Skip to content

Commit 7ca3992

Browse files
committed
Update Sire pins.
1 parent e932ea1 commit 7ca3992

2 files changed

Lines changed: 8 additions & 11 deletions

File tree

pixi.toml

Lines changed: 6 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -23,12 +23,11 @@ pygtail = "*"
2323
pyyaml = "*"
2424
rdkit = "*"
2525

26-
# Optional but useful for full BioSimSpace functionality
2726
[target.linux-64.dependencies]
2827
# main
29-
#sire = ">=2025.3.0,<2025.4.0"
28+
sire = ">=2025.4.0,<2025.5.0"
3029
# devel
31-
sire = "==2025.4.0.dev"
30+
#sire = "==2026.1.0.dev"
3231
ambertools = ">=22"
3332
gromacs = "*"
3433
alchemlyb = "*"
@@ -37,25 +36,23 @@ mdanalysis = "*"
3736

3837

3938
[target.linux-aarch64.dependencies]
40-
# sire and ambertools not available as conda packages on linux-aarch64;
41-
# build sire from source first, then pip install -e . for BioSimSpace
4239
gromacs = "*"
4340

4441
[target.osx-arm64.dependencies]
4542
# main
46-
#sire = ">=2025.3.0,<2025.4.0"
43+
sire = ">=2025.4.0,<2025.5.0"
4744
# devel
48-
sire = "==2025.4.0.dev"
45+
#sire = "==2026.1.0.dev"
4946
ambertools = ">=22"
5047
alchemlyb = "*"
5148
mdtraj = "*"
5249
mdanalysis = "*"
5350

5451
[target.win-64.dependencies]
5552
# main
56-
#sire = ">=2025.3.0,<2025.4.0"
53+
sire = ">=2025.4.0,<2025.5.0"
5754
# devel
58-
sire = "==2025.4.0.dev"
55+
#sire = "==2026.1.0.dev"
5956
alchemlyb = "*"
6057
mdtraj = "*"
6158
mdanalysis = "*"

recipes/biosimspace/recipe.yaml

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -38,9 +38,9 @@ requirements:
3838
- pyyaml
3939
- rdkit
4040
# main
41-
#- sire >=2025.3.0,<2025.4.0
41+
- sire >=2025.4.0,<2025.5.0
4242
# devel
43-
- sire ==2025.4.0.dev
43+
#- sire ==2026.1.0.dev
4444
- if: not aarch64
4545
then:
4646
- alchemlyb

0 commit comments

Comments
 (0)