From fd2d4cef2e194b5d979e10c8efdd20522fefafea Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Thu, 6 Jun 2024 17:08:32 +0200
Subject: [PATCH 01/15] add cicd workflow for checking nomads dependencies

---
 .github/workflows/nomad-requirements.yml | 58 ++++++++++++++++++++++++
 1 file changed, 58 insertions(+)
 create mode 100644 .github/workflows/nomad-requirements.yml

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
new file mode 100644
index 000000000..ac67f613e
--- /dev/null
+++ b/.github/workflows/nomad-requirements.yml
@@ -0,0 +1,58 @@
+name: validate NOMAD dependencies compatibility
+
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+    branches:
+      - main
+
+jobs:
+  validate_nomad_dependencies:
+    runs-on: ubuntu-latest
+
+    steps:
+    - name: Checkout pynxtools
+      uses: actions/checkout@v2
+
+    - name: Checkout NOMAD from GitLab
+      run: |
+        git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
+        cd nomad-FAIR
+        git checkout develop 
+
+    - name: Set up Python
+      uses: actions/setup-python@v2
+      with:
+        python-version: '3.9'  # or any other version you need
+
+    - name: Parse pynxtools pyproject.toml
+      id: parse_pyproject
+      run: |
+        python -c "
+          import toml
+          import json# Load the pyproject.toml
+        
+          with open('pyproject.toml', 'r') as file:
+              pyproject = toml.load(file)
+        
+          dependencies = pyproject.get('project', {}).get('dependencies', [])
+        
+          # Convert to requirements format and save
+          with open('pyproject-requirements.txt', 'w') as f:
+              for dep in dependencies:
+                  f.write(f'{dep}\n')"
+    
+    - name: Combine and Check Dependencies
+      run: |
+        # Combine repo1's requirements with repo2's dependencies from pyproject.toml
+        cat nomad/requirements-dev > combined-requirements.txt
+        echo "" >> combined-requirements.txt
+        cat pyproject-requirements.txt >> combined-requirements.txt
+
+        # Upgrade pip and install the combined dependencies
+        python -m pip install --upgrade pip
+        pip install -r combined-requirements.txt
+      env:
+        PYTHONPATH: ""  # Ensure no pre-installed packages interfere with the test
\ No newline at end of file

From f2301362a5c772bcfdd3ff36497f922b615c2261 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Thu, 6 Jun 2024 17:09:55 +0200
Subject: [PATCH 02/15] use master branch for checking deps

---
 .github/workflows/nomad-requirements.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index ac67f613e..9ee49bd1b 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -3,10 +3,10 @@ name: validate NOMAD dependencies compatibility
 on:
   push:
     branches:
-      - main
+      - master
   pull_request:
     branches:
-      - main
+      - master
 
 jobs:
   validate_nomad_dependencies:

From 3b14428599a53629d97d4e1aad04c79383713030 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Thu, 6 Jun 2024 17:11:16 +0200
Subject: [PATCH 03/15] use correct nomad path

---
 .github/workflows/nomad-requirements.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 9ee49bd1b..46b30aa5d 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -19,7 +19,7 @@ jobs:
     - name: Checkout NOMAD from GitLab
       run: |
         git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
-        cd nomad-FAIR
+        cd nomad
         git checkout develop 
 
     - name: Set up Python

From e2ac1bd513cfdb330aa655facee0d2b7749b0f61 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Thu, 6 Jun 2024 17:19:40 +0200
Subject: [PATCH 04/15] use pip-compil

