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1 change: 1 addition & 0 deletions .github/workflows/documentation_workflow.yml
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@ jobs:
- uses: actions/setup-python@v5
- name: Install dependencies
run: |
python -m pip install --upgrade "pip>=26.2.2"
pip install sphinx sphinx_mdinclude furo sphinx-copybutton #sphinx-new-tab-link
- name: Sphinx build
run: |
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9 changes: 9 additions & 0 deletions doc/source/installation.md
Original file line number Diff line number Diff line change
Expand Up @@ -47,13 +47,18 @@ You can find the prepared environment files in the `envs` directory
- `cuda124_env.yml` - This is appropriate for systems able to run CUDA 12.4 and PyTorch 2.4.0
- This uses requirements_cuda124.txt to install dependencies via `pip`

> Note: Use pip 26.2.2 or newer. Older pip releases still trust the withdrawn emSign root CA certificate.
> The environment files do not pin `pip`, so if conda installs an older version, create the environment
> and install the pip dependencies separately as described in step 1 below.

If you have trouble with these files but they *should* work based on your system specifications here are a few things to try:
1. Separate the creation of the environment and the installation of dependencies via pip:
1. Remove the last two lines from the above `.yml` files
2.
```
conda env create -f cuda121_env.yml
conda activate rfd2_env
python -m pip install --upgrade pip # pip 26.2.2 or newer
pip install -r requirements_cuda121.txt
```
This will force the dependencies you want installed by CUDA to be installed before pip is used.
Expand Down Expand Up @@ -89,6 +94,10 @@ For some useful troubleshooting tips, see the [Troubleshooting](#install_trouble
> **REMEMBER:** You will need to change your CUDA version based on what is available on your system. This will need to be changed in the
> NVIDIA channel, the dglteam channel, the pytorch version, and the pytorch-cuda version.

1. Upgrade pip to version 26.2.2 or newer:
```
python -m pip install --upgrade pip
```
1. Use pip to install several Python libraries:
```
pip install \
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6 changes: 3 additions & 3 deletions se3_flow_matching/fm.yml
Original file line number Diff line number Diff line change
Expand Up @@ -30,10 +30,10 @@ dependencies:
- bzip2=1.0.8=h7f98852_4
- c-ares=1.19.1=hd590300_0
- c-blosc2=2.10.2=hb4ffafa_0
- ca-certificates=2023.7.22=hbcca054_0
- ca-certificates
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- certifi=2023.7.22=pyhd8ed1ab_0
- certifi>=2026.10.19
- cffi=1.15.1=py310h255011f_3
- charset-normalizer=3.2.0=pyhd8ed1ab_0
- comm=0.1.4=pyhd8ed1ab_0
Expand Down Expand Up @@ -188,7 +188,7 @@ dependencies:
- pexpect=4.8.0=pyh1a96a4e_2
- pickleshare=0.7.5=py_1003
- pillow=10.0.0=py310h582fbeb_0
- pip=23.2.1=pyhd8ed1ab_0
- pip>=26.2.2
- pkgutil-resolve-name=1.3.10=pyhd8ed1ab_0
- platformdirs=3.10.0=pyhd8ed1ab_0
- pooch=1.7.0=pyha770c72_3
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