From 129160ec854dca4c3fedb5bcfbcb56930371da0f Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Fri, 1 Jan 2021 21:06:00 +0000 Subject: gentoo new year resync : 01.01.2021 --- sci-chemistry/Manifest.gz | Bin 11377 -> 11372 bytes sci-chemistry/mdtraj/Manifest | 2 -- sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild | 34 -------------------- sci-chemistry/nmrglue/Manifest | 3 -- .../nmrglue/files/nmrglue-0.5-nohyper.patch | 33 ------------------- sci-chemistry/nmrglue/nmrglue-0.5-r1.ebuild | 35 --------------------- 6 files changed, 107 deletions(-) delete mode 100644 sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild delete mode 100644 sci-chemistry/nmrglue/files/nmrglue-0.5-nohyper.patch delete mode 100644 sci-chemistry/nmrglue/nmrglue-0.5-r1.ebuild (limited to 'sci-chemistry') diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz index cb3f561ac561..ad7ac02c8a11 100644 Binary files a/sci-chemistry/Manifest.gz and b/sci-chemistry/Manifest.gz differ diff --git a/sci-chemistry/mdtraj/Manifest b/sci-chemistry/mdtraj/Manifest index 8fb92e33df00..0b3196e467da 100644 --- a/sci-chemistry/mdtraj/Manifest +++ b/sci-chemistry/mdtraj/Manifest @@ -1,5 +1,3 @@ -DIST mdtraj-1.9.1.tar.gz 1985711 BLAKE2B 625b7c1da998bd46732604dcc93c76f970f3c79f10e81aa9f4b3051ee45101efea8afd803d539ba1831dac3e7ed208d7c3773f74189a3887063cbff2b4d79df6 SHA512 015d9d1e258a7a207ac3b7e7a81b87c308e8684ee0a173ae9b722a90910e95e7f2ee18158c163212fae39d093b0cf397293d6e713538acb1fd20a7b70f2adc76 DIST mdtraj-1.9.4.tar.gz 2133297 BLAKE2B c1507246bf0c8d7f6753f3d505f940e6f2f001361e42f10c9775647a7e6b58edf2d3953a8e48932f6bf9ad90b27e1baf30df6a7c1a590e49a860175822a25360 SHA512 55f67546db20ce63da3af2231df459e9983e15a65da960784613f746dcce820fe6b0deffbb21b528e93fc6cf674dc7a25ee11110894d2a89e5504e20d200ca38 -EBUILD mdtraj-1.9.1.ebuild 904 BLAKE2B f9d83a07faa64fd2d2cfc842683f77bcd9763cbe74e8b0a3981ede65be15bcc61e0d32bd950fec69c6fa39b06919d9c572d24679e84ea6d7f0c0ecadd4069c9a SHA512 9b67d016fa023bdd12b224559a86456b969b033b8f2c9ada250494e6b30e123fd91ae1f448b8891d77be0bb37652f8b450f9e48452a3abf0fa8b0ecbd0aff530 EBUILD mdtraj-1.9.4.ebuild 1075 BLAKE2B cc3523394f3b289f3be8f2df7a72d82c81962f9338a31d0c97c49323cdf070da76bc0ff3d8efe6ed0a56924f1a0bf893cd67357808f885dbc44350507d288066 SHA512 e50dc8a4e3615b78255f6b0a950943a8152a948eef8796c2a144e18b6f91e99e4a9de847df9cdc9cee6aadffd17bb4d465f49374883eea166a77702e0f2635fc MISC metadata.xml 259 BLAKE2B dfc879984b6adce945d0e0a50f6ede2bca87147b9db99491359cdeccc2e74a20d56e14ae8903dbb80c94854f89bee539f14a4e3ce864204e277accf3f124a748 SHA512 19fb78cf4029c154954a40df40e28fc8d98a8b7e6b42f97259f664d44c29b284feffb9d073cadc7f90b5654a64b2466e186cb677d3a11830206f173eb9057706 diff --git a/sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild b/sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild deleted file mode 100644 index cdf5b949625f..000000000000 --- a/sci-chemistry/mdtraj/mdtraj-1.9.1.ebuild +++ /dev/null @@ -1,34 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -PYTHON_COMPAT=( python3_6 ) -inherit distutils-r1 - -DESCRIPTION="Read, write and analyze MD trajectories with only a few lines of Python code" -HOMEPAGE="http://mdtraj.org" -SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz" - -SLOT="0" -LICENSE="GPL-2" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" -IUSE="test" -RESTRICT="!test? ( test )" - -RDEPEND=" - dev-python/setuptools[${PYTHON_USEDEP}] - dev-python/numpy[${PYTHON_USEDEP}] - dev-python/scipy[${PYTHON_USEDEP}] - dev-python/pandas[${PYTHON_USEDEP}] - dev-python/pytables[${PYTHON_USEDEP}] - dev-python/networkx[${PYTHON_USEDEP}] -" -DEPEND="${RDEPEND} - test? ( dev-python/nose[${PYTHON_USEDEP}] )" - -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/nmrglue/Manifest b/sci-chemistry/nmrglue/Manifest index e06d5701afbc..b3aebec8579f 100644 --- a/sci-chemistry/nmrglue/Manifest +++ b/sci-chemistry/nmrglue/Manifest @@ -1,6 +1,3 @@ -AUX nmrglue-0.5-nohyper.patch 1408 BLAKE2B 8e91e270183ce8f4c361fd3577dc4942b2afab81ee8f59df5c8dd9056dbf639653d2e84f9dc04026636dda98e28a244586ba5bc2cd4ed5c43c8a31d0c0cab4d1 