1 files changed, 54 insertions, 0 deletions
diff --git a/sci-chemistry/dssp/dssp-4.4.1.ebuild b/sci-chemistry/dssp/dssp-4.4.1.ebuild
new file mode 100644
index 000000000000..d79883c4e211
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.4.1.ebuild
@@ -0,0 +1,54 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+inherit cmake
+
+DESCRIPTION="The protein secondary structure standard"
+HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/PDB-REDO/dssp"
+SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> ${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+# doc disabled as it only generates a PDF from the manpage for now
+# https://github.com/PDB-REDO/dssp/issues/64
+#IUSE="doc"
+
+CDEPEND="
+	dev-libs/boost:=[zlib]
+	>=dev-libs/libmcfp-1.2.2
+	>=sci-libs/libcifpp-5.1.0
+"
+BDEPEND="${CDEPEND}"
+#	doc? (
+#		|| ( app-text/pandoc-bin[pandoc-symlink] app-text/pandoc )
+#		dev-python/weasyprint
+#	)
+DEPEND=""
+RDEPEND="${CDEPEND}"
+
+#src_prepare() {
+#	# wkhtmltopdf is not available on Gentoo
+#	sed -i -e \
+#		's/-t html/-t html --pdf-engine=weasyprint/' \
+#		CMakeLists.txt
+#	cmake_src_prepare
+#}
+
+src_configure() {
+	local mycmakeargs=(
+		#-DGENERATE_DOCUMENTATION=$(usex doc)
+		-DGENERATE_DOCUMENTATION=NO
+	)
+	cmake_src_configure
+}
+
+pkg_postinst() {
+	if has_version "<=sci-chemistry/gromacs-2022"; then
+		ewarn "DSSP > 3.0.x is not compatible with gmx do_dssp:"
+		ewarn "https://gitlab.com/gromacs/gromacs/-/issues/4129"
+		ewarn
+		ewarn "Feel free to mask newer versions if needed."
+	fi
+}