sci-chemistry/autodock_vina: add 1.2.5

Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>

1 files changed, 50 insertions, 0 deletions

diff --git a/sci-chemistry/autodock_vina/autodock_vina-1.2.5.ebuild b/sci-chemistry/autodock_vina/autodock_vina-1.2.5.ebuild
new file mode 100644
index 000000000000..e9edf1f9c991
--- /dev/null
+++ b/sci-chemistry/autodock_vina/autodock_vina-1.2.5.ebuild
@@ -0,0 +1,50 @@
+# Copyright 1999-2024 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit flag-o-matic toolchain-funcs
+
+MY_PN=AutoDock-Vina
+
+DESCRIPTION="Program for drug discovery, molecular docking and virtual screening"
+HOMEPAGE="http://vina.scripps.edu/"
+SRC_URI="https://github.com/ccsb-scripps/AutoDock-Vina/archive/refs/tags/v${PV}.tar.gz -> ${P}.tar.gz"
+
+S="${WORKDIR}/${MY_PN}-${PV}/build/linux/release"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="debug"
+
+RDEPEND="dev-libs/boost:="
+DEPEND="${RDEPEND}"
+
+PATCHES=(
+	"${FILESDIR}"/${P}-gentoo.patch
+)
+
+src_prepare() {
+	cd "${WORKDIR}/${MY_PN}-${PV}" || die
+	pwd
+	sed -e "s:VERSION:\"${PV}\":g" \
+		-i src/main/main.cpp \
+		-i src/split/split.cpp || die
+	default
+}
+
+src_configure() {
+	append-cxxflags -DBOOST_FILESYSTEM_VERSION=3 -DBOOST_TIMER_ENABLE_DEPRECATED -std=c++14
+}
+
+src_compile() {
+	emake \
+		BASE="${EPREFIX}"/usr/ \
+		GPP="$(tc-getCXX)" \
+		C_OPTIONS=$(usex debug '' -DNDEBUG)
+}
+
+src_install() {
+	dobin vina{,_split}
+}