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spicy.cabal
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cabal-version: 1.12
-- This file has been generated from package.yaml by hpack version 0.34.4.
--
-- see: https://github.com/sol/hpack
name: spicy
version: 0.0.1
description: Please see the README on GitLab at <https://gitlab.com/theoretical-chemistry-jena/quantum-chemistry/Spicy>
author: Phillip Seeber, Sebastian Seidenath
maintainer: [email protected]
copyright: 2021 Phillip Seeber, Sebastian Seidenath
license: GPL-3
license-file: LICENSE
build-type: Simple
extra-source-files:
README.md
LICENSE
goldentests/input/
goldentests/goldenfiles/
source-repository head
type: git
location: https://gitlab.com/theoretical-chemistry-jena/quantum-chemistry/Spicy
library
exposed-modules:
Spicy.Aeson
Spicy.CmdArgs
Spicy.Common
Spicy.Data
Spicy.Formats.FChk
Spicy.Initiator
Spicy.InputFile
Spicy.JobDriver
Spicy.Math.SparseArray
Spicy.Math.Spherical
Spicy.Math.Util
Spicy.Molecule
Spicy.Molecule.Internal.Multipoles
Spicy.Molecule.Internal.Parser
Spicy.Molecule.Internal.Types
Spicy.Molecule.Internal.Util
Spicy.Molecule.Internal.Writer
Spicy.ONIOM.AtomicDriver
Spicy.ONIOM.Collector
Spicy.ONIOM.Layout
Spicy.Outputter
Spicy.RuntimeEnv
Spicy.Wrapper
Spicy.Wrapper.Internal.Executor
Spicy.Wrapper.Internal.Input.IO
Spicy.Wrapper.Internal.Input.Language
Spicy.Wrapper.Internal.Input.Representation
Spicy.Wrapper.Internal.Output.GDMA
Spicy.Wrapper.Internal.Output.Generic
Spicy.Wrapper.Internal.Output.XTB
Spicy.Wrapper.IPI.Protocol
Spicy.Wrapper.IPI.Pysisyphus
Spicy.Wrapper.IPI.Types
other-modules:
Paths_spicy
hs-source-dirs:
src
default-extensions:
BangPatterns
OverloadedStrings
NoImplicitPrelude
FlexibleContexts
ScopedTypeVariables
OverloadedLabels
DataKinds
FlexibleInstances
MultiParamTypeClasses
UndecidableInstances
TypeFamilies
DuplicateRecordFields
ScopedTypeVariables
DataKinds
DeriveAnyClass
DeriveDataTypeable
DeriveGeneric
DeriveTraversable
FlexibleInstances
GeneralizedNewtypeDeriving
TypeApplications
RecordWildCards
NamedFieldPuns
ghc-options: -Wall -Wno-unused-top-binds -Wcompat -Widentities -Wincomplete-record-updates -Wincomplete-uni-patterns -Wpartial-fields -Wredundant-constraints
build-depends:
aeson >=1.4.4.0 && <1.6
, aeson-pretty >=0.8.7 && <0.9
, attoparsec >=0.13.1.0 && <0.14
, base >=4.7 && <5
, binary >=0.8.8.0 && <0.11
, bytestring >=0.10.8.2 && <0.12
, cmdargs >=0.10.20 && <0.11
, containers >=0.6.0.1 && <0.7
, data-default >=0.7.1.1 && <0.8
, deepseq >=1.4.2.0 && <1.5
, file-embed >=0.0.11.1 && <0.1
, formatting >=6.3.7 && <8
, free ==5.1.*
, integer-roots >=1.0 && <2
, massiv >=0.6.0.0 && <0.7
