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Release 1.2.1 preparations
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JonasSchaub committed Jan 8, 2024
1 parent d8825b2 commit 607e9ce
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2 changes: 1 addition & 1 deletion .github/workflows/publish-javadoc.yml
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Expand Up @@ -21,5 +21,5 @@ jobs:
GITHUB_TOKEN: ${{secrets.GITHUB_TOKEN}}
javadoc-branch: javadoc
java-version: 21
target-folder: javadoc/1.2
target-folder: javadoc/1.2.1
project: gradle
4 changes: 2 additions & 2 deletions CITATION.cff
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@@ -1,6 +1,6 @@
cff-version: 1.2.0
title: ErtlFunctionalGroupsFinder
version: 1.2
version: 1.2.1
message: "If you use this software, please cite it as below and also cite the accompanying scientific publication referenced below."
type: software
authors:
Expand All @@ -20,7 +20,7 @@ authors:
orcid: "https://orcid.org/0000-0003-0722-4229"
url: "https://github.com/JonasSchaub/ErtlFunctionalGroupsFinder"
doi: "10.5281/zenodo.10391831"
date-released: 2023-12-15
date-released: 2024-01-08
license: LGPL-2.1
references:
- authors:
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--------------------------------------------------------------------------------
Performance usage instructions with Java 21 (or higher)
--------------------------------------------------------------------------------
1. Install Java 21 (or higher) on your machine (if necessary)
1. Install Java 11 (or higher) on your machine (if necessary)
2. Copy the content of this sub-folder to a destination directory on your
machine with read/write access.
3. Copy SD-file with your molecule library to the destination directory on your
Expand All @@ -10,15 +10,15 @@ Performance usage instructions with Java 21 (or higher)
To run a performance test from the command line, go to the destination directory
on your machine and type:

java -jar "ErtlFunctionalGroupsFinder-PerformanceSnapshotApp-1.2.0.0.jar" "sdFileName" numberOfThreads
java -jar "ErtlFunctionalGroupsFinder-PerformanceSnapshotApp-1.2.1.0.jar" "sdFileName" numberOfThreads

sdFilePathname : Name of the SD-file with your molecule library to test (must be
located in the same directory as
"ErtlFunctionalGroupsFinder-PerformanceSnapshotApp-1.2.0.0.jar")
"ErtlFunctionalGroupsFinder-PerformanceSnapshotApp-1.2.1.0.jar")
numberOfThreads: Number of parallel calculation threads (>= 1)

You may wish to add additional JVM parameters in the command line (e.g. for
increased heap size to avoid an "out of memory" exception for large SD-files).

Note: Sub-directory "src" contains the Java source code for
"ErtlFunctionalGroupsFinder-PerformanceSnapshotApp-1.2.0.0.jar".
"ErtlFunctionalGroupsFinder-PerformanceSnapshotApp-1.2.1.0.jar".
6 changes: 3 additions & 3 deletions build.gradle
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Expand Up @@ -37,9 +37,9 @@ application {
group = 'io.github.jonasschaub'
archivesBaseName = 'ErtlFunctionalGroupsFinder'
//see also version for publishing below! And do not forget to update CITATION.cff version as well!!!
version = '1.2.0.0'
version = '1.2.1.0'

//sourceCompatibility = 1.21
//sourceCompatibility = 1.11

//Creates javadoc and sources jars
java {
Expand Down Expand Up @@ -160,7 +160,7 @@ publishing {

groupId = 'io.github.jonasschaub'
artifactId = 'ErtlFunctionalGroupsFinder'
version = '1.2.0.0'
version = '1.2.1.0'

from components.java

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