gentoo auto-resync : 02:05:2023 - 23:23:39

7 files changed, 46 insertions, 5 deletions

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
new file mode 100644
index 000000000000..5e7d91b36bf3
--- /dev/null
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
@@ -0,0 +1,39 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{9..10} )
+
+DISTUTILS_USE_PEP517=setuptools
+PYPI_NO_NORMALIZE=1
+
+inherit distutils-r1 pypi
+
+DESCRIPTION="A python library to analyze and manipulate molecular dynamics trajectories"
+HOMEPAGE="https://www.mdanalysis.org"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+
+# TODO: fix this
+# ImportError: MDAnalysis not installed properly. This can happen if your C extensions have not been built.
+RESTRICT="test"
+
+RDEPEND="
+	>=dev-python/numpy-1.16.0[${PYTHON_USEDEP}]
+	>=dev-python/scipy-1.0.0[${PYTHON_USEDEP}]
+	>=sci-biology/biopython-1.71[${PYTHON_USEDEP}]
+	>=dev-python/networkx-1.0[${PYTHON_USEDEP}]
+	>=dev-python/GridDataFormats-0.4.0[${PYTHON_USEDEP}]
+	>=dev-python/joblib-0.12[${PYTHON_USEDEP}]
+	>=dev-python/matplotlib-1.5.1[${PYTHON_USEDEP}]
+	>=dev-python/mmtf-python-1.0.0[${PYTHON_USEDEP}]
+	>=dev-python/tqdm-4.43.0[${PYTHON_USEDEP}]
+	>=dev-python/gsd-1.9.3[${PYTHON_USEDEP}]
+	dev-python/threadpoolctl[${PYTHON_USEDEP}]
+"
+BDEPEND="${RDEPEND}"
+
+distutils_enable_tests pytest
diff --git a/sci-chemistry/MDAnalysis/Manifest b/sci-chemistry/MDAnalysis/Manifest
index 4a7f9b1dbab3..f8c58176d234 100644
--- a/sci-chemistry/MDAnalysis/Manifest
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -1,3 +1,5 @@
 DIST MDAnalysis-2.4.1.tar.gz 3746899 BLAKE2B af63f74a31dcde8a68cbffe5158f2f955d5eda1345bcff6a19e8df3284101b1e85006de3326d29d4fe1867dc6b0c5f55467b9e3242704f97440c6a43b52f47b8 SHA512 796dad98c26bd36f30db166bea5ff782aa5e3ac5cddb1675b628fb753a4f645fb27e06d3986047e2ba21a22cd91f96d0ba8e529256ed960a2b7cf95204076927
+DIST MDAnalysis-2.4.3.tar.gz 3747565 BLAKE2B 733be78aa3e57e8bbb9c291606a86d9100cb904cc587fa3e44c4205596b4da7eb5c2247388655dcd145b45ca6ecb47a3f95d7d659d029232d1febd2ebc99ab51 SHA512 0870bc392ef8b8fbae68cf60d1df2f5d413f4d1235ca795421061fd32a8fe97867d5bd610288237a59d1075f31cc43d281ab2f1e7e8bb0767dac7d278b8453d8
 EBUILD MDAnalysis-2.4.1.ebuild 1144 BLAKE2B b2fc1e7f4c328ec7b30a75c6328ab9b6191c22e5f7f47209a935b148a982a605a843c469a27c27cfe909181b8167df6c3d3d28644f4627fd511fc4ed077ad4ac SHA512 307f37fd9acf7044599cfe86a51796d67afda7308eff5dbab6ea12511003ba8ad1c902cdd099f6a9fcf23d43c81ccdbb12b0de17b083abd5d5bf5606f09f53b2