, network >=3.1.2.1 && <3.2
, optics >=0.3 && <0.5
, parallel >=3.2.1.0 && <3.3
, pathtype >=0.8.1 && <0.9
, rio >=0.1.13.0 && <0.2
, split >=0.2.3.3 && <0.3
, tasty >=1.2.3 && <1.4
, tasty-golden >=2.3.3 && <2.4
, text >=1.2.3.1 && <1.3
, vector >=0.12.1.2 && <0.13
, vector-binary-instances >=0.2.5.1 && <0.3
, yaml >=0.11.2.0 && <0.12
default-language: Haskell2010
executable spicy
main-is: spicy.hs
other-modules:
Paths_spicy
hs-source-dirs:
app
default-extensions:
BangPatterns
OverloadedStrings
NoImplicitPrelude
ghc-options: -Wall -Wno-unused-top-binds -Wcompat -Widentities -Wincomplete-record-updates -Wincomplete-uni-patterns -Wpartial-fields -Wredundant-constraints -threaded -rtsopts "-with-rtsopts=-N -qa"
build-depends:
aeson >=1.4.4.0 && <1.6
, aeson-pretty >=0.8.7 && <0.9
, attoparsec >=0.13.1.0 && <0.14
, base >=4.7 && <5
, binary >=0.8.8.0 && <0.11
, bytestring >=0.10.8.2 && <0.12
, cmdargs >=0.10.20 && <0.11
, containers >=0.6.0.1 && <0.7
, data-default >=0.7.1.1 && <0.8
, deepseq >=1.4.2.0 && <1.5
, file-embed >=0.0.11.1 && <0.1
, formatting >=6.3.7 && <8
, free ==5.1.*
, integer-roots >=1.0 && <2
, massiv >=0.6.0.0 && <0.7
, network >=3.1.2.1 && <3.2
, optics >=0.3 && <0.5
, parallel >=3.2.1.0 && <3.3
, pathtype >=0.8.1 && <0.9
, rio >=0.1.13.0 && <0.2
, spicy
, split >=0.2.3.3 && <0.3
, tasty >=1.2.3 && <1.4
, tasty-golden >=2.3.3 && <2.4
, text >=1.2.3.1 && <1.3
, vector >=0.12.1.2 && <0.13
, vector-binary-instances >=0.2.5.1 && <0.3
, yaml >=0.11.2.0 && <0.12
default-language: Haskell2010
test-suite unittests
type: exitcode-stdio-1.0
main-is: testing.hs
other-modules:
Paths_spicy
hs-source-dirs:
app
ghc-options: -Wall -Wno-unused-top-binds -Wcompat -Widentities -Wincomplete-record-updates -Wincomplete-uni-patterns -Wpartial-fields -Wredundant-constraints -threaded -rtsopts
build-depends:
aeson >=1.4.4.0 && <1.6
, aeson-pretty >=0.8.7 && <0.9
, attoparsec >=0.13.1.0 && <0.14
, base >=4.7 && <5
, binary >=0.8.8.0 && <0.11
, bytestring >=0.10.8.2 && <0.12
, cmdargs >=0.10.20 && <0.11
, containers >=0.6.0.1 && <0.7
, data-default >=0.7.1.1 && <0.8
, deepseq >=1.4.2.0 && <1.5
, file-embed >=0.0.11.1 && <0.1
, formatting >=6.3.7 && <8
, free ==5.1.*
, integer-roots >=1.0 && <2
, massiv >=0.6.0.0 && <0.7
, network >=3.1.2.1 && <3.2
, optics >=0.3 && <0.5
, parallel >=3.2.1.0 && <3.3
, pathtype >=0.8.1 && <0.9
, rio >=0.1.13.0 && <0.2
, spicy
, split >=0.2.3.3 && <0.3
, tasty >=1.2.3 && <1.3
, tasty-golden >=2.3.1 && <2.4
, tasty-hunit >=0.10.0.2 && <0.11
, text >=1.2.3.1 && <1.3
, vector >=0.12.1.2 && <0.13
, vector-binary-instances >=0.2.5.1 && <0.3
, yaml >=0.11.2.0 && <0.12
default-language: Haskell2010