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Fix v7.2 public release missing files (#30)
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* fix v7.2 release

* bring BUILD back for new folders
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xuyan-ru authored Nov 18, 2023
1 parent 5adba55 commit 129c2c0
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Showing 6 changed files with 731 additions and 4 deletions.
5 changes: 2 additions & 3 deletions .github/workflows/docker_publish.yml
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Expand Up @@ -35,10 +35,9 @@ jobs:
# https://github.com/sigstore/cosign-installer
- name: Install cosign
if: github.event_name != 'pull_request'
uses: sigstore/cosign-installer@f3c664df7af409cb4873aa5068053ba9d61a57b6 #v2.6.0
uses: sigstore/cosign-installer@v3.1.1
with:
cosign-release: 'v1.11.0'

cosign-release: 'v2.1.1'

# Workaround: https://github.com/docker/build-push-action/issues/461
- name: Setup Docker buildx
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18 changes: 18 additions & 0 deletions docs/Workflows/linkers_with_rings.md
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Expand Up @@ -281,3 +281,21 @@ tsubstructure -s B -s P -s I -s Br -n okelements -v all.single_ring.smi
tsubstructure -n linker.not_too_long -s '[R]!@{a>4}*' -m too_long okelements.smi
```
and again the linkers are separated by atoms between the join points.

## Files
**LILLY SPECIFIC**
The relevant files are
* /lrlhps/users/rx87690/LINKERS_With_Rings/all.linker.2.smi
* /lrlhps/users/rx87690/LINKERS_With_Rings/all.linker.3.smi
* /lrlhps/users/rx87690/LINKERS_With_Rings/all.linker.4.smi
* /lrlhps/users/rx87690/LINKERS_With_Rings/all.linker.5.smi
* /lrlhps/users/rx87690/LINKERS_With_Rings/all.linker.6.smi
* /lrlhps/users/rx87690/LINKERS_With_Rings/all.linker.7.smi
* /lrlhps/users/rx87690/LINKERS_With_Rings/all.linker.8.smi
* /lrlhps/users/rx87690/LINKERS_With_Rings/all.linker.9.smi

The same files that include singletons are in
```
/lrlhps/users/rx87690/LINKERS_With_Rings/SINGLETONS
```
These are isotopically labelled at the join point.
1 change: 0 additions & 1 deletion src/.gitignore
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Expand Up @@ -14,7 +14,6 @@ Makefile
CTestTestfile.cmake
*.cmake
_deps
build
bin
lib
include
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