Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in / Register
Toggle navigation
Menu
Open sidebar
OpenDAS
OpenFold
Commits
4fde713c
"vscode:/vscode.git/clone" did not exist on "99e3562882cc58b9cc5d46fee08afdf47eda0a09"
Commit
4fde713c
authored
Oct 17, 2023
by
Jennifer Wei
Browse files
update installation scripts.
parent
7922bd57
Changes
2
Hide whitespace changes
Inline
Side-by-side
Showing
2 changed files
with
2 additions
and
8 deletions
+2
-8
environment.yml
environment.yml
+1
-1
scripts/install_third_party_dependencies.sh
scripts/install_third_party_dependencies.sh
+1
-7
No files found.
environment.yml
View file @
4fde713c
...
...
@@ -8,7 +8,7 @@ dependencies:
-
conda-forge::setuptools=59.5.0
-
conda-forge::pip
-
conda-forge::cudatoolkit==11.3.*
-
conda-forge::openmm=7.
5.1
-
conda-forge::openmm=7.
7.0
-
conda-forge::pdbfixer
-
bioconda::hmmer==3.3.2
-
bioconda::hhsuite==3.3.0
...
...
scripts/install_third_party_dependencies.sh
View file @
4fde713c
#!/bin/bash
# Install DeepMind's OpenMM patch
OPENFOLD_DIR
=
$PWD
pushd
$CONDA_DEFAULT_ENV
/lib/python3.9/site-packages/
\
&&
patch
-p0
<
$OPENFOLD_DIR
/lib/openmm.patch
\
&&
popd
# Download folding resources
wget
--no-check-certificate
-P
openfold/resources
\
wget
-N
--no-check-certificate
-P
openfold/resources
\
https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt
# Certain tests need access to this file
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment