb SHA512 538bde12e1e52600a21640d5907f43fcc853c6f3c111880f39eb238093e3d1358ccdfa1f45e944ec8b8e5ee3c2dff269cefe5334db5d73300e6ca327c95520b8

diff --git a/sci-libs/avogadrolibs/avogadrolibs-1.95.1.ebuild b/sci-libs/avogadrolibs/avogadrolibs-1.95.1.ebuild
new file mode 100644
index 000000000000..f396fb04e2d9
--- /dev/null
+++ b/sci-libs/avogadrolibs/avogadrolibs-1.95.1.ebuild
@@ -0,0 +1,89 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+inherit cmake
+
+DESCRIPTION="Advanced molecule editor and visualizer 2 - libraries"
+HOMEPAGE="https://www.openchemistry.org/ https://github.com/OpenChemistry/avogadrolibs"
+SRC_URI="
+	https://github.com/OpenChemistry/${PN}/archive/${PV}.tar.gz -> ${P}.tar.gz
+	https://github.com/OpenChemistry/molecules/archive/refs/tags/1.0.0.tar.gz -> ${PN}-molecules-1.0.0.tar.gz
+	https://github.com/OpenChemistry/crystals/archive/refs/tags/1.0.1.tar.gz -> ${PN}-crystals-1.0.1.tar.gz
+	vtk? ( https://github.com/psavery/genXrdPattern/releases/download/1.0-static/linux64-genXrdPattern -> linux64-genXrdPattern-${P} )"
+
+LICENSE="BSD GPL-2+"
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="archive doc hdf5 qt5 static-plugins test vtk"
+RESTRICT="!test? ( test )"
+REQUIRED_USE="vtk? ( qt5 )"
+
+# TODO: Not yet packaged:
+# sci-libs/libmsym (https://github.com/mcodev31/libmsym)
+RDEPEND="
+	>=sci-chemistry/molequeue-0.7
+	archive? ( app-arch/libarchive:= )
+	hdf5? ( sci-libs/hdf5:= )
+	qt5? (
+		dev-qt/qtconcurrent:5
+		dev-qt/qtcore:5
+		dev-qt/qtgui:5
+		dev-qt/qtnetwork:5
+		dev-qt/qtsvg:5
+		dev-qt/qtwidgets:5
+		media-libs/glew:0=
+		virtual/opengl
+	)
+	vtk? ( sci-libs/vtk[qt5,views] )"
+DEPEND="${RDEPEND}
+	dev-cpp/eigen:3
+	test? ( dev-cpp/gtest )"
+BDEPEND="qt5? ( dev-qt/linguist-tools:5 )"
+
+PATCHES=(
+	"${FILESDIR}/"${PN}-1.91.0_pre20180406-bundled-genxrdpattern.patch
+	"${FILESDIR}/"${PN}-1.95.1-tests.patch
+)
+
+src_unpack() {
+	default
+
+	if use vtk; then
+		cp "${DISTDIR}"/linux64-genXrdPattern-${P} "${WORKDIR}/genXrdPattern" || die
+	fi
+
+	# hardcoded assumptions in
+	# avogadro/qtplugins/insertfragment/CMakeLists.txt
+	mv crystals-1.0.1 crystals || die
+	mv molecules-1.0.0 molecules || die
+}
+
+src_configure() {
+	local mycmakeargs=(
+		-DBUILD_GPL_PLUGINS=ON
+		-DBUILD_STATIC_PLUGINS=$(usex static-plugins)
+		-DUSE_LIBARCHIVE=$(usex archive)
+		-DBUILD_DOCUMENTATION=$(usex doc)
+		-DUSE_HDF5=$(usex hdf5)
+		-DENABLE_TRANSLATIONS=$(usex qt5)
+		-DUSE_OPENGL=$(usex qt5)
+		-DOpenGL_GL_PREFERENCE=GLVND
+		-DUSE_QT=$(usex qt5)
+		-DENABLE_TESTING=$(usex test)
+		-DUSE_VTK=$(usex vtk)
+		# disabled libraries
+		-DUSE_PYTHON=OFF
+		-DUSE_PROTOCALL=OFF
+		-DUSE_MMTF=OFF
+		-DUSE_LIBMSYM=OFF
+		# find_package(Spglib) completely broken
+		-DUSE_SPGLIB=OFF
+	)
+	use vtk && mycmakeargs+=(
+		-DBUNDLED_GENXRDPATTERN="${WORKDIR}/genXrdPattern"
+	)
+
+	cmake_src_configure
+}

diff --git a/sci-libs/avogadrolibs/files/avogadrolibs-1.95.1-tests.patch b/sci-libs/avogadrolibs/files/avogadrolibs-1.95.1-tests.patch
new file mode 100644
index 000000000000..5feea804632e
--- /dev/null
+++ b/sci-libs/avogadrolibs/files/avogadrolibs-1.95.1-tests.patch
@@ -0,0 +1,13 @@
+exclude test that unconditionally requires sci-libs/spglib
+* https://bugs.gentoo.org/765811
+
+--- a/tests/core/CMakeLists.txt
++++ b/tests/core/CMakeLists.txt
+@@ -15,7 +15,6 @@
+   Molecule
+   Mutex
+   RingPerceiver
+-  Spacegroup
+   Utilities
+   UnitCell
+   Variant