---
 .github/workflows/nomad-requirements.yml | 106 +++++++++++------------
 1 file changed, 49 insertions(+), 57 deletions(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 46b30aa5d..1fcd7e8f4 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -1,58 +1,50 @@
-name: validate NOMAD dependencies compatibility
-
-on:
-  push:
-    branches:
-      - master
-  pull_request:
-    branches:
-      - master
-
-jobs:
-  validate_nomad_dependencies:
-    runs-on: ubuntu-latest
-
-    steps:
-    - name: Checkout pynxtools
-      uses: actions/checkout@v2
-
-    - name: Checkout NOMAD from GitLab
-      run: |
-        git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
-        cd nomad
-        git checkout develop 
-
-    - name: Set up Python
-      uses: actions/setup-python@v2
-      with:
-        python-version: '3.9'  # or any other version you need
-
-    - name: Parse pynxtools pyproject.toml
-      id: parse_pyproject
-      run: |
-        python -c "
-          import toml
-          import json# Load the pyproject.toml
-        
-          with open('pyproject.toml', 'r') as file:
-              pyproject = toml.load(file)
-        
-          dependencies = pyproject.get('project', {}).get('dependencies', [])
-        
-          # Convert to requirements format and save
-          with open('pyproject-requirements.txt', 'w') as f:
-              for dep in dependencies:
-                  f.write(f'{dep}\n')"
-    
-    - name: Combine and Check Dependencies
-      run: |
-        # Combine repo1's requirements with repo2's dependencies from pyproject.toml
-        cat nomad/requirements-dev > combined-requirements.txt
-        echo "" >> combined-requirements.txt
-        cat pyproject-requirements.txt >> combined-requirements.txt
-
-        # Upgrade pip and install the combined dependencies
-        python -m pip install --upgrade pip
-        pip install -r combined-requirements.txt
-      env:
+name: validate NOMAD dependencies compatibility
+
+on:
+  push:
+    branches:
+      - master
+  pull_request:
+    branches:
+      - master
+
+jobs:
+  validate_nomad_dependencies:
+    runs-on: ubuntu-latest
+
+    steps:
+    - name: Checkout pynxtools
+      uses: actions/checkout@v2
+
+    - name: Checkout NOMAD from GitLab
+      run: |
+        git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
+        cd nomad
+        git checkout develop 
+
+    - name: Set up Python
+      uses: actions/setup-python@v2
+      with:
+        python-version: '3.9'  # or any other version you need
+
+    - name: Install pip-tools
+      run: |
+        python -m pip install --upgrade pip
+        pip install pip-tools
+
+    - name: Compile pyproject.toml to requirements.txt
+      run: |
+        # Use pip-compile to generate requirements.txt from pyproject.toml
+        pip-compile pyproject.toml --output-file=pyproject-requirements.txt
+        
+    - name: Combine and Check Dependencies
+      run: |
+        # Combine NOMADS requirements with pynxtools dependencies from pyproject.toml
+        cat nomad/requirements-dev > combined-requirements.txt
+        echo "" >> combined-requirements.txt
+        cat pyproject-requirements.txt >> combined-requirements.txt
+
+        # Install the combined dependencies
+        pip install -r combined-requirements.txt
+      env:
         PYTHONPATH: ""  # Ensure no pre-installed packages interfere with the test
\ No newline at end of file

From 98a014858ab315b4b448ce9d20a234d4d683a43a Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Thu, 6 Jun 2024 17:21:19 +0200
Subject: [PATCH 05/15] use correct nomad dev-requirements

---
 .github/workflows/nomad-requirements.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 1fcd7e8f4..1e0c0163b 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -40,7 +40,7 @@ jobs:
     - name: Combine and Check Dependencies
       run: |
         # Combine NOMADS requirements with pynxtools dependencies from pyproject.toml
-        cat nomad/requirements-dev > combined-requirements.txt
+        cat nomad/requirements-dev.txt > combined-requirements.txt
         echo "" >> combined-requirements.txt
         cat pyproject-requirements.txt >> combined-requirements.txt
 

From 85c79a39c56c78c429b7e34a5367beb9cc58cf53 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Sat, 8 Jun 2024 22:42:44 +0200
Subject: [PATCH 06/15] use NOMAD uv compile with current pynx branch

---
 .github/workflows/nomad-requirements.yml | 45 +++++++++++++-----------
 1 file changed, 24 insertions(+), 21 deletions(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 1e0c0163b..805fab097 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -1,4 +1,4 @@
-name: validate NOMAD dependencies compatibility
+name: Validate Dependencies Compatibility
 
 on:
   push:
@@ -9,42 +9,45 @@ on:
       - master
 
 jobs:
-  validate_nomad_dependencies:
+  validate_dependencies:
     runs-on: ubuntu-latest
 
     steps:
-    - name: Checkout pynxtools
+    - name: Checkout pynxtools (current repository)
       uses: actions/checkout@v2
 
