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fix merge conflicts
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‎.github/old-workflows/win-selfinstall-test.yml‎

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name: install self-installer on Windows
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on:
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workflow_dispatch: # Allows running this workflow manually
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# Runs on pushes targeting the default branch
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# push:
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# branches-ignore:
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# - master
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# branches: ['main']
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# pull_request:
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# branches: ['main']
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jobs:
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test-GSAS-II:
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#strategy:
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# fail-fast: false
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runs-on: 'windows-latest'
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steps:
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- uses: suisei-cn/actions-download-file@818d6b7dc8fe73f2f924b6241f2b1134ca1377d9 # 1.6.0
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id: downloadfile
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name: Download the file
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with:
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url: "https://github.com/AdvancedPhotonSource/GSAS-II-buildtools/releases/download/v1.0.1/gsas2new-5804-Windows-x86_64.exe"
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#target: download/
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#- name: find it
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# shell: bash
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# run: |
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# ls -R
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- name: GSAS-II install
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shell: pwsh
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run: Start-Process -FilePath .\gsas2new-5804-Windows-x86_64.exe -ArgumentList "/S /AddToPath=1 " -NoNewWindow -Wait
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#- name: find install
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# if: always()
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# shell: bash
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# run: |
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# ls -R
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#- name: GSAS-II find GSAS-II
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# if: always()
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# shell: bash
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# run: |
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# cd c:/ProgramData/gsas2new/GSAS-II
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# ls
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- name: try all tests
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if: always()
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shell: cmd
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run: |
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call c:\ProgramData\gsas2new\Scripts\activate
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python -VV
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call conda install -y --quiet pytest
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call cd c:\ProgramData\gsas2new\GSAS-II
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dir
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python -m pytest c:/ProgramData/gsas2new/GSAS-II
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# #python -v -c "import sys; print(sys.path)"
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# python -c "import pyspg"
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# - name: try ldd
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# if: always()
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# shell: bash -el {0}
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# run: |
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# #conda create -n ntldd python=3.12 numpy=2.2 m2w64-ntldd-git
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# conda create -n ntldd python=3.11 numpy=1.26 m2w64-ntldd-git
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# conda activate ntldd
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# cd GSAS-II/GSASII-bin/win_64_p3.11_n1.26
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# #cd GSAS-II/GSASII-bin/win_64_p3.12_n2.2
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# ls
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# ntldd *.pyd
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# python -c "import pyspg"

‎.github/old-workflows/win_test.yml‎

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name: debug self-tests on Windows w/3.11
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on:
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workflow_dispatch: # Allows running this workflow manually
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# Runs on pushes targeting the default branch
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# push:
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# branches-ignore:
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# - master
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# branches: ['main']
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# pull_request:
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# branches: ['main']
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jobs:
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test-GSAS-II:
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strategy:
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fail-fast: false
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matrix:
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# python-version: ["3.11", "3.12", "3.13"]
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python-version: ["3.11"]
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# python-version: ["3.12"]
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runs-on: 'windows-latest'
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steps:
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- uses: conda-incubator/setup-miniconda@v3
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with:
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auto-update-conda: true
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python-version: ${{ matrix.python-version }}
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- name: Conda install
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shell: bash -el {0}
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run: |
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# tailor the numpy version to match the GSAS-II binaries
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if [ "${{ matrix.python-version }}" == "3.13" ]; then
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npver="2.2 python-gil"
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elif [ "${{ matrix.python-version }}" == "3.12" ]; then
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npver=2.2
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elif [ "${{ matrix.python-version }}" == "3.11" ]; then
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npver=1.26
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fi
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#conda list
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#conda info
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conda install python=${{ matrix.python-version }} numpy=${npver} scipy requests pytest git gitpython pycifrw -c conda-forge --override-channels --quiet
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#conda install --quiet numpy=${npver} requests pytest briantoby::gsas2pkg -c conda-forge
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conda info
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conda list
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- name: GSAS-II install
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shell: bash -el {0}
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run: |
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#mkdir G2
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#cd G2
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curl -L -O https://github.com/AdvancedPhotonSource/GSAS-II-buildtools/raw/main/install/gitstrap.py
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python gitstrap.py --nocheck --noshortcut --branch=main
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- name: find files
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shell: bash -el {0}
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run: |
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ls -l GSAS-II/GSASII-bin/win_64_p3.11_n1.26
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#ls -l GSAS-II/GSASII-bin/win_64_p3.12_n2.2
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ls -l GSAS-II/tests
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- name: GSAS-II single test
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if: always()
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shell: bash -el {0}
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run: |
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cd GSAS-II
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python tests/test_elm.py
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python tests/test_spg.py
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# - name: GSAS-II all tests
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# if: always()
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# shell: bash -el {0}
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# run: |
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# cd GSAS-II
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# ls
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# python -m pytest
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- name: try pyspg
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if: always()
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shell: bash -el {0}
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run: |
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cd GSAS-II/GSASII-bin/win_64_p3.11_n1.26
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#cd GSAS-II/GSASII-bin/win_64_p3.12_n2.2
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python -VV
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python -c "import sys; print(sys.path)"
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python -c "import pyspg"
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- name: try ldd
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if: always()
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shell: bash -el {0}
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run: |
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#conda create -n ntldd python=3.12 numpy=2.2 m2w64-ntldd-git
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conda create -n ntldd python=3.11 numpy=1.26 m2w64-ntldd-git
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conda activate ntldd
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cd GSAS-II/GSASII-bin/win_64_p3.11_n1.26
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#cd GSAS-II/GSASII-bin/win_64_p3.12_n2.2
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ls
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ntldd *.pyd
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python -c "import sys; sys.path.insert(0,'.'); import pyspg"

