diff options
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/Manifest.gz | bin | 9530 -> 9533 bytes | |||
| -rw-r--r-- | sci-chemistry/mdtraj/Manifest | 4 | ||||
| -rw-r--r-- | sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild | 42 | ||||
| -rw-r--r-- | sci-chemistry/mdtraj/metadata.xml | 1 | ||||
| -rw-r--r-- | sci-chemistry/nmrglue/Manifest | 2 | ||||
| -rw-r--r-- | sci-chemistry/nmrglue/nmrglue-0.7.ebuild | 25 |
6 files changed, 2 insertions, 72 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz Binary files differindex 09c7f21e8e33..9debb9b5589f 100644 --- a/sci-chemistry/Manifest.gz +++ b/sci-chemistry/Manifest.gz diff --git a/sci-chemistry/mdtraj/Manifest b/sci-chemistry/mdtraj/Manifest index 632755c99598..1590ff1639b0 100644 --- a/sci-chemistry/mdtraj/Manifest +++ b/sci-chemistry/mdtraj/Manifest @@ -1,5 +1,3 @@ -DIST mdtraj-1.9.4.tar.gz 2133297 BLAKE2B c1507246bf0c8d7f6753f3d505f940e6f2f001361e42f10c9775647a7e6b58edf2d3953a8e48932f6bf9ad90b27e1baf30df6a7c1a590e49a860175822a25360 SHA512 55f67546db20ce63da3af2231df459e9983e15a65da960784613f746dcce820fe6b0deffbb21b528e93fc6cf674dc7a25ee11110894d2a89e5504e20d200ca38 DIST mdtraj-1.9.7.tar.gz 2087085 BLAKE2B 430b42eddee0be8beba47994efd16515727970ac7acb36007c9b153cdb474551e5ea228f78a194fa9672d5b169753a9db3c090412bf749b3f1e9323bad9f52de SHA512 5dc9d474909a160e0b1d7989325e8190d1c593087f0130854094eb9c49bc00fd631ea19142d396d49aa7a3dadddaf535b5e811f7574ffff36f0cd22f14691067 -EBUILD mdtraj-1.9.4.ebuild 1039 BLAKE2B e4fc018ad78751f66ea3a172114739c558a4a7abceabd947f4b3a0d83a4e20098a3123a7a6b6de6ba63cd2efbdbf75503a10b3cf791b30fafe5d0b04744b00c3 SHA512 2e29bf705d195a0c257c21b240ee016c7d10d265c6e22f5167be8b133129543e1cb769bbd5b55c62e37b46f1b363b33bc3ee5fded287845118c86e8f188409da EBUILD mdtraj-1.9.7.ebuild 1087 BLAKE2B fb1469b693a8beeebe5860300dfea6b6ce706f434b6f76ceced3a631bc6d3e7d821281961566fcd9daf3fbb941c990fc6aff60c966dc86f7b7e9e665f1a6c143 SHA512 7625eab8bd33c841aae1ed3656a7fe64c9c68630766016d8b44037bdcef5750f2d778eee37ce5e0eda9a6ca9366c318282852ab2bf5a93470289281c17f17704 -MISC metadata.xml 332 BLAKE2B 422e67ad033f6b8362b482ee940c03e77d63fd62ae6ec390b8b39bd9e549d9f15020da098a8540097b2743a4578cd366fdfe5eef64e8fbd3fe69384e8fd81305 SHA512 9807a22be3820caaf1d744f5afa0d382606971e90a23d67ba37a77738972899bbc0da09da5e8a61ac0f0d519c5eb1e116c80324c14922b88e9a99893fddc6766 +MISC metadata.xml 376 BLAKE2B 9fae78491c72370939157fcbf6f452831a46f919ffe0894d404cebff2d095735aaacfdbcae8e8500872ae69bfc790dfb8e788b9a904b9f44f82c873ed678299e SHA512 cce4d328ee75176dc53c4d8b7d1b74e153aeec929eeb15158054c557ddbaa2206b9bf3a7d729629bf8abfa0d8ce7f01206f9f240c2e78b390987cf014ee63669 diff --git a/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild b/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild deleted file mode 100644 index 374b682ad264..000000000000 --- a/sci-chemistry/mdtraj/mdtraj-1.9.4.ebuild +++ /dev/null @@ -1,42 +0,0 @@ -# Copyright 1999-2023 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 -PYTHON_COMPAT=( python3_9 ) - -inherit distutils-r1 - -DESCRIPTION="Read, write and analyze MD trajectories with only a few lines of Python code" -HOMEPAGE="https://mdtraj.org" -SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz" - -SLOT="0" -LICENSE="LGPL-2.1+" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" -IUSE="" - -RDEPEND=" - dev-python/astor[${PYTHON_USEDEP}] - dev-python/numpy[${PYTHON_USEDEP}] - dev-python/pandas[${PYTHON_USEDEP}] - dev-python/pytables[${PYTHON_USEDEP}] - dev-python/networkx[${PYTHON_USEDEP}] - dev-python/scipy[${PYTHON_USEDEP}] -" -DEPEND="${RDEPEND} - test? ( - dev-python/jupyter-client[${PYTHON_USEDEP}] - dev-python/nbformat[${PYTHON_USEDEP}] - ) -" - -distutils_enable_tests pytest - -# Tests fail (in previous ebuild versions they weren't even run -RESTRICT="test" - -python_prepare() { - sed -e "s:re.match('build.