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New workspace crate for reusable implementations of SAFT #27

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Merged
prehner merged 9 commits into from
Jul 13, 2022
Merged

New workspace crate for reusable implementations of SAFT #27

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ad47854
New workspace crate for reusable implementations of SAFT
prehner Jul 3, 2022
2631c7c
Use a single generic implementation for association across models
prehner Jul 3, 2022
b8c31b3
cleanup
prehner Jul 3, 2022
234203f
remove obsolete files
prehner Jul 4, 2022
a0e8fa4
add missing files, update CI, and add tests from previously deleted f…
prehner Jul 4, 2022
644f3f3
remove default features
prehner Jul 4, 2022
ef6e28e
fix pets and python bindings
prehner Jul 4, 2022
d7a217b
small but very important fix
prehner Jul 4, 2022
2ac40f1
update changelog and fix bug in wheels
prehner Jul 13, 2022
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Use a single generic implementation for association across models
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@prehner
prehner committed Jul 8, 2022
commit 2631c7c8d5669b51d0d9edfd143e39b31107eb54
6 changes: 3 additions & 3 deletions Cargo.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -47,11 +47,11 @@ optional = true
approx = "0.4"

[features]
default = []
default = ["pcsaft", "dft", "gc_pcsaft"]
dft = ["feos-dft", "petgraph", "feos-saft?/dft"]
estimator = []
pcsaft = ["feos-saft"]
gc_pcsaft = ["feos-saft"]
pcsaft = ["feos-saft/association"]
gc_pcsaft = ["feos-saft/association"]
uvtheory = ["lazy_static"]
pets = []
python = ["pyo3", "numpy", "feos-core/python", "feos-dft?/python", "feos-saft?/python"]
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4 changes: 3 additions & 1 deletion feos-saft/Cargo.toml
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Expand Up @@ -22,8 +22,10 @@ feos-core = { version = "0.3", path = "../feos-core" }
feos-dft = { version = "0.2", path = "../feos-dft", optional = true }
ndarray = { version = "0.15", features = ["serde"] }
pyo3 = { version = "0.16", optional = true }
serde = "1.0"

[features]
default = []
default = ["association"]
association = []
dft = ["feos-dft"]
python = ["pyo3"]
346 changes: 0 additions & 346 deletions feos-saft/src/fundamental_measure_theory.rs
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