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sci-chemistry/shiftx2

Predicts of backbone and side chain 1H, 13C and 15N CS for proteins

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ChangeLog

commit 3072d10e6c4f21185d53e4728d0fa0fad58537e7
Author: Justin Lecher <jlec@gentoo.org>
Date: Sun Dec 10 22:20:38 2017 +0000

Update Manifests to new hashes

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 1e04d5868f177eb639f03889b59d2cba00206578
Author: Justin Lecher <jlec@gentoo.org>
Date: Sat Nov 18 21:01:49 2017 +0000

Second try to clean spaces in metadata.xml

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit bce61aa3e4fe85fe411df858eb30ebe72a3a8f88
Author: Justin Lecher <jlec@gentoo.org>
Date: Sat Nov 18 20:39:44 2017 +0000

Consistently ident with tabs

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit f69e73182fc7cdc6c600a72fceb88ae1626db25d
Author: Justin Lecher <jlec@gentoo.org>
Date: Sat Feb 25 16:50:59 2017 +0000

Drop leftover from CVS in HEADER

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 01a5062038a8bc55319bb81222c9f1bcd369cb20
Author: Justin Lecher <jlec@gentoo.org>
Date: Fri Feb 3 16:27:18 2017 +0000

Shorten all DESCRIPTION to <80 chars

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 057a98c5e6346d6696fcc7b0ec8fefc9e826245f
Author: Justin Lecher <jlec@gentoo.org>
Date: Mon Jan 25 09:53:09 2016 +0100

metadata.xml: Set type

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit b9d823e1ea1018d1356a0c18a083eab4d5ea6d8d
Author: Justin Lecher <jlec@gentoo.org>
Date: Mon Jan 25 09:50:12 2016 +0100

metadata.xml: convert hard -> proj

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 2ef24e800910be3786e23a31a0217ba0f38659f8
Author: Justin Lecher <jlec@gentoo.org>
Date: Thu Jan 7 15:10:39 2016 +0100

Drop ChangeLogs in favour of commit messages

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 5923310384f4106c3980b94e82fb9e90e96ea3c0
Author: Justin Lecher <jlec@gentoo.org>
Date: Fri Oct 23 12:32:52 2015 +0200

sci-chemistry/shiftx2: Fix for using glibc internal namings and format-security

Package-Manager: portage-2.2.23
Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit a6da897dd959421eca4a78deee4f55faff97c77b
Author: Justin Lecher <jlec@gentoo.org>
Date: Thu Oct 22 11:09:45 2015 +0200

Drop deprecated python eclass function

Parallel support has been removed from pyhton eclasses
python_parallel_foreach_impl -> python_foreach_impl

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 6271f0c55cbb6af7fe88ae1ec9d7dbdedd562565
Author: Justin Lecher <jlec@gentoo.org>
Date: Mon Aug 17 08:53:12 2015 +0200

Convert all $Header$ to $Id$ tags as it has be done in gentoo.git

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit a891336052fb27fd9f3f82e33c30f0984f50ea54
Author: Justin Lecher <jlec@gentoo.org>
Date: Sun Jun 21 12:25:27 2015 +0200

Revert "Gentoo does https by default now"

This reverts commit 98718494343af4990facdefb0033471686e975a6.

commit 98718494343af4990facdefb0033471686e975a6
Author: Justin Lecher <jlec@gentoo.org>
Date: Sun Jun 21 12:14:25 2015 +0200

Gentoo does https by default now

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit e4ee47d7762e1772e11c941b69744af1c045ab0a
Author: Justin Lecher <jlec@gentoo.org>
Date: Wed Mar 19 08:12:03 2014 +0100

sci-chemistry/shiftx2: Drop python2.6 support

Package-Manager: portage-2.2.8-r1

commit 1b9a1a664fe4a1e2515c3eedc842f0231dc0fcec
Author: Justin Lecher <jlec@gentoo.org>
Date: Thu Jan 30 09:10:53 2014 +0100