SHA512 f68ea345f2692123e24fc41335001a0a8418b84003d864e9d673935d4a517aa82353e08f4f554b33ddc18cea96c9442827715cdabad6303dc60f5dd18cd103dd -DIST nmrglue-0.5.tar.gz 142604 BLAKE2B 9a018a73bea46176fc06042013cb23b3eeb962df8a595388da536d17f1d2d4d550065c5492df28de860ea1290314d2fa1110af349be0c2a8b1b31677b3e4afbc SHA512 2a4b94eb6bae966000bfdee4dd16f4e312568915fb5f19f59f84c6deff690703f54f76366d3f9299f7ec187192ff64f2bf62836617a424d4c5c895c67d819af2 DIST nmrglue-0.7.tar.gz 166596 BLAKE2B 769dbe1330a2b610393cea07edcb7c997d219038ead0330e442b491b84a51f3d1ac0dd22a9399b1af2f97fbfbf0d24316bd834d71804b4607209c5d11f24939e SHA512 4d9959d151954f38efc7ea4f93539970bc75098403b0b5575f0c4ff6c2c25c1f08e207d2dee281109ffb2bdea53f2e7beb04e251cec1f638712dfe38430c23d5 -EBUILD nmrglue-0.5-r1.ebuild 742 BLAKE2B bf7fb9d26c723d6d255f00ad68765927af0465cbe56bef317538292a44d790ab5a9e6730d3be53fef44e905295177eb283150269a5aedfa0ecaf3385040089d2 SHA512 09b9caccff10a98fbb88e2dee52ec800f2a2643827d565cf6c1737d54d1c8bdfcd10f757242ba1b7ed64b1c2947277c56d49a6c175424ab2a83c8170625ccc1a EBUILD nmrglue-0.7.ebuild 596 BLAKE2B b9ea11afa6fa1ca2f9cb29cb7cb462ff8ddaf48396573b21fcd0030cc5d165eedddf104c4b040267b4b4a1fa2351efe757f34b29a7bf5a03ed5dfcbe634ef010 SHA512 bb7b9a52ae16986cd01ca4f2a34ac9bcdbf9a50d4ea5c4db74c5a3b9735d0c6aced2272aa6aaee96be541c99a3b9d599e8342d365af5f967ae65599b675a44d5 MISC metadata.xml 1338 BLAKE2B 480651ef6112e93e3c70e734f4ca7d7b24653109f503fab6a340c9dc246b881b5ab103b90f8ffbc92a6d5352b399c15a33072292e549b4ffcc2689f049996cfd SHA512 7defa016b2c5f51327f282ef8dbb5f99767e554112baf10d72a6c86462d86bf7bd3129226340bbdb00f9e95b2349fc3594b6d0d8cd0175457bbb5f034e31aa7c diff --git a/sci-chemistry/nmrglue/files/nmrglue-0.5-nohyper.patch b/sci-chemistry/nmrglue/files/nmrglue-0.5-nohyper.patch deleted file mode 100644 index 103f5b154d0b..000000000000 --- a/sci-chemistry/nmrglue/files/nmrglue-0.5-nohyper.patch +++ /dev/null @@ -1,33 +0,0 @@ -From ba1eee9e71623110511545c058afe2a92e139aa5 Mon Sep 17 00:00:00 2001 -From: Jonathan Helmus -Date: Tue, 3 Mar 2015 19:47:05 -0600 -Subject: [PATCH] pipe_proc.py tp function correctly sets FDSIZE. - -Fixes issue #27 ---- - nmrglue/process/pipe_proc.py | 7 +++++-- - 1 file changed, 5 insertions(+), 2 deletions(-) - -diff --git a/nmrglue/process/pipe_proc.py b/nmrglue/process/pipe_proc.py -index 79b6303..8c1271c 100644 ---- a/nmrglue/process/pipe_proc.py -+++ b/nmrglue/process/pipe_proc.py -@@ -1527,13 +1527,16 @@ def tp(dic, data, hyper=False, nohyper=False, auto=False, nohdr=False): - data = np.array(p.tp_hyper(data), dtype="complex64") - else: - data = p.tp(data) -- if dic[fn2 + "QUADFLAG"] != 1 and nohyper is not True: -+ if dic[fn2 + "QUADFLAG"] != 1 and nohyper is False: - # unpack complex as needed - data = np.array(p.c2ri(data), dtype="complex64") - - # update the dimentionality and order - dic["FDSLICECOUNT"] = data.shape[0] -- if data.dtype == 'float32': -+ if (data.dtype == 'float32') and (nohyper is True): -+ # when nohyper is True and the new last dimension was complex -+ # prior to transposing then FDSIZE is set as if the dimension was -+ # converted to complex data, that is half the actual size. - dic["FDSIZE"] = data.shape[1] / 2 - else: - dic["FDSIZE"] = data.shape[1] diff --git a/sci-chemistry/nmrglue/nmrglue-0.5-r1.ebuild b/sci-chemistry/nmrglue/nmrglue-0.5-r1.ebuild deleted file mode 100644 index 3a767944a130..000000000000 --- a/sci-chemistry/nmrglue/nmrglue-0.5-r1.ebuild +++ /dev/null @@ -1,35 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python3_6 ) - -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}/${P}.tar.gz" - -SLOT="0" -LICENSE="BSD" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" -IUSE="test" -RESTRICT="!test? ( test )" - -RDEPEND=" - dev-python/matplotlib[${PYTHON_USEDEP}] - dev-python/numpy[${PYTHON_USEDEP}] - dev-python/scipy[${PYTHON_USEDEP}]" -DEPEND=" - test? ( - ${RDEPEND} - dev-python/nose[${PYTHON_USEDEP}] - ) -" - -PATCHES=( "${FILESDIR}"/${P}-nohyper.patch ) - -python_test() { - nosetests --verbosity=3 || die -} -- cgit v1.2.3