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From: "Pacho Ramos" <pacho@gentoo.org>
To: gentoo-commits@lists.gentoo.org
Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/
Date: Thu,  8 Jun 2023 09:39:06 +0000 (UTC)	[thread overview]
Message-ID: <1686217136.0d1b3a277ae6fe5b8167ab5e628b39ae67a35cfa.pacho@gentoo> (raw)

commit:     0d1b3a277ae6fe5b8167ab5e628b39ae67a35cfa
Author:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Thu Jun  8 08:58:07 2023 +0000
Commit:     Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Thu Jun  8 09:38:56 2023 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=0d1b3a27

sci-chemistry/dssp: add 4.3.1

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

 sci-chemistry/dssp/Manifest          |  1 +
 sci-chemistry/dssp/dssp-4.3.1.ebuild | 39 ++++++++++++++++++++++++++++++++++++
 2 files changed, 40 insertions(+)

diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest
index a0bf5ede05c2..00d6647cdc54 100644
--- a/sci-chemistry/dssp/Manifest
+++ b/sci-chemistry/dssp/Manifest
@@ -1,3 +1,4 @@
 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-4.2.2.1.tar.gz 144413 BLAKE2B 97c587bc0b4ef3d212ae81d568f817aab54f1dd2a77d170746e9b0d3f1bd63873d21fb0a7fc38c0300fc091f21241820d5d009d42a9e3e33dcc608c046185d9f SHA512 6daa41aea766940bf40afaee068daef341a7f79cae79d967b8da00e7002bdb602deaed40e452a5f0cea9aa2041a5c8678dfcae2e0f595cc5a0856392162dcdff
+DIST dssp-4.3.1.tar.gz 226842 BLAKE2B 86318f05b8381d94fa9c65a956f5fb607ef8072b0395d912e20697ba36836c449ddff31a4a64d0005bbfe34899f71853c0f15a911042389fc894934c08fc34c8 SHA512 4dc1a3f5c7ba258ebf548674c7b33c36b0e3a7d14911394eb8d2955c235f3cb1d6c50cb03f411db55a8a9d7aa93e4d03354c47f9f0126b0bdcbf40dc9391d403

diff --git a/sci-chemistry/dssp/dssp-4.3.1.ebuild b/sci-chemistry/dssp/dssp-4.3.1.ebuild
new file mode 100644
index 000000000000..daf7c4f9314d
--- /dev/null
+++ b/sci-chemistry/dssp/dssp-4.3.1.ebuild
@@ -0,0 +1,39 @@
+# 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 -> ${P}.tar.gz"
+
+LICENSE="BSD-2"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE=""
+
+BDEPEND="
+	dev-libs/boost:=[zlib]
+	>=dev-libs/libmcfp-1.2.2
+	>=sci-libs/libcifpp-5.1.0
+"
+DEPEND=""
+RDEPEND="${BDEPEND}"
+
+src_configure() {
+	# gxrio not packaged
+	local mycmakeargs=(
+		-DBUILD_WEBSERVER=OFF
+	)
+	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
+}


             reply	other threads:[~2023-06-08  9:39 UTC|newest]

Thread overview: 38+ messages / expand[flat|nested]  mbox.gz  Atom feed  top
2023-06-08  9:39 Pacho Ramos [this message]
  -- strict thread matches above, loose matches on Subject: below --
2024-06-01 11:08 [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/dssp/ Pacho Ramos
2024-05-18 10:06 Pacho Ramos
2024-05-18 10:06 Pacho Ramos
2024-05-18 10:06 Pacho Ramos
2023-10-26 15:09 Pacho Ramos
2023-07-21  8:01 Pacho Ramos
2023-07-21  8:01 Pacho Ramos
2023-07-20  8:12 Pacho Ramos
2023-07-20  8:12 Pacho Ramos
2023-04-18 15:08 Pacho Ramos
2023-02-26 15:51 Pacho Ramos
2023-02-26 15:51 Pacho Ramos
2023-01-02 14:04 Andreas Sturmlechner
2022-12-05 20:17 Arthur Zamarin
2022-12-04 14:50 Pacho Ramos
2022-12-04 14:50 Pacho Ramos
2022-09-04 13:03 David Seifert
2022-09-04 12:23 David Seifert
2022-07-06  5:18 Arthur Zamarin
2022-06-02  4:03 Sam James
2022-03-17 13:36 Jakov Smolić
2022-03-13 18:36 Pacho Ramos
2021-11-16 10:08 Jakov Smolić
2021-11-16  7:50 Agostino Sarubbo
2021-11-16  3:14 Sam James
2021-11-06  8:53 Pacho Ramos
2021-11-06  8:53 Pacho Ramos
2021-10-10 20:48 Sam James
2021-10-05  6:48 Agostino Sarubbo
2021-10-04 11:00 Agostino Sarubbo
2021-10-03 18:45 Pacho Ramos
2021-09-02 12:01 Pacho Ramos
2021-09-02 12:01 Pacho Ramos
2021-09-02 12:01 Pacho Ramos
2021-09-02 12:01 Pacho Ramos
2021-09-02 12:01 Pacho Ramos
2021-06-18 19:18 David Seifert

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