Skip to content

Create chemical record from SMILES using rdkit (#191) #524

Create chemical record from SMILES using rdkit (#191)

Create chemical record from SMILES using rdkit (#191) #524

Workflow file for this run

name: Test
on:
push:
branches: [main]
pull_request:
branches: [main]
env:
CARGO_TERM_COLOR: always
jobs:
test_crates:
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
crate: [feos-core, feos-dft]
steps:
- uses: actions/checkout@v3
- name: Build
run: cargo build --release -p ${{ matrix.crate }}
- name: Run tests
run: cargo test --release -p ${{ matrix.crate }}
test_models:
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
model: [pcsaft, gc_pcsaft, pets, uvtheory, saftvrqmie]
steps:
- uses: actions/checkout@v3
- name: Build
run: cargo build --release --features ${{ matrix.model }}
- name: Run tests
run: cargo test --release --features ${{ matrix.model }}
test_models_dft:
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
model: [pcsaft, gc_pcsaft]
steps:
- uses: actions/checkout@v3
- name: Build
run: cargo build --release --features "${{ matrix.model }} dft"
- name: Run tests
run: cargo test --release --features "${{ matrix.model }} dft"