diff options
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/Manifest.gz | bin | 9687 -> 9685 bytes | |||
| -rw-r--r-- | sci-chemistry/chemex/Manifest | 6 | ||||
| -rw-r--r-- | sci-chemistry/chemex/chemex-2022.1.0.ebuild | 42 | ||||
| -rw-r--r-- | sci-chemistry/chemex/chemex-2022.3.0.ebuild (renamed from sci-chemistry/chemex/chemex-2022.0.1-r1.ebuild) | 18 | ||||
| -rw-r--r-- | sci-chemistry/dssp/Manifest | 4 | ||||
| -rw-r--r-- | sci-chemistry/dssp/dssp-4.2.2.1.ebuild (renamed from sci-chemistry/dssp/dssp-4.0.4.ebuild) | 8 |
6 files changed, 17 insertions, 61 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz Binary files differindex 0169a490405a..7aeb02e93faf 100644 --- a/sci-chemistry/Manifest.gz +++ b/sci-chemistry/Manifest.gz diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest index 022ff07d1179..b95667e1f4e7 100644 --- a/sci-chemistry/chemex/Manifest +++ b/sci-chemistry/chemex/Manifest @@ -1,7 +1,5 @@ -DIST chemex-2022.0.1.tar.gz 2840066 BLAKE2B 05e3cd048a996b85e9a88297180bdd6e0b972619f5ac734d10a5744e7ab28fa2080bf6d6b53b69d04192ca420a24014f7eded0668ec716218ca4cc4877875ec9 SHA512 c2b49d83d618e69e43737b9d8b6a16de4fc46b481b2c65aaa4110bf425cd71bd5347240e7336855ec294ea126dd036262535645fca93ae352616f1a71b11e698 -DIST chemex-2022.1.0.tar.gz 2836330 BLAKE2B 69c0e23a5195fca210e2c7c8c2f31196e23e416a8be47856589491586ae7de05ccd10982ec3d752015fc8a571dd6f0e63f52715452fc9388b38999532a5fdf12 SHA512 00d7f07b0c6d301d88ff2a1bebeb82fe9dc51c7deddf3db371f73b62d1156c5d369ffedb474bead618abde8334fab9e6e9ceb481f6b4bdac5eceeb7bee899b2a DIST chemex-2022.2.0.tar.gz 2837302 BLAKE2B 611e51a3a29dd479119dd0b2fa7aa0eae08aa59806cc26f61feda7aca7b2a94b6cc75458ec753f989ee1076b3fa49998d7fed26de1a1408432fd416d364a8f8a SHA512 52d3d8e4edd148c0e93a8c4ba4a0a487df76e332155994dc347af5e65e3baebbc39617a653853c6f5787e571c0dda756dfdec35446bc00fe9965ae1c2e8192f0 -EBUILD chemex-2022.0.1-r1.ebuild 1249 BLAKE2B 832d5323349b107606813e7eceae349ee1b9d591613de21f14887b67102b043c2155b3d1e758d66855d4547057e71bce2f887042e66f732d6677cec44ad998f3 SHA512 a9b1dd5c3c10ca9a221541c7426d08ebcba84421a634c8a71776bbf1e7c5b5bda281fb6890ae64104fe677c1723de881a54aedd3b98d667bea975796318d9908 -EBUILD chemex-2022.1.0.ebuild 1250 BLAKE2B 53960f44ba4feef7e0a8751af07a656415fcd79fe970f3133665be1782dcda5443b9a2e359e54fb8013a6c486e52930aef468581a0401f131396d586ef0d1a31 SHA512 e906f232143ce47ec129fea844bf1909cdeffb583d55503de5a71c5899a0cf63ffafe49f5a70de7a98ab55f3251fbf546fdfea1610f6ced1034595c52e5a8666 +DIST chemex-2022.3.0.tar.gz 2842921 BLAKE2B d0fe809ed64ee86ef319bd76c33dea1e75de13fc7cdf7e77d8cb74e4c76b66edd6e3c535df405a66bfc228780f34ee18a56639241ae8c234ac4128ed4ba806f3 SHA512 93a8e362ec024a3d49e2792e485b3a7808944fb02c41dae0d0b2af14ccb00b95d9edddc47eef0f08d1040b08cf6078be74b45185be84b495ead96c951ee52515 EBUILD chemex-2022.2.0.ebuild 1251 BLAKE2B 80752f43f4fe5482c5d3e312dd27915dec288a9c1032f3ca78cdaf7ea1df05758c0b4dc6f262b004220cb0c4d93eeeec8c6f636f9bb6462991b95b5098a06796 SHA512 b725cda8a82f0f262d2c8f5db8c4b93137d80cec1d4be8d5141e8148ae1cd0dc8dfea3aad2150cd343e5c08162b9f04853efe45d877dae13ba85f99567501230 +EBUILD chemex-2022.3.0.ebuild 1251 BLAKE2B ca114ddd2d001cc8483f03bbf6e360d4e6f9c43c3fc013728a8691b4e220f81bbcda5ea7285502b7def50c8e2adcb57a10a536e27901b0da78d93f0e22eee1e7 SHA512 14dbbfd46838fb85a476328648c7eb5ef02909279f65f88ba8c4169991c0fdc6c84bafe526aac2f1046dcf4701fc34853573e1c0c8d041738852976326bc4731 MISC metadata.xml 300 BLAKE2B a1ad769918094ddbda13ac92462ec69fa469dfcacde1202c653a4aa7443db661ffa5739cd039b6e38b13f0345a2680f276b4e071362106b162c95cd92007b5a8 SHA512 755c273f6bf67f79c388d06d970702a1d4a9f84338f8d889dd9146905c6994621917952225406ffba5bfe1e1b69f0bfd0f471374178b15343f4927af9de49aef diff --git a/sci-chemistry/chemex/chemex-2022.1.0.ebuild b/sci-chemistry/chemex/chemex-2022.1.0.ebuild deleted file mode 100644 index a67b5eb6bbe8..000000000000 --- a/sci-chemistry/chemex/chemex-2022.1.0.ebuild +++ /dev/null @@ -1,42 +0,0 @@ -# Copyright 1999-2022 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=8 - -DISTUTILS_SINGLE_IMPL="yes" -DISTUTILS_USE_PEP517=poetry -PYTHON_COMPAT=( python3_{9..10} ) - -inherit distutils-r1 - -DESCRIPTION="Program to fit chemical exchange induced shift and relaxation data" -HOMEPAGE="https://github.com/gbouvignies/chemex" -SRC_URI="https://github.com/gbouvignies/ChemEx/archive/refs/tags/v${PV/_p/-dev}.tar.gz -> ${P}.tar.gz" -S="${WORKDIR}/ChemEx-${PV/_p/-dev}" - -SLOT="0" -LICENSE="BSD" -KEYWORDS="~amd64" -IUSE="test" - -#RESTRICT="!test? ( test )" -# FIXME: Restrict until tests are readded https://github.com/gbouvignies/ChemEx/issues/51 -RESTRICT="test" - -RDEPEND=" - $(python_gen_cond_dep ' - >=dev-python/asteval-0.9.25[${PYTHON_USEDEP}] - >=dev-python/cachetools-5.2.0[${PYTHON_USEDEP}] - >=dev-python/lmfit-1.0.3[${PYTHON_USEDEP}] - >=dev-python/matplotlib-3.6.1[${PYTHON_USEDEP}] - >=dev-python/numpy-1.23.4[${PYTHON_USEDEP}] - >=dev-python/pydantic-1.10.2[${PYTHON_USEDEP}] - >=dev-python/rapidfuzz-2.11.0[${PYTHON_USEDEP}] - >=dev-python/rich-12.6.0[${PYTHON_USEDEP}] - >=dev-python/scipy-1.9.3[${PYTHON_USEDEP}] - >=dev-python/tomli-2.0.1[${PYTHON_USEDEP}] - ') -" -DEPEND="${RDEPEND}" - -distutils_enable_tests pytest diff --git a/sci-chemistry/chemex/chemex-2022.0.1-r1.ebuild b/sci-chemistry/chemex/chemex-2022.3.0.ebuild index 9abd2a6493fb..172721dca8e1 100644 --- a/sci-chemistry/chemex/chemex-2022.0.1-r1.ebuild +++ b/sci-chemistry/chemex/chemex-2022.3.0.ebuild @@ -1,11 +1,11 @@ -# Copyright 1999-2022 Gentoo Authors +# Copyright 1999-2023 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=8 DISTUTILS_SINGLE_IMPL="yes" DISTUTILS_USE_PEP517=poetry -PYTHON_COMPAT=( python3_{9..10} ) +PYTHON_COMPAT=( python3_{9..11} ) inherit distutils-r1 @@ -27,13 +27,13 @@ RDEPEND=" $(python_gen_cond_dep ' >=dev-python/asteval-0.9.25[${PYTHON_USEDEP}] >=dev-python/cachetools-5.2.0[${PYTHON_USEDEP}] - >=dev-python/lmfit-1.0.3[${PYTHON_USEDEP}] - >=dev-python/matplotlib-3.5.3[${PYTHON_USEDEP}] - >=dev-python/numpy-1.23.3[${PYTHON_USEDEP}] - >=dev-python/pydantic-1.10.2[${PYTHON_USEDEP}] - >=dev-python/rapidfuzz-2.8.0[${PYTHON_USEDEP}] - >=dev-python/rich-12.5.1[${PYTHON_USEDEP}] - >=dev-python/scipy-1.9.1[${PYTHON_USEDEP}] + >=dev-python/lmfit-1.1.0[${PYTHON_USEDEP}] + >=dev-python/matplotlib-3.6.2[${PYTHON_USEDEP}] + >=dev-python/numpy-1.24.1[${PYTHON_USEDEP}] + >=dev-python/pydantic-1.10.4[${PYTHON_USEDEP}] + >=dev-python/rapidfuzz-2.13.7[${PYTHON_USEDEP}] + >=dev-python/rich-13.0.0[${PYTHON_USEDEP}] + >=dev-python/scipy-1.10.0[${PYTHON_USEDEP}] >=dev-python/tomli-2.0.1[${PYTHON_USEDEP}] ') " diff --git a/sci-chemistry/dssp/Manifest b/sci-chemistry/dssp/Manifest index 327aabf800cc..c3e72ea4b5f8 100644 --- a/sci-chemistry/dssp/Manifest +++ b/sci-chemistry/dssp/Manifest @@ -3,10 +3,10 @@ AUX dssp-2.1.0-gentoo.patch 1513 BLAKE2B aabdcfff1083d7552392c35897eb8a84b07323c 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-4.0.4.tar.gz 122183 BLAKE2B b12702c482ad58f09d96e9c85759ebe9455961978277e25d1ee554d07a643b342acf2dbcd3c18d539f058b970c24888a43827b6bac47899ca61bf96dd0c2723b SHA512 e0646bb20f10617174b0970c549fd44990750f46f7a550e4c3bc89487a8d3b7a175d53b2abb0684f9d96203a23d64ae67c6c10688fd4f5f59ff19995f9149ef8 DIST dssp-4.2.0.tar.gz 157104 BLAKE2B 4caffb5f7cfe2a130e3ac6c5efa41689bbbb8ee054333cd4320cf77ac36dccaa128fe816ca57b6bd287271924122de4252076628098db415c854df6f09c17ac2 