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modified types

modified types #115

Workflow file for this run

name: Run Julia Tests
on:
push:
branches:
- main # or your default branch
pull_request:
jobs:
test:
runs-on: ubuntu-latest
steps:
- name: Checkout repository
uses: actions/checkout@v4
- name: Set up Julia
uses: julia-actions/setup-julia@v2
with:
version: 1.11.6 # or another version
- name: Set up Miniconda
uses: conda-incubator/setup-miniconda@v2
with:
auto-update-conda: true
channels: conda-forge
activate-environment: sscha
python-version: '3.10'
- name: Install dependencies
run: |
julia --project -e 'using Pkg; Pkg.instantiate()'
# Install Python deps *into the already-activated sscha env*
- name: Install Python deps
shell: bash -l {0}
run: |
conda create -n sscha -c conda-forge python=3.10 gfortran libblas lapack \
openmpi openmpi-mpicc pip numpy scipy spglib=2.2 pkgconfig setuptools=64
which python
python -V
python -m pip list
pip install ase
pip install --no-build-isolation "cellconstructor==1.4.1"
pip install --no-build-isolation "python-sscha==1.4.1"
# Point PyCall to Conda's Python and rebuild it
- name: Configure PyCall to use Conda Python
shell: bash -l {0}
run: |
julia --project -e '
using Pkg
ENV["PYTHON"] = Sys.which("python")
Pkg.build("PyCall")
using PyCall
@info "PyCall.python" PyCall.python'
- name: Run tests
run: |
julia --project -e 'using Pkg; Pkg.test()'