6 files changed, 61 insertions, 50 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 3c3c21996501..215a184b2b1b 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index 42a4132178b3..cd8cdc7ff43a 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -2,11 +2,11 @@ AUX 30-dssp 18 BLAKE2B 3d2b6cfc787c1bec902fca9be8b45bf821f87eb1a0603eab0b537f4ee
 AUX dssp-2.1.0-gentoo.patch 1513 BLAKE2B aabdcfff1083d7552392c35897eb8a84b07323c89dfdce014f4401b2e82e727e9fbc77dd3f7e6d5efda61a6e64fad905873516e5336f21627bda1f2f39caf5c2 SHA512 7d192019811a6892031c74e14ef9fc7461e77c050a164698f8c72cff08f81a0e6da202e0915b631a5cd6d910a6114a736c706d47b1fd6474ff77c3700efcd9f9
 AUX dssp-2.2.1-boost-1.65-tr1-removal.patch 2126 BLAKE2B dc59d21a6be26ee96b636c13645163478999d5122f09d3a72963843be773210ea225e374941bd057ef6f083a13fb77980bd4390174df2a0c715f0386da7232e0 SHA512 8f84c6e163888d6a8192683a6555f7d6003634854f5cde0f6f962744e531165c7e0b2b08c55cbfb9c396d167c44317dd2e7a8290e4defd2c8def0a6511fbbd6c
 DIST dssp-2.2.1.tgz 47141 BLAKE2B 34d8b2db8797a8c23763766c0214337f03584c4be52c1bc820a0df0db6a5f78ac0229aafdd47a60b8fd6f4832abf0399663c53f9e898c75f08ecbe22b141c8da SHA512 4a273714d6b3230daea166caa7f4117d5ccb225bea0cf1bc2eb61539b6cc8e227d0ba19047d61f0ad0d1d6bc2efdec9c193bd44341e15ef0950acb4a22498811
-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
-EBUILD dssp-2.2.1-r3.ebuild 870 BLAKE2B 9b7542d9ec45b60f5671830e5068e1d1cbcca4b82cf22cc0e2d9804c221f9977cfade439cc6e41a67375b438faca3ffa64fdec23db2b417b58615513fd60ad44 SHA512 964bfd70d98a80e6afd7f28fc6bf7359bbde105e77903211cec04c5adcdce273f1d7142a6d206d644300a1185cba1352bf584499d864809dadad69b2023e50d0
-EBUILD dssp-3.0.11.ebuild 875 BLAKE2B 6344416239b93804755b1829dcfcb9e8e461606c217938945bb2fc75e9680f2849b39bdbf0ed361592e703fea493a2dacabca498b26e696c969735a585e5d183 SHA512 353f4f5d7b1b195753c738ecc9fb17b429cdeada757806f5cf9a3da65c6318e3885d2c92fa904d5b3a546756eb87ec90787d158e8a9450b4730dd97b45af970d
+DIST dssp-4.5.0.tar.gz 163776 BLAKE2B aed788363920b800d552cb098490b47ceb38021a8dc2d3fcb3fe3d546d54dd3fd0499ecbf01af6719cfc03752f31205d2be8f249ae52176a4613791856a4cffd SHA512 161c529b31273970a7dd45c587e443db8bbee2565ea5d8e647c768402b3eded885537d8a728cd638df3fb4d6cf3775073ef1193fe3e0bfa66f77ac9b79ae0f4f
+EBUILD dssp-2.2.1-r3.ebuild 862 BLAKE2B 825bad0ef23e99eb4633330f2f4b02a37847ef1d89aa5a98100da38294247934b4b1794af7b4766c86b0c0e18a336f2551a9367b375904558789dca3aa177223 SHA512 a15b5b4f3b798d604e66be4d2853e819114bcbd47be3fa8b8dbd920668fb90ddf96634c8db7e1794d9a5c80c180529bf86903c4b918d2bd37f68333cd0fc84d0
 EBUILD dssp-4.4.10.ebuild 1328 BLAKE2B 4e01021b9817c33434a3316aae5f44311735b243a0bea273b5b983629a3668f6a23ff7dfb5cf38b6128b925cac8236ba9d1df68fb5ad0692906b2e9ea2e2015d SHA512 c90c5543a7bea86cb8bc8534608518b8dc262767505d77e0de57c79c8d7d973152cba9985c85ac23c0deda1b1e5b92535274d94d98e79a73c4d2cbfb70edabab
-EBUILD dssp-4.4.11.ebuild 1329 BLAKE2B 30ef1ede543b582a6c4aa944e6f36d06dd88735ca591c048015e4ecec4807d76f732048e11a1063c3cc1e505f42e8e63b37109f7af8ca11eefdeae12df60292e SHA512 0cffd7588932cee398948a1efd5145d24aa9c610b5330514f27a577560ede697f70ad8f3343d3de2c402c33d92c100b10d6cc31bae6a55044121667ba84982a0
