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<h3>
Alexandre Mestiashvili pushed to branch master
at <a href="https://salsa.debian.org/med-team/plip">Debian Med / plip</a>
</h3>
<h4>
Commits:
</h4>
<ul>
<li>
<strong><a href="https://salsa.debian.org/med-team/plip/-/commit/054b2dd5e48db247e3cfc1706a2724f62af12e04">054b2dd5</a></strong>
<div>
<span>by Alexandre Mestiashvili</span>
<i>at 2020-07-08T14:27:02+02:00</i>
</div>
<pre class="commit-message" style="white-space: pre-wrap; margin: 0;">Add build-mulit.sh to Files-Excluded in d/copyright
</pre>
</li>
<li>
<strong><a href="https://salsa.debian.org/med-team/plip/-/commit/b2f25057869fd54676363ff6f21ddda7ad293e7c">b2f25057</a></strong>
<div>
<span>by Alexandre Mestiashvili</span>
<i>at 2020-07-08T14:27:30+02:00</i>
</div>
<pre class="commit-message" style="white-space: pre-wrap; margin: 0;">New upstream version 2.1.3+dfsg</pre>
</li>
<li>
<strong><a href="https://salsa.debian.org/med-team/plip/-/commit/8b1d5ddcd7e4ac5b22c8bc5b980bcdaf88a0565d">8b1d5ddc</a></strong>
<div>
<span>by Alexandre Mestiashvili</span>
<i>at 2020-07-08T14:27:30+02:00</i>
</div>
<pre class="commit-message" style="white-space: pre-wrap; margin: 0;">Update upstream source from tag 'upstream/2.1.3+dfsg'
Update to upstream version '2.1.3+dfsg'
with Debian dir 353e5b9541e35533c1b9cb6a84174e749cb974e3</pre>
</li>
<li>
<strong><a href="https://salsa.debian.org/med-team/plip/-/commit/0d942ce3cffb19d14db1ecdd88a8d0bc68c90bfb">0d942ce3</a></strong>
<div>
<span>by Alexandre Mestiashvili</span>
<i>at 2020-07-08T14:34:57+02:00</i>
</div>
<pre class="commit-message" style="white-space: pre-wrap; margin: 0;">Update changelog
Gbp-Dch: Ignore
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<h4>5 changed files:</h4>
<ul>
<li class="file-stats">
<a href="#3251d7a8143ce2e789f0468513df8f285f842c3a">
CHANGES.txt
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<li class="file-stats">
<a href="#8ec9a00bfd09b3190ac6b22251dbb1aa95a0579d">
README.md
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<li class="file-stats">
<a href="#9c96da0e9f91d7d8937b69b524702c106258f0d1">
debian/changelog
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<li class="file-stats">
<a href="#adb7f75f79e3bb85eb62912a2904c5d24af878fb">
debian/copyright
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<li class="file-stats">
<a href="#e0bdfb93722bb0bccd3faf9d5cbf446297ff47c4">
plip/basic/config.py
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</ul>
<h4>Changes:</h4>
<li id="3251d7a8143ce2e789f0468513df8f285f842c3a">
<a href="https://salsa.debian.org/med-team/plip/-/compare/836818258ae71108aae56c3137fddbde577ee29d...0d942ce3cffb19d14db1ecdd88a8d0bc68c90bfb#3251d7a8143ce2e789f0468513df8f285f842c3a"><strong>CHANGES.txt</strong></a>
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<pre style="margin: 0;"> <span id="LC1" class="line" lang="plaintext">Changelog</span>
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<pre style="margin: 0;"> <span id="LC2" class="line" lang="plaintext">---------</span>
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<pre style="margin: 0;">+<span id="LC3" class="line" lang="plaintext"># 2.2.0</span>
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<pre style="margin: 0;">+<span id="LC4" class="line" lang="plaintext">* bug fixes in code and deployment</span>
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<pre style="margin: 0;">+<span id="LC5" class="line" lang="plaintext">* multi-architecture builds on https://hub.docker.com/r/pharmai/plip</span>
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<pre style="margin: 0;">+<span id="LC6" class="line" lang="plaintext">* Docker build for Ubuntu 20.04 LTS</span>
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<pre style="margin: 0;">+<span id="LC7" class="line" lang="plaintext"></span>
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<pre style="margin: 0;"> <span id="LC8" class="line" lang="plaintext"># 2.1.0</span>
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<pre style="margin: 0;"> <span id="LC9" class="line" lang="plaintext">* maintainer changed to PharmAI GmbH</span>
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<pre style="margin: 0;"> <span id="LC10" class="line" lang="plaintext">* full compatibility to Python 3 and OpenBabel 3</span>
</pre>
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<li id="8ec9a00bfd09b3190ac6b22251dbb1aa95a0579d">
<a href="https://salsa.debian.org/med-team/plip/-/compare/836818258ae71108aae56c3137fddbde577ee29d...0d942ce3cffb19d14db1ecdd88a8d0bc68c90bfb#8ec9a00bfd09b3190ac6b22251dbb1aa95a0579d"><strong>README.md</strong></a>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -3,7 +3,8 @@</td>
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<pre style="margin: 0;"> <span id="LC3" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">PLIP Build</span><span class="p">](</span><span class="sx" style="color: #d14;">https://github.com/pharmai/plip/workflows/PLIP%20Build/badge.svg</span><span class="p">)</span></span>
