diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index defe0793ef..a7f2e94663 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -1,6 +1,9 @@ name: CI Tests on: + schedule: + # * is a special character in YAML so you have to quote this string + - cron: "0 8 * * 1-5" push: pull_request: branches: @@ -32,8 +35,8 @@ jobs: - name: mamba info run: | mamba info - mamba list - - name: Install and link Julia dependencies + mamba list + - name: Install and link Julia dependencies run: | julia -e "using Pkg; Pkg.add(PackageSpec(url=\"https://github.com/ReactionMechanismGenerator/ReactionMechanismSimulator.jl\", rev=\"main\"))" julia -e "using Pkg; Pkg.add(\"PyCall\"); Pkg.add(\"DifferentialEquations\")" diff --git a/environment.yml b/environment.yml index 235d8aa09c..01311c52bc 100644 --- a/environment.yml +++ b/environment.yml @@ -1,52 +1,53 @@ name: rmg_env channels: - defaults + - cantera - rmg - conda-forge dependencies: - cairo - cairocffi - - rmg::cantera >=2.3.0 + - cantera::cantera >=2.3.0 # was previously RMG - conda-forge::cclib >=1.6.3 - - rmg::chemprop + - rmg::chemprop # change this to conda-forge in a future hackathon (fix the million bugs that will come up from chemprop having gone up a major release) - coolprop - coverage - cython >=0.25.2 - - rmg::diffeqpy + - rmg::diffeqpy # only on rmg - ffmpeg - - rmg::gprof2dot + - conda-forge::gprof2dot # was previously RMG - graphviz - h5py - jinja2 - jupyter - - rmg::lpsolve55 + - conda-forge::lpsolve55 # was previously RMG - markupsafe - matplotlib >=1.5 - - rmg::mopac + - rmg::mopac # was previously RMG, must be RMG - mpmath - - rmg::muq2 + - rmg::muq2 # only on RMG - networkx - nomkl - nose - - rmg::numdifftools + - conda-forge::numdifftools # was previously RMG, was recent - numpy >=1.10.0 - conda-forge::openbabel >= 3 - pandas - psutil - - rmg::pydas >=1.0.2 + - rmg::pydas >=1.0.2 # only RMG, internal - pydot - - rmg::pydqed >=1.0.1 - - rmg::pyjulia + - rmg::pydqed >=1.0.1 # only on RMG + - rmg::pyjulia # only RMG, internal - pymongo - pyparsing - - rmg::pyrdl - - rmg::pyrms + - rmg::pyrdl # only on RMG + - rmg::pyrms # internal - python >=3.7 - pyyaml - - rmg::quantities - - rmg::rdkit >=2020.03.3.0 + - conda-forge::quantities # was previously RMG + - conda-forge::rdkit >=2020.03.3.0 # was previously RMG - scikit-learn - scipy - - rmg::symmetry + - rmg::symmetry # internal - xlrd - xlwt