package:
  name: solvationtoolkit
  version: 0.4.2

source:
    git_url: https://github.com/MobleyLab/SolvationToolkit.git
    git_tag: v0.4.2

build:
  preserve_egg_dir: True
  number: 0
  skip: True # [win]

requirements:
  build:
    - python
    - setuptools
    - numpy
    - numpydoc
    - scipy
    - ambermini
    - parmed
    - openmoltools
    - mdtraj
    - packmol
    - netcdf4
    - pandas
    - openmm
    - pytables
  run:
    - python
    - setuptools
    - numpy
    - numpydoc
    - scipy
    - ambermini
    - parmed
    - libgfortran 1.* # [linux and np == 19]
    - openmoltools
    - mdtraj
    - packmol
    - netcdf4
    - pandas
    - openmm
    - pytables

test:
  requires:
    - nose
    - openmmtools
#  imports:
#  - solvationtoolkit
#  - openmoltools
#  commands:
#    - nosetests solvationtoolkit -v

about:
  home: https://github.com/mobleylab/solvationtoolkit
  license: MIT

package:
  name: solvationtoolkit
  version: 0.4.3

source:
    git_url: https://github.com/MobleyLab/SolvationToolkit.git
    git_tag: v0.4.3

build:
  preserve_egg_dir: True
  number: 0
  skip: True # [win]

requirements:
  build:
    - python
    - setuptools
    - numpy
    - numpydoc
    - scipy
    - ambermini
    - parmed
    - openmoltools
    - mdtraj
    - packmol
    - netcdf4
    - pandas
    - openmm
    - pytables
  run:
    - python
    - setuptools
    - numpy
    - numpydoc
    - scipy
    - ambermini
    - parmed
    - openmoltools
    - mdtraj
    - packmol
    - netcdf4
    - pandas
    - openmm
    - pytables

test:
  requires:
    - nose
    - openmmtools
#  imports:
#  - solvationtoolkit
#  - openmoltools
#  commands:
#    - nosetests solvationtoolkit -v

about:
  home: https://github.com/mobleylab/solvationtoolkit
  license: MIT

Update solvation toolkit recipe for new release
Update solvation toolkit recipe for new release