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<pre style="margin: 0;"> <span id="LC4" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">GitHub</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/github/license/pharmai/plip?style=social</span><span class="p">)</span></span>
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<pre style="margin: 0;"> <span id="LC5" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">GitHub All Releases</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/github/downloads/pharmai/plip/total?style=social</span><span class="p">)</span></span>
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<pre style="margin: 0;">-<span id="LC6" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">Docker Image Size (tag)</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/docker/image-size/pharmai/plip/latest?style=social</span><span class="p">)</span></span>
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<pre style="margin: 0;">+<span id="LC6" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">Docker Pulls</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/docker/pulls/pharmai/plip?style=social&logo=docker</span><span class="p">)</span></span>
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<pre style="margin: 0;">+<span id="LC7" class="line" lang="markdown"><span class="p">![</span><span class="nv" style="color: #008080;">Docker Image Size (tag)</span><span class="p">](</span><span class="sx" style="color: #d14;">https://img.shields.io/docker/image-size/pharmai/plip/latest?style=social&logo=docker</span><span class="p">)</span></span>
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<pre style="margin: 0;"> <span id="LC8" class="line" lang="markdown"></span>
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<pre style="margin: 0;"> <span id="LC9" class="line" lang="markdown">Analyze noncovalent protein-ligand interactions in 3D structures with ease.</span>
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<pre style="margin: 0;"> <span id="LC10" class="line" lang="markdown"></span>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -64,7 +65,7 @@ $ git clone https://github.com/ssalentin/plip.git ~/pliptool</td>
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<pre style="margin: 0;"> <span id="LC65" class="line" lang="markdown"><span class="gu" style="color: #800080; font-weight: 600;">### 2. Install PLIP</span></span>
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<pre style="margin: 0;"> <span id="LC66" class="line" lang="markdown"></span>
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<pre style="margin: 0;"> <span id="LC67" class="line" lang="markdown"><span class="gu" style="color: #800080; font-weight: 600;">#### Containerized Image (recommended)</span></span>
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<pre style="margin: 0;">-<span id="LC67" class="line" lang="markdown">:exclamation: We ship PLIP as a pre-built containers, available on the <span class="p">[</span><span class="nv" style="color: #008080;">Docker Hub</span><span class="p">](</span><span class="sx" style="color: #d14;">https://hub.docker.com/r/pharmai/plip</span><span class="p">)</span> or as pre-built Singularity image under <span class="p">[</span><span class="nv" style="color: #008080;">Releases</span><span class="p">](</span><span class="sx" style="color: #d14;">https://github.com/pharmai/plip/releases</span><span class="p">)</span>.</span>
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<pre style="margin: 0;">+<span id="LC68" class="line" lang="markdown">:exclamation: We ship PLIP as a pre-built containers<span class="idiff left right"> for multiple architectures (amd64/ARM)</span>, available on the <span class="p">[</span><span class="nv" style="color: #008080;">Docker Hub</span><span class="p">](</span><span class="sx" style="color: #d14;">https://hub.docker.com/r/pharmai/plip</span><span class="p">)</span> or as pre-built Singularity image under <span class="p">[</span><span class="nv" style="color: #008080;">Releases</span><span class="p">](</span><span class="sx" style="color: #d14;">https://github.com/pharmai/plip/releases</span><span class="p">)</span>.</span>
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<pre style="margin: 0;"> <span id="LC69" class="line" lang="markdown"></span>
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<pre style="margin: 0;"> <span id="LC70" class="line" lang="markdown"><span class="gu" style="color: #800080; font-weight: 600;">#### From Source</span></span>
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<pre style="margin: 0;"> <span id="LC71" class="line" lang="markdown">If you cannot use the containerized bundle or want to use PLIP sources, make sure you have the following requirements installed:</span>
