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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -23,12 +23,11 @@ pygtail = "*"
2323pyyaml = " *"
2424rdkit = " *"
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"
3231ambertools = " >=22"
3332gromacs = " *"
3433alchemlyb = " *"
@@ -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
4239gromacs = " *"
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"
4946ambertools = " >=22"
5047alchemlyb = " *"
5148mdtraj = " *"
5249mdanalysis = " *"
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"
5956alchemlyb = " *"
6057mdtraj = " *"
6158mdanalysis = " *"
Original file line number Diff line number Diff 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
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