Added changelog and updated versions for Indigo 1.7.0

epam · May 26, 2022 · 8b206d6 · 8b206d6
1 parent 260b321
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diff --git a/.github/workflows/indigo-ci.yaml b/.github/workflows/indigo-ci.yaml
@@ -767,7 +767,7 @@ jobs:
       - name: Update version
         run: |
           cd api/wasm/indigo-ketcher
-          ver=$(git describe --abbrev=0 --tags --match "indigo-*")-$(git rev-list $(git describe --abbrev=0 --tags --match "indigo-*").. --count)
+          ver=$(git describe --abbrev=0 --tags --match "indigo-*")
           ver=$(echo $ver | sed 's/indigo-//g')
           npm version ${ver}
       - name: Build, Test, Pack

diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -1,9 +1,29 @@
 # Indigo 1.7.0
-Released in bright future
+Released 2022-05-26
 
 ## Features
+* API web service: added /render endpoint for rendering compounds and reactions
+* API: added logP calculation to Python API
+* API: added atom hybridization calculation to Python API
+* API: added salt stripping method to Python API
+* Core: added support for multistep reactions
+* Ketcher WASM API: added InChIKey calculation method
+* API: Added Jupyter notebooks with examples of using Indigo in machine learning
+* API: Added initial version of graph neural networks featurizers
+
 ## Improvements
+* ZLib updated to 1.2.12
+* LibPNG updated to 1.6.37
+* TinyXML updated to TinyXML2 9.0.0
+* Bingo PostgreSQL support to Postgres 13 and 144 added, thanks @SPKorhonen,
+  dropped support for Postgres 9.6
+
 ## Bugfixes
+* Bingo Elastic: fixed exact search (#644)
+* Core: ketcher format loader: options handling fixed (#588)
+* API: Fixed `name()` calling for RXNV3000 format (#678)
+* Numerous fixes for Ketcher data format (#689, #711, #733, #734)
+* API web service: fixed descriptors calcuation
 
 
 # Indigo 1.6.1

diff --git a/api/dotnet/src/Indigo.Net.csproj b/api/dotnet/src/Indigo.Net.csproj
@@ -2,7 +2,7 @@
 
 	<PropertyGroup>
 		<TargetFrameworks>netstandard2.0</TargetFrameworks>
-		<Version>1.7.0-beta</Version>
+		<Version>1.7.0</Version>
 		<Authors>EPAM Systems Life Science Department</Authors>
 		<Company>EPAM Systems</Company>
 		<Description>Universal cheminformatics toolkit</Description>

diff --git a/api/http/requirements.txt b/api/http/requirements.txt
@@ -1,7 +1,7 @@
 anyio==3.3.4
 asgiref==3.4.1
 click==8.0.3
-epam.indigo==1.6.1
+epam.indigo==1.7.0
 fastapi==0.70.0
 h11==0.12.0
 idna==3.3

diff --git a/api/http/setup.py b/api/http/setup.py
@@ -19,7 +19,7 @@
 
 setup_kwargs = {
     "name": "indigo-service",
-    "version": "1.7.0-beta",
+    "version": "1.7.0",
     "description": "",
     "long_description": None,
     "author": "Ruslan Khyurri",

diff --git a/api/indigo-version.cmake b/api/indigo-version.cmake
@@ -1,4 +1,4 @@
-set(INDIGO_DEFAULT_VERSION "1.7.0-beta")
+set(INDIGO_DEFAULT_VERSION "1.7.0")
 set(INDIGO_MAX_REVISION 500)
 
 find_package(Git)

diff --git a/api/java/pom.xml b/api/java/pom.xml
@@ -17,7 +17,7 @@
         <project.build.sourceEncoding>UTF-8</project.build.sourceEncoding>
         <maven.compiler.source>1.8</maven.compiler.source>
         <maven.compiler.target>${maven.compiler.source}</maven.compiler.target>
-        <revision>1.7.0-beta</revision>
+        <revision>1.7.0</revision>
     </properties>
 
