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authorPacho Ramos <pacho@gentoo.org>2024-10-17 13:16:18 +0200
committerPacho Ramos <pacho@gentoo.org>2024-10-17 13:55:53 +0200
commit17189240101cb7918db49afdacc3d3e3a0e0172f (patch)
treefc43eddbe610af751d9b4aaeb4d740a188b0a379 /sci-chemistry
parentsci-libs/libcifpp: add 7.0.7 (diff)
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sci-chemistry/dssp: add 4.4.10
Signed-off-by: Pacho Ramos <pacho@gentoo.org>
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/dssp/Manifest1
-rw-r--r--sci-chemistry/dssp/dssp-4.4.10.ebuild55
2 files changed, 56 insertions, 0 deletions
diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index e9651283e61c..f6a7abf02265 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,4 +1,5 @@
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-4.4.7.tar.gz 163831 BLAKE2B 195c8fb183df00105098967850b01c0d6acf776f7cfa409fc536c8291e7a467da2adfb5f34d8191e33dbb29bfd254cd414c1b7b76ed3f3b854928c4dc8a5fcdd SHA512 2fe2d8a494b570934c0d28804fe69b6569089ded58ec92bf3d83b25ce60a3b9486490909e187b511328f13498ca9027869e922d95a355cf0e21c2564c2db1b5a
DIST dssp-4.4.8.tar.gz 164050 BLAKE2B 0f048b5425f3ecb0e9278da81e2274e817b5ba5ed33a372d0e4c0b0d0600f9ebee2b125f7411dcc4af5d56e2f86cf0d7f10608467b24dd886ca559f7c4b60e6a SHA512 a21c79e56662d926e8476ffc7ccd84dec182a7bbd98c08b3df61ed88c99ee82e1522b69156cdea0abf96d93bc69a0a491b04662a9312d2681785116074151a61
diff --git a/sci-chemistry/dssp/dssp-4.4.10.ebuild b/sci-chemistry/dssp/dssp-4.4.10.ebuild
new file mode 100644
index 000000000000..d5e51fe40fec
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.4.10.ebuild
@@ -0,0 +1,55 @@
+# Copyright 1999-2024 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 -> ${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+# doc disabled as it only generates a PDF from the manpage for now
+# https://github.com/PDB-REDO/dssp/issues/64
+#IUSE="doc"
+
+CDEPEND="
+ dev-libs/boost:=[zlib]
+ >=dev-libs/libmcfp-1.2.2
+ >=sci-libs/libcifpp-7.0.3
+"
+BDEPEND="${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
+}