[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/

["Pacho Ramos" <pacho@gentoo.org>]

commit:     f7cf5ad7607bed6d60bbf6276cce3c1b87a75f2b
Author:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Sun Apr 13 16:25:03 2025 +0000
Commit:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Sun Apr 13 16:43:48 2025 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f7cf5ad7

sci-chemistry/dssp: add 4.5.0

Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org>

 sci-chemistry/dssp/Manifest          |  1 +
 sci-chemistry/dssp/dssp-4.5.0.ebuild | 55 ++++++++++++++++++++++++++++++++++++
 2 files changed, 56 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 5483a463dfec..9394a2ddba66 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -2,3 +2,4 @@ DIST dssp-2.2.1.tgz 47141 BLAKE2B 34d8b2db8797a8c23763766c0214337f03584c4be52c1b
 DIST dssp-3.0.11.tar.gz 168085 BLAKE2B e1c42fd22cfb2287f10b5deae48b56a4583d4a67737a3485dcbd160d1597a15c2d5105c3794c875d8001abede1c014efb4f7f5b7c250f867bdf9ed95a0860217 SHA512 a0cfe44e517ff1f909ef2928b62ae2c639c6bddfd8a0fb538883f647fd2771e00da68e0fd2521aa02ba3c6d1b0c9b784b7fe142392af3a3abf6ea89f1546bd9d
 DIST dssp-4.4.10.tar.gz 164259 BLAKE2B 5d82ce25779060f89b50742683102aea53984fca10e54aa3cd0b21c7be3684336f6561928282e40300bb164c5b881797fababa5175c139f5b304a952f21db661 SHA512 1bdbdd4b058801d78cc28dcb23478656dfb322ce81f4fe8ede2cd72640778084ce8c99aff367aff53c26ad221ffa6ebafcf9730005b1a873957d26eb42f724c8
 DIST dssp-4.4.11.tar.gz 163930 BLAKE2B 00da516faeac6f49a6b2b82d69c6e92a53531e2a0cf98718e7fa78f848b060b9f2d68f255e958842ff748119f7f3de2a06e5d6fffd4c1787485a81562185ffb7 SHA512 3abe6d6f5578714358c551bc4d4426c5359f68329058deb50fe4f643e4b380e7fa41de7aeb9d016211d69b72c7d892c17d5268b34b65c1566ff33ae978ee6f9b
+DIST dssp-4.5.0.tar.gz 163776 BLAKE2B aed788363920b800d552cb098490b47ceb38021a8dc2d3fcb3fe3d546d54dd3fd0499ecbf01af6719cfc03752f31205d2be8f249ae52176a4613791856a4cffd SHA512 161c529b31273970a7dd45c587e443db8bbee2565ea5d8e647c768402b3eded885537d8a728cd638df3fb4d6cf3775073ef1193fe3e0bfa66f77ac9b79ae0f4f

diff --git a/sci-chemistry/dssp/dssp-4.5.0.ebuild b/sci-chemistry/dssp/dssp-4.5.0.ebuild
new file mode 100644
index 000000000000..bc803349962a
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.5.0.ebuild
@@ -0,0 +1,55 @@
+# Copyright 1999-2025 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 -> ${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+# doc disabled as it only generates a PDF from the manpage for now
+# https://github.com/PDB-REDO/dssp/issues/64
+#IUSE="doc"
+
+CDEPEND="
+	dev-libs/boost:=[zlib]
+	>=dev-libs/libmcfp-1.3.5
+	>=sci-libs/libcifpp-8.0.0
+"
+BDEPEND="${CDEPEND}
+	dev-cpp/catch:0
+"
+#	doc? (
+#		|| ( app-text/pandoc-bin[pandoc-symlink] app-text/pandoc )
+#		dev-python/weasyprint
+#	)
+RDEPEND="${CDEPEND}"
+
+#src_prepare() {
+#	# wkhtmltopdf is not available on Gentoo
+#	sed -i -e \
+#		's/-t html/-t html --pdf-engine=weasyprint/' \
+#		CMakeLists.txt
+#	cmake_src_prepare
+#}
+
+src_configure() {
+	local mycmakeargs=(
+		#-DBUILD_DOCUMENTATION=$(usex doc)
+		-DBUILD_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
+}