Sanitize ebuild header

Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit a75b0fbfcc09b31c70ee0c161e621895c666ba51
Author: Justin Lecher <jlec@gentoo.org>
Date: Wed Oct 23 08:41:58 2013 +0200

sci-chemistry/shiftx2: Add missing PYTHON_DEPS

Package-Manager: portage-2.2.7

commit eb1079711e4f060e5756cd2b0853c93a228d2da2
Author: Justin Lecher <jlec@gentoo.org>
Date: Tue Oct 15 11:35:24 2013 +0200

sci-chemistry/shiftx2: Add missing python-r1 stuff

Package-Manager: portage-2.2.7

commit 7cb3e5f7575ac1dbd5e06d8d9ba764fb7b606854
Author: Justin Lecher <jlec@gentoo.org>
Date: Tue Oct 15 15:31:11 2013 +0200

sci-chemistry/shiftx2: Add missing PYTHON_DEPS and PYTHON_REQUIRED_USE

Package-Manager: portage-2.2.7

commit 4e927f101d6f9623ea73756cf65d2d9df3a6533d
Author: Johann Schmitz <johann@j-schmitz.net>
Date: Fri Jun 21 15:45:51 2013 +0200

Completly removed the directory check in the java source (we have everything under control in gentoo).
Removed the .py extension from the -system.patch to make that part working again (it's installed without extensions to /usr/bin/!).

Package-Manager: portage-2.1.12.2

commit e2667d72a9cda457057fc4531574c2634dc92387
Merge: ad839ff 01c472c
Author: Justin Lecher <jlec@gentoo.org>
Date: Fri Jun 21 12:44:31 2013 +0200

Merge branch 'master' into jlec

* master: (29 commits)
sci-chemistry/shiftx: Block shiftx2 at runtime
sci-chemistry/shiftx: Fix patch and add patch for buffer overflow fix
The announced, but forgotten, change in sci-libs/fox-4.1.2-r2 actually done.
The announced, but forgotten, change in sci-libs/etsf_io-1.0.3-r2 actually done.
sci-physics/abinit/files/6.12.3-gui-makefiles.tbz put back, its deletion was a mistake.
sci-libs/trilinos: Version bump and rewrite
sci-libs/coinor-clp: Version bump and patch for mpi
For sci-libs/bigdft-abi and sci-physics/bigdft, filter LDFLAGS for cuda use not to break nvcc.
To sci-libs/bigdft-abi and sci-physics/bigdft added dev-util/gdbus-codegen among dependencies.
Spaces in the testing snippet of fortran code in sci-libs/bigdft-abi-1.0.4.ebuild protected from reformatting.
fixed qt4 build
fixing manifests
big fixes of metadata and package sub-herd re-distribution
sci-physics/openmx upgraded to 3.7.3 with some openMP and MPI C/F90 juggling, previous sci-physics/openmx-3.6 preserved for the time being.
sci-chemistry/talosn: drop upstream path in favour of our
sci-chemistry/modeller: Fix broken symlink, #473680
sci-chemistry/mics: New package
sci-chemistry/talosn: New package
Abinit & friends upgraded to sci-physics/abinit-7.2.2. BigDFT moved from sci-libs to sci-physics, sci-physics/abinit uses sci-libs/bigdft-abi instead. Usage of LIBDIR/finclude abandoned in favour of /usr/include, as mostly used upstream. Old files cleaned up.
Version of bigdft bumped to 1.7_pre24, moved from sci-libs to sci-physics. No longer used as a library by sci-physics/abinit. Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used upstream.
...

commit ad839ff3a63cc6f60e38ca234b01d8452c8bb8a0
Author: Justin Lecher <jlec@gentoo.org>
Date: Fri Jun 21 12:44:22 2013 +0200

Work in progress
Signed-off-by: Justin Lecher <jlec@gentoo.org>

commit 94a47aba8632bc468ef26c88c57fd81b63e5f609
Author: S├ębastien Fabbro <bicatali@gentoo.org>
Date: Tue Jun 18 10:11:54 2013 -0700

big fixes of metadata and package sub-herd re-distribution

commit 70c6bdd6914374ca8b505c4c843955e8289394d2
Author: Justin Lecher <jlec@gentoo.org>
Date: Sun Jun 16 19:22:08 2013 +0200

sci-chemistry/shiftx2: Respect FLAGS

Package-Manager: portage-2.2.0_alpha180

commit a5dea0ab4d52cd3e3c205d4bdb9ad1e8fe48f662
Author: Johann Schmitz <johann@j-schmitz.net>
Date: Sun Jun 16 18:55:30 2013 +0200

Enhanced the sci-chemistry/shiftx ebuild. Still needs some love for the emake part
(portage complains about LDFLAGS not respected), but should work.

commit e17ee503d9a4754bb8ee8b04f65d48404b731264
Author: Justin Lecher <jlec@gentoo.org>
Date: Sun Jun 16 16:23:05 2013 +0200

broken ebuild for java fixing
Signed-off-by: Justin Lecher <jlec@gentoo.org>