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Patch qcportal version for espaloma #555

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merged 3 commits into from
Sep 21, 2023
Merged

Patch qcportal version for espaloma #555

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9ff4c1c
can't pull in newest qcportal
mikemhenry Sep 19, 2023
5f3b0f0
add note where issue was raised
mikemhenry Sep 21, 2023
b227dcb
Merge remote-tracking branch 'upstream/main' into patch_espaloma_0
mikemhenry Sep 21, 2023
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13 changes: 13 additions & 0 deletions recipe/patch_yaml/espaloma-patch.yaml
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Original file line number Diff line number Diff line change
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# Downpin espaloma to version of qcportal before API change
# https://github.com/choderalab/espaloma/issues/185
if:
subdir_in: noarch
name: espaloma
has_depends: "qcportal*"
timestamp_lt: 1695137390000
then:
- replace_depends:
# str of thing to be replaced
old: qcportal >=0.15.0
# thing to replace `old` with
new: qcportal >=0.15.0,<0.50.0a0