+EBUILD MDAnalysis-2.4.3.ebuild 1144 BLAKE2B b2fc1e7f4c328ec7b30a75c6328ab9b6191c22e5f7f47209a935b148a982a605a843c469a27c27cfe909181b8167df6c3d3d28644f4627fd511fc4ed077ad4ac SHA512 307f37fd9acf7044599cfe86a51796d67afda7308eff5dbab6ea12511003ba8ad1c902cdd099f6a9fcf23d43c81ccdbb12b0de17b083abd5d5bf5606f09f53b2
 MISC metadata.xml 497 BLAKE2B ddd8c6379dfe6b6fe33160d31bda254774e0c8eb5f862cc51560097efc5c273fa972388c6fe8fb1bbedc11ab125a5487bb1d19002489be967fa3e8e209d7cc81 SHA512 03c1eb9bef1bc10d600169b221c65c87794f8b9bf8d0efb1dc6ddaa61a09d665722ed7d32087e3137b36aa7256b76371b9ce2cc92b34b1ed7d1c78ede6550287
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 9debb9b5589f..0bf0e63163c1 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
diff --git a/sci-chemistry/pymol/Manifest b/sci-chemistry/pymol/Manifest
index 956a67cbce7a..1d04a0b60c5e 100644
--- a/sci-chemistry/pymol/Manifest
+++ b/sci-chemistry/pymol/Manifest
@@ -1,4 +1,4 @@
 DIST pymol-1.8.4.0.png.xz 19528 BLAKE2B f3d23d4cedca3d8bb96b20646a548da4be570697e3346a11b01c5c3599b536ba4697be08472dfa8a4f6533167defc1a37a1de332931a73857319cb28fd42cd2b SHA512 40bb0d3f226476f6e047b5361956aad955232a97641474765eaa5204f0539aee3810e0266213618a45364f9f31f6eb18380b17e0c79f64065f7b62a9016caa7c
 DIST pymol-2.5.0.tar.gz 10470268 BLAKE2B ad3721432001053be93afe755f531ae47348213b042e84dae33cd79580428c9ac3d00629afa0222e4081807dc80e2dd69c3963a457666b5975b6263b988d02d9 SHA512 19f21b8f735fda5314abf202d56f3c81c7251bf6ef0df73ccee534d9c08035f4ef6155ffb68e09d7717a0fb5ba7289bbfa440691bea4cec0de7199c9e858ea91
-EBUILD pymol-2.5.0-r2.ebuild 2628 BLAKE2B d200613ec092f9ac5d2d4fb861157681cb5ee32ef4ed6b20f376ef28c6b7ca812a4410244f6f688981fd83c242c2b622b716e7a6ccd96d90d6af5695f9b4d270 SHA512 00afc275d1b5723b93fb93beb23cbe52fb5849dfbefc06ca0e00b197ce5f5ee3e81fb4b7443f41ef70b42983ae9ab4f4f58414737e81f1f28d29b3b164f89da0
+EBUILD pymol-2.5.0-r2.ebuild 2628 BLAKE2B 7912d2351535a97c6bd115edf5294ab40c928819f88b3789b27db8414d5ca41569c5849cfdab35c33233179c07b2dfed3521376ebb2579a302d89510e8d784d4 SHA512 e7898cbd163da09bb50d98d04ac6e0d1b2c426c017e7cdb397c63dabc8aa13470980da16d7c0923961938859f46751a02b51dcb17cc0dd6335c099da5c4bb659
 MISC metadata.xml 495 BLAKE2B 32d321e92c7e7c226747660c314f5cff9aabf9ee41c8a864064432ac9554879db7bf60640993dadae6e00a9b7d1367cb8ab228b63b8797ca84e5618eeeb192cc SHA512 36ef956d111c76182c70c81a830885f540fb2710f696b2711837d4bf1055a8792226f38b827f389a3a3861f259bae1394d6da50c2b33a0ddb4e6940262e1b25d
diff --git a/sci-chemistry/pymol/pymol-2.5.0-r2.ebuild b/sci-chemistry/pymol/pymol-2.5.0-r2.ebuild
index a4653ad70c83..8a5317d06c11 100644
--- a/sci-chemistry/pymol/pymol-2.5.0-r2.ebuild
+++ b/sci-chemistry/pymol/pymol-2.5.0-r2.ebuild
@@ -3,7 +3,7 @@
 