*(mdtraj.*)', output_dir).group(1):'.':g" \ - -i basesetup.py || die - distutils-r1_python_prepare_all -} diff --git a/sci-chemistry/mdtraj/metadata.xml b/sci-chemistry/mdtraj/metadata.xml index 950fb315228b..b91aca7d360a 100644 --- a/sci-chemistry/mdtraj/metadata.xml +++ b/sci-chemistry/mdtraj/metadata.xml @@ -7,5 +7,6 @@ </maintainer> <upstream> <remote-id type="github">mdtraj/mdtraj</remote-id> + <remote-id type="pypi">mdtraj</remote-id> </upstream> </pkgmetadata> diff --git a/sci-chemistry/nmrglue/Manifest b/sci-chemistry/nmrglue/Manifest index e4e843044e5f..0ce336d7bb1e 100644 --- a/sci-chemistry/nmrglue/Manifest +++ b/sci-chemistry/nmrglue/Manifest @@ -1,5 +1,3 @@ -DIST nmrglue-0.7.tar.gz 166596 BLAKE2B 769dbe1330a2b610393cea07edcb7c997d219038ead0330e442b491b84a51f3d1ac0dd22a9399b1af2f97fbfbf0d24316bd834d71804b4607209c5d11f24939e SHA512 4d9959d151954f38efc7ea4f93539970bc75098403b0b5575f0c4ff6c2c25c1f08e207d2dee281109ffb2bdea53f2e7beb04e251cec1f638712dfe38430c23d5 DIST nmrglue-0.9.tar.gz 14916942 BLAKE2B febe5c25a05474242654a63617388b4e65310050d07263cf6dd173ac75579c75b8b3238d7a20fe7e535ee43fe53828fe6776f18cc781c24ac571d58a1110314c SHA512 8e20a53cf53df6fb0f0ddba1361b1ead0f03c5cdd34cc7199fb9d6727060596a1f79c5c0139dd978f6b09551216a0042e8858603ce4c9b1f4063f04e06d912e5 -EBUILD nmrglue-0.7.ebuild 591 BLAKE2B 1ee30853273a2f2f2effb684450e04020a7d36b62863d4b1d628b078181dc1855bccafbd59429a747b0b78231dd051b3210f011130c13d47ac62210d9e228f88 SHA512 3cbee7ccf1213c3ce6f003f73cc5bdba76d3da88d08abf3039d328e53a6e5d647f06d087fe3b9b8a0c9ed44d1fb13e1daec0e7d483f2a5990cb095d0bc13b14d EBUILD nmrglue-0.9.ebuild 806 BLAKE2B 19d15dde6807494f7cd30c6eaf242aece1b7834b68a653f5f1ccdce312df1de977655979049d337c4b11da241048117d94b84238ae006236a81e5f8b008f707a SHA512 779e0a209fc8dc4a40998bb3cb8a8375f782abbbe19d69872f7f86bc616b9608b4ecfadd771e3bcb66b92eb02720429b4143c4c4e4a0feffd94982b630b410d6 MISC metadata.xml 1359 BLAKE2B 2af5f4f21a0e3a531df1f10709c7830fa23e54d0cadd03f08dcb4f4f44aaccb04078e4908e1503185c5ab5bbb3ad22d6a4f3dc88e7a38ca0866c62dba4b699b4 SHA512 0a139395593cc7162d852be49f3c89d109235da0d667131d0268fbf37ba39933951fe404aac5a71548b8d46cf157b63572f57ad47877bb349a7a42ac762ee4e4 diff --git a/sci-chemistry/nmrglue/nmrglue-0.7.ebuild b/sci-chemistry/nmrglue/nmrglue-0.7.ebuild deleted file mode 100644 index 3362c8fd80d8..000000000000 --- a/sci-chemistry/nmrglue/nmrglue-0.7.ebuild +++ /dev/null @@ -1,25 +0,0 @@ -# Copyright 1999-2023 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 -PYTHON_COMPAT=( python3_9 ) - -inherit distutils-r1 - -DESCRIPTION="A module for working with NMR data in Python" -HOMEPAGE="https://nmrglue.com/" -SRC_URI="https://github.com/jjhelmus/nmrglue/releases/download/v${PV}/${P}.tar.gz" - -SLOT="0" -LICENSE="BSD" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" -IUSE="" - -RDEPEND=" - dev-python/matplotlib[${PYTHON_USEDEP}] - dev-python/numpy[${PYTHON_USEDEP}] - dev-python/scipy[${PYTHON_USEDEP}] -" -DEPEND="${RDEPEND}" - -distutils_enable_tests nose |