     - name: Checkout NOMAD from GitLab
+      env:
+        GITLAB_TOKEN: ${{ secrets.GITLAB_TOKEN }}
       run: |
         git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
         cd nomad
-        git checkout develop 
+        git checkout develop
 
     - name: Set up Python
       uses: actions/setup-python@v2
       with:
-        python-version: '3.9'  # or any other version you need
+        python-version: '3.9'
 
-    - name: Install pip-tools
+    - name: Install uv
       run: |
-        python -m pip install --upgrade pip
-        pip install pip-tools
-
-    - name: Compile pyproject.toml to requirements.txt
+        curl -LsSf https://astral.sh/uv/install.sh | sh
+    - name: Replace pynxtools dependency in NOMAD pyproject.toml
       run: |
-        # Use pip-compile to generate requirements.txt from pyproject.toml
-        pip-compile pyproject.toml --output-file=pyproject-requirements.txt
-        
-    - name: Combine and Check Dependencies
+        sed -i 's|pynxtools\[convert\]==0.3.1|pynxtools\[convert\]@git+https://github.com/FAIRmat-NFDI/pynxtools.git@${{ github.head_ref }}|' pyproject.toml
+
+    - name: Generate requirements.txt from pyproject.toml
       run: |
-        # Combine NOMADS requirements with pynxtools dependencies from pyproject.toml
-        cat nomad/requirements-dev.txt > combined-requirements.txt
-        echo "" >> combined-requirements.txt
-        cat pyproject-requirements.txt >> combined-requirements.txt
+        uv pip compile -p 3.9 --annotation-style=line --extra=infrastructure --extra=parsing --output-file=requirements.txt dependencies/nomad-dos-fingerprints/pyproject.toml dependencies/parsers/eelsdb/pyproject.toml pyproject.toml
+        uv pip compile -p 3.9 --annotation-style=line --extra=dev --extra=infrastructure --extra=parsing --output-file=requirements-dev.txt requirements.txt pyproject.toml
 
-        # Install the combined dependencies
-        pip install -r combined-requirements.txt
+    - name: Install NOMAD dependencies with pynxtools from current branch
+      run: |
+        uv pip install --system -r requirements.txt
+        uv pip install --system -r requirements-dev.txt
       env:
-        PYTHONPATH: ""  # Ensure no pre-installed packages interfere with the test
\ No newline at end of file
+        PYTHONPATH: ""  # Ensure no pre-installed packages interfere with the test
+
+    - name: Run Tests
+      run: |
+        pytest
\ No newline at end of file

From d1d586edae10968d004d2e7d8022ec42b9dcec59 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Sat, 8 Jun 2024 22:45:15 +0200
Subject: [PATCH 07/15] init nomad submodules

---
 .github/workflows/nomad-requirements.yml | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 805fab097..ab1896f14 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -24,6 +24,10 @@ jobs:
         cd nomad
         git checkout develop
 
+    - name: Init NOMAD submodules
+      run:
+        git submodule update --init --recursive
+
     - name: Set up Python
       uses: actions/setup-python@v2
       with:

From ce1588d5486473e96a0a5675fdaea4dbd2dbbf67 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Sat, 8 Jun 2024 22:57:34 +0200
Subject: [PATCH 08/15] restructure cicd code

---
 .github/workflows/nomad-requirements.yml | 21 +++++++++------------
 1 file changed, 9 insertions(+), 12 deletions(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index ab1896f14..bc4f6ab45 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -13,20 +13,20 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - name: Checkout pynxtools (current repository)
+    - name: Checkout pynxtools
       uses: actions/checkout@v2
 
     - name: Checkout NOMAD from GitLab
-      env:
-        GITLAB_TOKEN: ${{ secrets.GITLAB_TOKEN }}
+      with:
+        submodules: 'recursive'
       run: |
         git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
         cd nomad
         git checkout develop
-
-    - name: Init NOMAD submodules
-      run:
-        git submodule update --init --recursive
+    
+    - name: Replace pynxtools dependency in NOMAD pyproject.toml
+      run: |
+        sed -i 's|pynxtools\[convert\]==0.3.1|pynxtools\[convert\]@git+https://github.com/FAIRmat-NFDI/pynxtools.git@${{ github.head_ref }}|' pyproject.toml
 