SHA512 b86c736ea9fdf62be923f8a69bae56f7298cd01e6623c1f3eee6951e20483d24438b1318924e980b6a98b19c77cb84d4ba66260a575b63e7c536ecba0478c4a5 +DIST dssp-4.2.2.1.tar.gz 144413 BLAKE2B 97c587bc0b4ef3d212ae81d568f817aab54f1dd2a77d170746e9b0d3f1bd63873d21fb0a7fc38c0300fc091f21241820d5d009d42a9e3e33dcc608c046185d9f SHA512 6daa41aea766940bf40afaee068daef341a7f79cae79d967b8da00e7002bdb602deaed40e452a5f0cea9aa2041a5c8678dfcae2e0f595cc5a0856392162dcdff 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-4.0.4.ebuild 762 BLAKE2B 684d44f77f703492327d8d6e15450f9886a6b37fbc1e72f0ff3977b7c0503c16035fa00c8bd2d2999714de87478404e31ba949852628b8b42a5763a9a4686b97 SHA512 8a1bf8b0661d5d5dbcc2e09dd9ec14b4ad14f559e8734bdee3a7fac4e1e3614da191141b4131a98b7f62678901d306eb410450adb698910f8b2a8f443da66294 EBUILD dssp-4.2.0.ebuild 788 BLAKE2B 1da219b5ac583520fb188cee6f9e75728c2408d8850a1f4b0ab3c9623e17a7376f2630e97ae06b450596b2d671b7d7bfdd341d9b9f1ac75f70fc1a911b6e1361 SHA512 ce2a4c2439a9b5a7368a2198b7531c1ce79e464f98bb388d85a134a29e8309faf6eff3c8985af706817cefd287c70832d501c57f238ca18109285d5dd4650277 +EBUILD dssp-4.2.2.1.ebuild 788 BLAKE2B a5db07b22d8d27e6c3ada69a8cb7764a9ff0d9acbbb0bb308d6bc4713e08ea427b10179ec24ed8b02c5766ede5c9061b9620e3f2d6e6fe7ff491780c66eee3c9 SHA512 829f9775b9a11d09305a28c4ce8bc1cb050b2155a5ca10c5abb24e0831cd62d3005623eac95f8018dac8e3e182f21716ac5e89cc0b797a0e574e6d5721fcd0ef MISC metadata.xml 295 BLAKE2B 4355bbe00822cc702acdf70031ab9cd1f2a8f6e076d71016c1783f2a6c052c2da0a1a4a1860062562bb837161787f2481fa6f49c4319c546482a263ebe149bb0 SHA512 ace35ca21c614a7c0cbdea2496be3190a907295053566707c1875836a306cc9e9c96816cca6ce2b514935f6fcd494d2e813f4d94ba88552cd7b86831f30501f4 diff --git a/sci-chemistry/dssp/dssp-4.0.4.ebuild b/sci-chemistry/dssp/dssp-4.2.2.1.ebuild index 756e23958f93..32167a786c22 100644 --- a/sci-chemistry/dssp/dssp-4.0.4.ebuild +++ b/sci-chemistry/dssp/dssp-4.2.2.1.ebuild @@ -1,4 +1,4 @@ -# Copyright 1999-2022 Gentoo Authors +# Copyright 1999-2023 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=8 @@ -6,8 +6,7 @@ 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/${PN}/archive/refs/tags/${PV}.tar.gz -> ${P}.tar.gz" +SRC_URI="https://github.com/PDB-REDO/${PN}/archive/refs/tags/v${PV}.tar.gz -> ${P}.tar.gz" LICENSE="BSD-2" SLOT="0" @@ -16,7 +15,8 @@ IUSE="" BDEPEND=" dev-libs/boost:=[zlib] - >=sci-libs/libcifpp-2.0.0 + >=dev-libs/libmcfp-1.2.2 + >=sci-libs/libcifpp-5.0.8 " DEPEND="" RDEPEND="${BDEPEND}" |