 EAPI=8
 
-PYTHON_COMPAT=( python3_{9..10} )
+PYTHON_COMPAT=( python3_{9..11} )
 DISTUTILS_USE_SETUPTOOLS=no
 
 inherit desktop flag-o-matic xdg distutils-r1
diff --git a/sci-chemistry/vmd/Manifest b/sci-chemistry/vmd/Manifest
index 655a05d71f62..81ada4ca0219 100644
--- a/sci-chemistry/vmd/Manifest
+++ b/sci-chemistry/vmd/Manifest
@@ -1,4 +1,4 @@
 DIST vmd-1.9.4_alpha57-gentoo-patches.tar.xz 14612 BLAKE2B e50a2fc734038207174dd5cc525f01824ce324a65b8ce604f83862ce50be6b1950d199188a717e2368b2b050256a4705662009e3530d621b19c52bb109b6a844 SHA512 6283076e47dfcd780bbc94f9ca2b044a028a472c09d78616d373813d81ec764bf1697e56a8f487f9f0999cf409c0f141bf248156f60851073347d1b640a6953c
 DIST vmd-1.9.4a57.src.tar.gz 43155120 BLAKE2B de0da96f6681c24e7b1d38890f109088187198cbdddb3d86d783322e837b7a71224085699f3addf2833cf293ab2689f06ab47df284b8fbe080162740094ae844 SHA512 0a3726d8fa279ac62c368cd18724cd09535618454ff6e299d147291ef5d4198ad9d58a94f0b05699ec8a23128753c55e7397c95a5ce194e36d3fabef1bcf454c
-EBUILD vmd-1.9.4_alpha57.ebuild 7530 BLAKE2B d1e77a329e1345b4a80442bace60f6b42e83ef34f5384d0c7fa7126135b952d221c83cbec0f6682253d0dfbc2dd8e856550ef2a4174c3aace8cf4d06467537ca SHA512 1d9e54496bcd6fbb8805c4a9bc89368693a045b6946a80f09fd9715609bd30d2226c3ab31557f8c0830211e289d771dd936496bc44acd272497af9375659512e
+EBUILD vmd-1.9.4_alpha57.ebuild 7517 BLAKE2B a848eae8ebe51dfb121881094fa961a6efc21a996805b740c054c23eda23acf9597f027f60cec94f6afab38e68873197f2887c839a8c5b61086b8116208c9648 SHA512 30ecd04d695fee5321b00ea0b69c07588af65523909f8b74dd333f4694d0c2167e288d61993272f543699a0c08cfa4cc201068a1f1e50d2b8dabfcc02a5b818a
 MISC metadata.xml 779 BLAKE2B 5d824ae91cfeb1b482fb2cf1e5f8968dffe1abea898d26dc6e4949d7ba86396474964c847ee511d19d00769ed2bdf0f9a4daa7bfa779985308a93636dccfba82 SHA512 05de02395a8220118a2694df845ac125e0b2eb2720a699cbda2a84b73487ae14cb44077140698c109b5f58c30a1815b2a670a02121f85b70b90f75e40a9764d9
diff --git a/sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild b/sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild
index 5dba4060a94b..af9f38835c45 100644
--- a/sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild
+++ b/sci-chemistry/vmd/vmd-1.9.4_alpha57.ebuild
@@ -2,9 +2,9 @@
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=8
-PYTHON_COMPAT=( python3_{9..10} )
+PYTHON_COMPAT=( python3_{9..11} )
 
-inherit cuda desktop flag-o-matic prefix python-single-r1 toolchain-funcs xdg
+inherit cuda desktop prefix python-single-r1 toolchain-funcs xdg
 
 DESCRIPTION="Visual Molecular Dynamics"
 HOMEPAGE="http://www.ks.uiuc.edu/Research/vmd/"