     - name: Set up Python
       uses: actions/setup-python@v2
@@ -35,12 +35,9 @@ jobs:
 
     - name: Install uv
       run: |
-        curl -LsSf https://astral.sh/uv/install.sh | sh
-    - name: Replace pynxtools dependency in NOMAD pyproject.toml
-      run: |
-        sed -i 's|pynxtools\[convert\]==0.3.1|pynxtools\[convert\]@git+https://github.com/FAIRmat-NFDI/pynxtools.git@${{ github.head_ref }}|' pyproject.toml
+        curl -LsSf https://astral.sh/uv/install.sh | sh 
 
-    - name: Generate requirements.txt from pyproject.toml
+    - name: Generate (dev-)requirements.txt from modified pyproject.toml
       run: |
         uv pip compile -p 3.9 --annotation-style=line --extra=infrastructure --extra=parsing --output-file=requirements.txt dependencies/nomad-dos-fingerprints/pyproject.toml dependencies/parsers/eelsdb/pyproject.toml pyproject.toml
         uv pip compile -p 3.9 --annotation-style=line --extra=dev --extra=infrastructure --extra=parsing --output-file=requirements-dev.txt requirements.txt pyproject.toml

From e72b8ab48cba5f92c1201f536ccd8f0664fe19a7 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Sat, 8 Jun 2024 23:00:16 +0200
Subject: [PATCH 09/15] checkout nomad submodules

---
 .github/workflows/nomad-requirements.yml | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index bc4f6ab45..54630c583 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -17,12 +17,11 @@ jobs:
       uses: actions/checkout@v2
 
     - name: Checkout NOMAD from GitLab
-      with:
-        submodules: 'recursive'
       run: |
         git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
         cd nomad
         git checkout develop
+        git submodule update --init --recursive
     
     - name: Replace pynxtools dependency in NOMAD pyproject.toml
       run: |

From b3d41519c28cedcfd336f1bd3a7ee7e72363cb42 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Sat, 8 Jun 2024 23:08:10 +0200
Subject: [PATCH 10/15] run all steps with workdir=nomad

---
 .github/workflows/nomad-requirements.yml | 13 ++++++++-----
 1 file changed, 8 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 54630c583..88b541ad2 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -7,6 +7,10 @@ on:
   pull_request:
     branches:
       - master
+    # Run workflow only when there are changes in pyproject.toml or dev-requirements.txt
+    # paths:
+    # - 'pyproject.toml'
+    # - 'dev-requirements.txt'
 
 jobs:
   validate_dependencies:
@@ -24,6 +28,7 @@ jobs:
         git submodule update --init --recursive
     
     - name: Replace pynxtools dependency in NOMAD pyproject.toml
+      working-directory: ./nomad
       run: |
         sed -i 's|pynxtools\[convert\]==0.3.1|pynxtools\[convert\]@git+https://github.com/FAIRmat-NFDI/pynxtools.git@${{ github.head_ref }}|' pyproject.toml
 
@@ -37,17 +42,15 @@ jobs:
         curl -LsSf https://astral.sh/uv/install.sh | sh 
 
     - name: Generate (dev-)requirements.txt from modified pyproject.toml
+      working-directory: ./nomad
       run: |
         uv pip compile -p 3.9 --annotation-style=line --extra=infrastructure --extra=parsing --output-file=requirements.txt dependencies/nomad-dos-fingerprints/pyproject.toml dependencies/parsers/eelsdb/pyproject.toml pyproject.toml
         uv pip compile -p 3.9 --annotation-style=line --extra=dev --extra=infrastructure --extra=parsing --output-file=requirements-dev.txt requirements.txt pyproject.toml
 
     - name: Install NOMAD dependencies with pynxtools from current branch
+      working-directory: ./nomad
       run: |
         uv pip install --system -r requirements.txt
         uv pip install --system -r requirements-dev.txt
       env:
-        PYTHONPATH: ""  # Ensure no pre-installed packages interfere with the test
-
-    - name: Run Tests
-      run: |
-        pytest
\ No newline at end of file
+        PYTHONPATH: ""  # Ensure no pre-installed packages interfere with the test
\ No newline at end of file

From 0137a73aa0d66ed519841b83cf33812b60096c3b Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Sat, 8 Jun 2024 23:15:59 +0200
Subject: [PATCH 11/15] replace any pynxtools version in NOMAD pyproject

