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Documentation (feos-org#1)
* Added documentation from feos-core * add pcsaft equation of state * Added documentation from feos-core * Add index for examples * Restructured API docs * Fixed conf.py * Moved whole documentation to rst * update toc for DFT functionalities * further changes * add documentation workflow * Removed gc-pcsaft, added feature for blas/lapack, adjusted workflow Co-authored-by: Philipp Rehner <prehner@ethz.ch>
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‎.github/workflows/documentation.yml‎

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name: Deploy Documentation
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on:
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push:
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branches: [master]
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pull_request:
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branches: [master]
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env:
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CARGO_TERM_COLOR: always
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jobs:
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build:
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v2
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- name: Setup python
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uses: actions/setup-python@v2
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with:
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python-version: 3.9
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- name: Install openBLAS
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run: sudo apt-get install -y libopenblas-dev
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- name: Install python dependencies
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run: |
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pip install sphinx sphinx-bootstrap-theme nbsphinx
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- name: Build Wheels
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uses: messense/maturin-action@v1
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with:
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manylinux: auto
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command: build
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args: --release --out dist --no-sdist
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- name: Install module
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run: |
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pip install feos --no-index --find-links dist --force-reinstall
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- name: Build documentation
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run: sphinx-build docs/ public/ -b html
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- name: Upload artifacts
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uses: actions/upload-artifact@v2
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with:
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name: documentation
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path: public

‎Cargo.toml‎

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quantity = "0.3"
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feos-core = { git = "https://github.com/feos-org/feos-core", branch = "main" }
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feos-dft = { git = "https://github.com/feos-org/feos-dft", branch = "main" }
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feos-gc-pcsaft = { git = "https://github.com/feos-org/feos-gc-pcsaft", branch = "main", features = ["python", "openblas-system"] }
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feos-pcsaft = { git = "https://github.com/feos-org/feos-pcsaft", branch = "main", features = ["python", "openblas-system"] }
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feos-pcsaft = { git = "https://github.com/feos-org/feos-pcsaft", branch = "main", features = ["python"] }
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[dependencies.pyo3]
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version = "0.14"
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features = ["extension-module", "abi3", "abi3-py36"]
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features = ["extension-module", "abi3", "abi3-py36"]
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[features]
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default = ["openblas-system"]
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openblas-system = ["feos-pcsaft/openblas-system"]
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openblas-static = ["feos-pcsaft/openblas-static"]
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intel-mkl-system = ["feos-pcsaft/intel-mkl-system"]
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intel-mkl-static = ["feos-pcsaft/intel-mkl-static"]
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netlib-system = ["feos-pcsaft/netlib-system"]
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netlib-static = ["feos-pcsaft/netlib-static"]

‎docs/Makefile‎

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# Minimal makefile for Sphinx documentation
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#
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# You can set these variables from the command line, and also
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# from the environment for the first two.
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SPHINXOPTS ?=
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SPHINXBUILD ?= sphinx-build
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SOURCEDIR = .
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BUILDDIR = _build
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# Put it first so that "make" without argument is like "make help".
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help:
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@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
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.PHONY: help Makefile
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# Catch-all target: route all unknown targets to Sphinx using the new
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# "make mode" option. $(O) is meant as a shortcut for $(SPHINXOPTS).
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%: Makefile
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@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)

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