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<a href="https://salsa.debian.org/med-team/plip/-/compare/836818258ae71108aae56c3137fddbde577ee29d...0d942ce3cffb19d14db1ecdd88a8d0bc68c90bfb#9c96da0e9f91d7d8937b69b524702c106258f0d1"><strong>debian/changelog</strong></a>
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<pre style="margin: 0;">+<span id="LC1" class="line" lang="plaintext">plip (2.1.3+dfsg-1) unstable; urgency=medium</span>
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<pre style="margin: 0;">+<span id="LC2" class="line" lang="plaintext"></span>
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<pre style="margin: 0;">+<span id="LC3" class="line" lang="plaintext"> * Add build-mulit.sh to Files-Excluded list in d/copyright</span>
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<pre style="margin: 0;">+<span id="LC4" class="line" lang="plaintext"> * New upstream version 2.1.3+dfsg</span>
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<pre style="margin: 0;">+<span id="LC5" class="line" lang="plaintext"></span>
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<pre style="margin: 0;">+<span id="LC6" class="line" lang="plaintext"> -- Alexandre Mestiashvili <mestia@debian.org> Wed, 08 Jul 2020 14:28:36 +0200</span>
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<pre style="margin: 0;">+<span id="LC7" class="line" lang="plaintext"></span>
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<pre style="margin: 0;"> <span id="LC8" class="line" lang="plaintext">plip (2.1.2~beta+dfsg-2) unstable; urgency=medium</span>
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<pre style="margin: 0;"> <span id="LC9" class="line" lang="plaintext"></span>
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<pre style="margin: 0;"> <span id="LC10" class="line" lang="plaintext"> * No change, source-only upload to allow testing migration</span>
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<a href="https://salsa.debian.org/med-team/plip/-/compare/836818258ae71108aae56c3137fddbde577ee29d...0d942ce3cffb19d14db1ecdd88a8d0bc68c90bfb#adb7f75f79e3bb85eb62912a2904c5d24af878fb"><strong>debian/copyright</strong></a>
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<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -9,6 +9,7 @@ Files-Excluded:</td>
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<pre style="margin: 0;"> <span id="LC9" class="line" lang="plaintext"> .github/*</span>
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<pre style="margin: 0;"> <span id="LC10" class="line" lang="plaintext"> Dockerfile*</span>
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<pre style="margin: 0;"> <span id="LC11" class="line" lang="plaintext"> plip/__pycache__</span>
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<pre style="margin: 0;">+<span id="LC12" class="line" lang="plaintext"> build_multi.sh</span>
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<pre style="margin: 0;"> <span id="LC13" class="line" lang="plaintext"></span>
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<pre style="margin: 0;"> <span id="LC14" class="line" lang="plaintext">Files: *</span>
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<pre style="margin: 0;"> <span id="LC15" class="line" lang="plaintext">Copyright: 2016 Sebastian Salentin <sebastian.salentin@biotec.tu-dresden.de></span>
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<a href="https://salsa.debian.org/med-team/plip/-/compare/836818258ae71108aae56c3137fddbde577ee29d...0d942ce3cffb19d14db1ecdd88a8d0bc68c90bfb#e0bdfb93722bb0bccd3faf9d5cbf446297ff47c4"><strong>plip/basic/config.py</strong></a>
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<pre style="margin: 0;">-<span id="LC1" class="line" lang="python"><span class="n" style="color: #333;">__version__</span> <span class="o" style="font-weight: 600;">=</span> <span class="s" style="color: #d14;">'2.1.<span class="idiff left right">2-beta</span>'</span></span>
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<pre style="margin: 0;">+<span id="LC1" class="line" lang="python"><span class="n" style="color: #333;">__version__</span> <span class="o" style="font-weight: 600;">=</span> <span class="s" style="color: #d14;">'2.1.<span class="idiff left right">3</span>'</span></span>
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<pre style="margin: 0;"> <span id="LC2" class="line" lang="python"><span class="n" style="color: #333;">__maintainer__</span> <span class="o" style="font-weight: 600;">=</span> <span class="s" style="color: #d14;">'PharmAI GmbH (2020) - www.pharm.ai - hello@pharm.ai'</span></span>
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<pre style="margin: 0;"> <span id="LC3" class="line" lang="python"></span>
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<pre style="margin: 0;"> <span id="LC4" class="line" lang="python"><span class="kn" style="font-weight: 600;">import</span> <span class="nn" style="color: #555;">logging</span></span>
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