/
docs-cf.yaml
45 lines (45 loc) · 1.23 KB
/
docs-cf.yaml
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
name: test
channels:
- conda-forge
- nodefaults
dependencies:
# build
- c-compiler
- cmake
- cxx-compiler
- ninja
# non-qc buildtime required
- blas-devel # req'd with libblas
- eigen # req'd with libint
- libblas=*=*mkl
- libboost-headers # req'd with libint
- llvm-openmp
- numpy
- pybind11>=2.10.*
- python
# qc buildtime required
- gau2grid
- conda-forge/label/libint_dev::libint==2.7.3dev1
- libxc-c
- optking
- qcelemental
- qcengine
# runtime required
- msgpack-python # req'd with qcelemental
- networkx # req'd with qcelemental
- scipy
# test
- pytest
- pytest-xdist # req'd with pytest; Parallel runner not strictly needed but very handy.
# docs
- autodoc-pydantic=1 # req'd with sphinx
- doxygen
- ipykernel # req'd with nbsphinx
- nbsphinx
- python-graphviz
- qcportal # req'd with sphinx; Required for docs to resolve objects in pydantic classes.
- sphinx
- sphinx-autodoc-typehints # req'd with sphinx
- sphinx-automodapi # req'd with sphinx
- psi4::sphinx-psi-theme
- sphinx-tabs # req'd with sphinx