diff options
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/Manifest.gz | bin | 9517 -> 9520 bytes | |||
| -rw-r--r-- | sci-chemistry/dssp/Manifest | 2 | ||||
| -rw-r--r-- | sci-chemistry/dssp/dssp-4.3.1.ebuild | 39 |
3 files changed, 41 insertions, 0 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz Binary files differindex 894deadab679..c7eef081e0e8 100644 --- a/sci-chemistry/Manifest.gz +++ b/sci-chemistry/Manifest.gz diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest index 1c9cd5664d45..b4893b3251c2 100644 --- a/sci-chemistry/dssp/Manifest +++ b/sci-chemistry/dssp/Manifest @@ -4,7 +4,9 @@ AUX dssp-2.2.1-boost-1.65-tr1-removal.patch 2126 BLAKE2B dc59d21a6be26ee96b636c1 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 EBUILD dssp-2.2.1-r3.ebuild 869 BLAKE2B a0941bcc1b057c0a8fc8aede77313cd79d9a81ac2ac23fb3cd3c0b79dbd13d028fa24ad83227fb8b582e63cc4a62ceaddebf2db710757d5fa4cfee83ca5438cf SHA512 84e21152a4de933ebe82a5cdf7bf66992f871ab2e4d8c3de974fae066e191c595a4de43680cbdd81265c6b638353d7d858d117f5c532894a1da7fac6e6018a43 EBUILD dssp-3.0.11.ebuild 874 BLAKE2B fb962065caca88ba6eb8eb8aec44c870b5d6a66fa068bf1f48e328202a1ad2deef717d6163bff8839b25545edfe5241fb4a69ea5bce73ff349f16e9959fd4ade SHA512 823ef9d37cf8793d9151770b831afa5f221906b3dfa57aa07aba8ddb19d6c95e00f88c9043c04efcfff1cbbad14931205d625523311da43ba5dc8eeecd4dc144 EBUILD dssp-4.2.2.1.ebuild 788 BLAKE2B a5db07b22d8d27e6c3ada69a8cb7764a9ff0d9acbbb0bb308d6bc4713e08ea427b10179ec24ed8b02c5766ede5c9061b9620e3f2d6e6fe7ff491780c66eee3c9 SHA512 829f9775b9a11d09305a28c4ce8bc1cb050b2155a5ca10c5abb24e0831cd62d3005623eac95f8018dac8e3e182f21716ac5e89cc0b797a0e574e6d5721fcd0ef +EBUILD dssp-4.3.1.ebuild 900 BLAKE2B d99a9024e58e5b2c53cbbfebb662a3fc546dd2a7b16a31394b312a2320bde8df9b62ecdef82295d924141e8427aee56a1e7277132e7767f481041dde6fd7c292 SHA512 1ac6d76fc9c37d5af8eecede2225d86517d27cd96a65ea4a6c9f1ce45eaf2e48fe0772838154639eebdbbccde3dd92bc6f5c9f8b2c37e3c9ca158534e5f8b8fc MISC metadata.xml 295 BLAKE2B 4355bbe00822cc702acdf70031ab9cd1f2a8f6e076d71016c1783f2a6c052c2da0a1a4a1860062562bb837161787f2481fa6f49c4319c546482a263ebe149bb0 SHA512 ace35ca21c614a7c0cbdea2496be3190a907295053566707c1875836a306cc9e9c96816cca6ce2b514935f6fcd494d2e813f4d94ba88552cd7b86831f30501f4 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 +} |