Bump 2.0.0

This commit is contained in:
Dima Molodenskiy
2024-11-06 13:33:32 +01:00
parent a6e97ecbc6
commit 5dae35b2e8
3 changed files with 4 additions and 7 deletions

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@@ -42,7 +42,6 @@ jobs:
conda activate AlphaPulldown
pip install alphapulldown==2.0.0b6
pip install -U "jax[cuda12]"
mamba install -c conda-forge biopython==1.81 importlib_metadata pytest # REMOVE AFTER UPDATING THE PYPI RELEASE VERSION!
- if: matrix.install-type == 'developer'
run: |
conda install -y -c conda-forge mamba

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@@ -1,4 +1,4 @@
# AlphaPulldown: Version 2.0.0 (Beta)
# AlphaPulldown: Version 2.0.0
> AlphaPulldown fully **maintains backward compatibility** with input files and scripts from versions 1.x.
@@ -431,9 +431,7 @@ AlphaPulldown can be used as a set of scripts for every particular step.
```bash
conda create -n AlphaPulldown -c omnia -c bioconda -c conda-forge python==3.11 openmm==8.0 pdbfixer==1.9 kalign2 hhsuite hmmer modelcif
```
**Optionally**, if you do not have it yet on your system, install [HMMER](http://hmmer.org/documentation.html) from Anaconda:
```bash
source activate AlphaPulldown
```
@@ -445,7 +443,7 @@ Activate the AlphaPulldown environment and install AlphaPulldown:
```bash
source activate AlphaPulldown
python3 -m pip install alphapulldown==2.0.0b6
python3 -m pip install alphapulldown
```
```bash

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@@ -1 +1 @@
__version__ = "2.0.0.b6"
__version__ = "2.0.0"