+EBUILD dssp-4.4.11.ebuild 1328 BLAKE2B 8fe99a73ad900dc3389b87b1281b5ca05173d3878bc58164229ce25d5440068a2f112074b2f6c04ec56df6336475d67ae4912d72e3d1cebeac164d104039b4bf SHA512 6028409738728606fd238b292be4e80c992eb1ead385f6a5c8df32cedffb7fe926a869864ed01762db6082fb24bec40e089062f548721052e897937c3e3aa52b
+EBUILD dssp-4.5.0.ebuild 1329 BLAKE2B 590ae97dcc67a3dbcbe5d88a532cda8d35db4079661a1699d9a87f9fe6ed4a4f0e83f066e5e61abaa5ab8bba65388e0f58b44197449982241258d5950825acd4 SHA512 2ba4b7e76213f43ddfd899b7fb270e0232f2a045436c22183c3e269960f852dec62e1ecb5692bee38bf6cd8eab07584754882cefa5734384ea1024a83e2874dd
 MISC metadata.xml 295 BLAKE2B 4355bbe00822cc702acdf70031ab9cd1f2a8f6e076d71016c1783f2a6c052c2da0a1a4a1860062562bb837161787f2481fa6f49c4319c546482a263ebe149bb0 SHA512 ace35ca21c614a7c0cbdea2496be3190a907295053566707c1875836a306cc9e9c96816cca6ce2b514935f6fcd494d2e813f4d94ba88552cd7b86831f30501f4
diff --git a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
index fbd34792ebbc..d2652592ff6e 100644
--- a/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
+++ b/sci-chemistry/dssp/dssp-2.2.1-r3.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2023 Gentoo Authors
+# Copyright 1999-2025 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=8
@@ -12,7 +12,6 @@ SRC_URI="ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/${P}.tgz"
 LICENSE="Boost-1.0"
 SLOT="0"
 KEYWORDS="amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE=""
 
 RDEPEND="dev-libs/boost:=[bzip2,zlib]"
 DEPEND="${RDEPEND}"
diff --git a/sci-chemistry/dssp/dssp-3.0.11.ebuild b/sci-chemistry/dssp/dssp-3.0.11.ebuild
deleted file mode 100644
index 9500dc1e3024..000000000000
--- a/sci-chemistry/dssp/dssp-3.0.11.ebuild
+++ /dev/null
@@ -1,43 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-inherit autotools
-
-MY_PN="hssp"
-MY_P="${MY_PN}-${PV}"
-
-DESCRIPTION="The protein secondary structure standard"
-HOMEPAGE="https://swift.cmbi.umcn.nl/gv/dssp/ https://github.com/cmbi/hssp"
-SRC_URI="https://github.com/cmbi/${MY_PN}/archive/refs/tags/${PV}.tar.gz -> ${P}.tar.gz"
-
-LICENSE="Boost-1.0"
-SLOT="0"
-KEYWORDS="amd64 ~arm ~arm64 ~x86 ~amd64-linux ~x86-linux"
-# It's just cppcheck (at least in 3.0.11)
-RESTRICT="test"
-
-RDEPEND="
-	dev-lang/perl:=
-	dev-libs/boost:=[bzip2,zlib]
-"
-DEPEND="${RDEPEND}"
-
-S="${WORKDIR}/${MY_P}"
-
-src_prepare() {
-	default
-
-	# Fix version
-	sed -i -e "s/3.0.10/${PV}/" configure.ac || die
-
-	sed -i -e '/-Werror/d' Makefile.am || die
-
-	eautoreconf
-}
-
-src_install() {
-	default
-	dosym mkdssp /usr/bin/dssp
-	doenvd "${FILESDIR}"/30-${PN}
-}
diff --git a/sci-chemistry/dssp/dssp-4.4.11.ebuild b/sci-chemistry/dssp/dssp-4.4.11.ebuild
index 3310702d334e..d97080fa576d 100644
--- a/sci-chemistry/dssp/dssp-4.4.11.ebuild
+++ b/sci-chemistry/dssp/dssp-4.4.11.ebuild
@@ -10,7 +10,7 @@ SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> ${
 
 LICENSE="BSD-2"
 SLOT="0"
-KEYWORDS="~amd64 ~x86"
+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"
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
+}