     <licenses>

diff --git a/api/python/indigo/__init__.py b/api/python/indigo/__init__.py
@@ -15,7 +15,7 @@
 # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 # See the License for the specific language governing permissions and
 # limitations under the License.
-__version__ = "1.7.0-beta"
+__version__ = "1.7.0"
 
 import os
 import platform

diff --git a/api/python/setup.py b/api/python/setup.py
@@ -95,7 +95,7 @@
 
 setup(
     name="epam.indigo",
-    version="1.7.0-beta",
+    version="1.7.0",
     description="Indigo universal cheminformatics toolkit",
     author="EPAM Systems Life Science Department",
     author_email="lifescience.opensource@epam.com",

diff --git a/api/r/DESCRIPTION b/api/r/DESCRIPTION
@@ -1,5 +1,5 @@
 Package: rindigo
-Version: 1.7.0-beta
+Version: 1.7.0
 Date: 2020-12-10
 Title: R Package for Indigo Toolkit
 Authors@R: c(person(given = "Mikhail", family = "Kviatkovskii", role = c("cre"),

diff --git a/api/wasm/indigo-ketcher/package.json b/api/wasm/indigo-ketcher/package.json
@@ -1,6 +1,6 @@
 {
   "name": "indigo-ketcher",
-  "version": "1.7.0-beta",
+  "version": "1.7.0",
   "description": "WASM implementation of Indigo organic chemistry toolkit web service for Ketcher",
   "main": "indigo-ketcher.js",
   "files": [

diff --git a/bingo/bingo-elastic/java/pom.xml b/bingo/bingo-elastic/java/pom.xml
@@ -2,7 +2,7 @@
     <modelVersion>4.0.0</modelVersion>
     <groupId>com.epam.indigo</groupId>
     <artifactId>bingo-elastic</artifactId>
-    <version>1.7.0-beta</version>
+    <version>1.7.0</version>
     <packaging>jar</packaging>
 
     <name>Bingo Elastic</name>

diff --git a/bingo/bingo-elastic/python/bingo_elastic/__init__.py b/bingo/bingo-elastic/python/bingo_elastic/__init__.py
@@ -1 +1 @@
-__version__ = "1.7.0-beta"
+__version__ = "1.7.0"
diff --git a/bingo/bingo-elastic/python/setup.py b/bingo/bingo-elastic/python/setup.py
@@ -21,7 +21,7 @@
 
 setup(
     name="bingo_elastic",
-    version="1.7.0-beta",
+    version="1.7.0",
     description="Cartridge that provides fast, scalable, and efficient storage and searching solution for chemical information using Elasticsearch",
     author="Ruslan Khyurri",
     author_email="ruslan_khyurri@epam.com",
@@ -35,7 +35,7 @@
     download_url="https://pypi.org/project/bingo_elastic",
     python_requires=">=3.7",
     packages=["bingo_elastic", "bingo_elastic.model"],
-    install_requires=["epam.indigo==1.6.1", "elasticsearch==7.16.2"],
+    install_requires=["epam.indigo==1.7.0", "elasticsearch==7.16.2"],
     extras_require={
         "async": ["elasticsearch[async]==7.16.2"],
         "dev": [

diff --git a/bingo/tests/requirements.txt b/bingo/tests/requirements.txt
@@ -1,5 +1,5 @@
 elasticsearch==7.10.1
-epam.indigo==1.6.1
+epam.indigo
 psycopg2-binary==2.9.3
 pytest==6.2.5
 SQLAlchemy==1.3.22

diff --git a/utils/indigo-ml/setup.py b/utils/indigo-ml/setup.py
@@ -95,7 +95,7 @@
 
 setup(
     name="epam.indigo",
-    version="1.7.0-beta",
+    version="1.7.0",
     description="Indigo universal cheminformatics toolkit",
     author="EPAM Systems Life Science Department",
     author_email="lifescience.opensource@epam.com",