Merge branch 'develop' into main

issp-center-dev · Sep 10, 2024 · b2366e3 · b2366e3
2 parents 24450b4 + 80acde8
commit b2366e3
Show file tree

Hide file tree

Showing 8 changed files with 9 additions and 25 deletions.
diff --git a/docs/en/source/conf.py b/docs/en/source/conf.py
@@ -26,9 +26,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = '1.0'
+version = '1.1-dev'
 # The full version, including alpha/beta/rc tags
-release = '1.0.0'
+release = '1.1-dev'
 
 
 # -- General configuration ---------------------------------------------------

diff --git a/docs/ja/source/conf.py b/docs/ja/source/conf.py
@@ -26,9 +26,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = '1.0'
+version = '1.1-dev'
 # The full version, including alpha/beta/rc tags
-release = '1.0.0'
+release = '1.1-dev'
 
 
 # -- General configuration ---------------------------------------------------

diff --git a/pyproject.toml b/pyproject.toml
@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "HTP-tools-moller"
-version = "1.0"
+version = "1.1-dev"
 description = "High-ThroughtPut calculation tools"
 authors = ["HTP-tools developers <[email protected]>"]
 license = "GPL-3.0-or-later"

diff --git a/sample/moller/dsqss/AFH-chain/input.yaml b/sample/moller/dsqss/AFH-chain/input.yaml
@@ -11,12 +11,6 @@ prologue:
   code: |
     module purge
     module load oneapi_compiler/2023.0.0 openmpi/4.1.5-oneapi-2023.0.0-classic
-
-    ulimit -s unlimited
-
-    source ~/env/conda.sh
-    conda activate htptools
-
     source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/parallel/parallelvars-20210622-1.sh
     source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/dsqss/dsqssvars.sh
 

diff --git a/sample/moller/hphi/AFH-chain/2S_1/input.yaml b/sample/moller/hphi/AFH-chain/2S_1/input.yaml
@@ -11,14 +11,9 @@ prologue:
   code: |
     echo "start"
     date
+
     module purge
     module load oneapi_compiler/2023.0.0 openmpi/4.1.5-oneapi-2023.0.0-classic
-
-    ulimit -s unlimited
-
-    source ~/env/conda.sh
-    conda activate htptools
-
     source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/parallel/parallelvars-20210622-1.sh
     source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/hphi/hphivars.sh
 

diff --git a/sample/moller/hphi/AFH-chain/2S_2/input.yaml b/sample/moller/hphi/AFH-chain/2S_2/input.yaml
@@ -11,14 +11,9 @@ prologue:
   code: |
     echo "start"
     date
+
     module purge
     module load oneapi_compiler/2023.0.0 openmpi/4.1.5-oneapi-2023.0.0-classic
-
-    ulimit -s unlimited
-
-    source ~/env/conda.sh
-    conda activate htptools
-
     source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/parallel/parallelvars-20210622-1.sh
     source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/hphi/hphivars.sh
 

diff --git a/src/moller/__init__.py b/src/moller/__init__.py
@@ -1 +1 @@
-__version__ = '1.0.0'
+__version__ = '1.1-dev'
diff --git a/src/moller/main.py b/src/moller/main.py
@@ -85,7 +85,7 @@ def generate(self, fp):
         lines = self.code.splitlines()
         lines_new = []
         for line in lines:
-            if re.match(r'(srun|mpirun|mpiexec)', line):
+            if re.search(r'\b(srun|mpirun|mpiexec)\b', line):
                 line = re.sub(r'(srun|mpirun|mpiexec)', srun_str, line)
 
                 lines_new.append(r'  DEBUG "$_work_item: ' + line + '"')