‎.github/workflows/TriggerRemote.yml‎

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# when run, this starts GitHub Actions workflow in another repo (GSAS-II-buildtools)
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# 1) note that the GitHub Actions to be run must be on: repository_dispatch:
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# 2) in the organizaion owning the remote repo, one must create a Personal Access Token
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# (Org level) (Settings/Developer Settings/Personal Access Settings->Tokens
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# got this to work w/classic having this access allowed:
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# repo:status, repo_deployment, public_repo, repo:invite, security_events, manage_runners:org
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# better w/new style token, I guess
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# 3) save the created token in @ project-level: Settings/Secrets and vars/Actions: Repo secret
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# 1) This will trigger all GitHub Actions in workflows that has
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# on: repository_dispatch:
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# 2) an authorized user (Brian, or perhaps organization) creates a
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# personal access token.
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# Do this by clicking on "picture (upper rt)
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# then "Settings" in drop-down and
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# then select "Developer settings" (at bottom).
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# Finally select "Fine-grained tokens"
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# Personal access token settings:
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# select owner: APS;
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# select APS/G2-bld;
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# Repo permissions: contents r/w & metadata: r/o.
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# 3) Save the created token in this (G2) project.
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# Use repo-level settings on 2nd line from top (may be in ... menu).
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# Select Actions in Secrets & variables and create a repository secret.
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# Name assigned must match ${{ secrets.XXX }} in workflow's curl
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# call ("Authorization:" setting)
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name: Trigger on GSASII-buildtools
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name: Test of triggering GSASII-buildtools actions
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on: workflow_dispatch
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‎.github/workflows/smoke_test.yml‎

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name: smoke test
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on:
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# Runs on pushes targeting the default branch
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push:
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branches-ignore:
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- master
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# branches: ['develop']
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pull_request:
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branches: ['main']
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# Allows you to run this workflow manually from the Actions tab
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workflow_dispatch:
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# Default to bash
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defaults:
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run:
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shell: bash
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jobs:
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build:
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strategy:
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fail-fast: false
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matrix:
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os:
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- name: 'ubuntu-22.04'
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- name: 'macos-latest'
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- name: 'windows-latest'
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# cmd_extra: '-win'
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env: ['py310', 'py311', 'py312', 'py313']
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runs-on: ${{ matrix.os.name }}
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steps:
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# checkout repo
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- uses: actions/checkout@v2
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# set up pixi
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- uses: prefix-dev/[email protected]
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with:
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environments: ${{ matrix.env }}
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pixi-version: v0.39.5
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manifest-path: pixi/pixi.toml
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# run install to see if it works
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- name: Build
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# run: pixi run --manifest-path pixi/pixi.toml -e ${{ matrix.env }} install${{ matrix.os.cmd_extra }}
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run: pixi run --manifest-path pixi/pixi.toml -e ${{ matrix.env }} install
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- name: test
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run: pixi run --manifest-path pixi/pixi.toml -e ${{ matrix.env }} test

‎.github/workflows/win-gitstrap-selftest.yml‎

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name: GSAS-II self-tests on Windows via gitstrap
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on:
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workflow_dispatch: # Allows running this workflow manually
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# Runs on pushes targeting the default branch
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# push:
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# branches-ignore:
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# - master
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# branches: ['main']
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# pull_request:
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# branches: ['main']
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jobs:
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test-GSAS-II:
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strategy:
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fail-fast: false
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matrix:
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python-version: ["3.12", "3.13"]
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# python-version: ["3.11", "3.12", "3.13"]
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# python-version: ["3.13"]
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runs-on: 'windows-latest'
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steps:
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- uses: conda-incubator/setup-miniconda@v3
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with:
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auto-update-conda: true
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python-version: ${{ matrix.python-version }}
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- name: Conda install
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shell: bash -el {0}
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run: |
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# tailor the numpy version to match the GSAS-II binaries
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if [ "${{ matrix.python-version }}" == "3.13" ]; then
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npver="2.2 python-gil"
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elif [ "${{ matrix.python-version }}" == "3.12" ]; then
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npver=2.2
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elif [ "${{ matrix.python-version }}" == "3.11" ]; then
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npver=1.26
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fi
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conda install python=${{ matrix.python-version }} numpy=${npver} scipy requests pytest git gitpython pycifrw -c conda-forge --override-channels --quiet
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#conda info
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#conda list
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- name: GSAS-II install
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shell: bash -el {0}
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run: |
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curl -L -O https://github.com/AdvancedPhotonSource/GSAS-II-buildtools/raw/main/install/gitstrap.py
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python gitstrap.py --nocheck --noshortcut --branch=main
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- name: GSAS-II all tests
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shell: bash -el {0}
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run: |
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cd GSAS-II
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python -m pytest

‎.gitignore‎

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# GSAS-II settings, perhaps to be moved
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# obsolete GSAS-II settings file
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config.py
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# local code for debugging
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debug_setup.py.example
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debug_setup.py
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# created by install/saved-versions.py
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GSASII/saved_version.py
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# created on MacOS by makeMacApp.py
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GSAS-II.app/
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GSAS-II.py
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# from Spyder
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.spyproject
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# GSAS binaries
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GSASII/bindist
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GSASII/bin
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# Local dev env files
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.vscode
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.linenoteplus
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dist
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build
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#
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*.gpx
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*.lst
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*~

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