---
 .github/workflows/nomad-requirements.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 88b541ad2..3def9d907 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -30,7 +30,7 @@ jobs:
     - name: Replace pynxtools dependency in NOMAD pyproject.toml
       working-directory: ./nomad
       run: |
-        sed -i 's|pynxtools\[convert\]==0.3.1|pynxtools\[convert\]@git+https://github.com/FAIRmat-NFDI/pynxtools.git@${{ github.head_ref }}|' pyproject.toml
+            sed -i "s|pynxtools\\\[convert\\\].*|pynxtools\[convert\]@git+https://github.com/FAIRmat-NFDI/pynxtools.git@${{ github.head_ref }}|" pyproject.toml
 
     - name: Set up Python
       uses: actions/setup-python@v2

From e76216fff96bd5f80b9249cba7166b952d3cf6d0 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Sat, 8 Jun 2024 23:38:03 +0200
Subject: [PATCH 12/15] use different regex to replace pynx version

---
 .github/workflows/nomad-requirements.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 3def9d907..2a777bd3c 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -30,7 +30,7 @@ jobs:
     - name: Replace pynxtools dependency in NOMAD pyproject.toml
       working-directory: ./nomad
       run: |
-            sed -i "s|pynxtools\\\[convert\\\].*|pynxtools\[convert\]@git+https://github.com/FAIRmat-NFDI/pynxtools.git@${{ github.head_ref }}|" pyproject.toml
+        sed -i 's|pynxtools\[convert\]==[0-9]\+\(\.[0-9]\+\)\{0,2\}|pynxtools\[convert\]@git+https://github.com/FAIRmat-NFDI/pynxtools.git@${{ github.head_ref }}|' pyproject.toml
 
     - name: Set up Python
       uses: actions/setup-python@v2

From 61d8f2b4384e46b5796de79866663d0ca7dbec32 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Tue, 11 Jun 2024 23:45:42 +0200
Subject: [PATCH 13/15] clean up nomad workflow

---
 .github/workflows/nomad-requirements.yml | 6 ++----
 1 file changed, 2 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 2a777bd3c..586c8a1ea 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -22,10 +22,8 @@ jobs:
 
     - name: Checkout NOMAD from GitLab
       run: |
-        git clone https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
-        cd nomad
-        git checkout develop
-        git submodule update --init --recursive
+        git clone --depth 1 --branch develop --recurse-submodules https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR.git nomad
+        git submodule update --init --recursive --depth 1
     
     - name: Replace pynxtools dependency in NOMAD pyproject.toml
       working-directory: ./nomad

From f386411c3fc18700e024345115e01c661d736dcf Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Tue, 11 Jun 2024 23:47:10 +0200
Subject: [PATCH 14/15] rename workflow

---
 .github/workflows/nomad-requirements.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index 586c8a1ea..dc4151dcb 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -1,4 +1,4 @@
-name: Validate Dependencies Compatibility
+name: validate Dependencies compatibility
 
 on:
   push:

From 65714b2ec66c6bfa71cb5e6c6151a03ed73f10a0 Mon Sep 17 00:00:00 2001
From: Lukas Pielsticker <50139597+lukaspie@users.noreply.github.com>
Date: Tue, 11 Jun 2024 23:56:25 +0200
Subject: [PATCH 15/15] run nomad dependency check only on changes to the
 dependencies

---
 .github/workflows/nomad-requirements.yml | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/nomad-requirements.yml b/.github/workflows/nomad-requirements.yml
index dc4151dcb..5536c756e 100644
--- a/.github/workflows/nomad-requirements.yml
+++ b/.github/workflows/nomad-requirements.yml
@@ -1,4 +1,4 @@
-name: validate Dependencies compatibility
+name: NOMAD dependencies compatibility
 
 on:
   push:
@@ -8,9 +8,9 @@ on:
     branches:
       - master
     # Run workflow only when there are changes in pyproject.toml or dev-requirements.txt
-    # paths:
-    # - 'pyproject.toml'
-    # - 'dev-requirements.txt'
+    paths:
+      - 'pyproject.toml'
+      - 'dev-requirements.txt'
 
 jobs:
   validate_dependencies: