diff --git a/pyemma/meta.yaml b/pyemma/meta.yaml index 10a87289..b15e946d 100644 --- a/pyemma/meta.yaml +++ b/pyemma/meta.yaml @@ -1,4 +1,4 @@ -{% set version = "2.2.7" %} +{% set version = "2.3" %} package: name: pyemma @@ -15,11 +15,11 @@ requirements: build: - python - setuptools - - cython >=0.20 + - cython - - mdtraj >=1.7 - - nose + - mdtraj >=1.8 - numpy x.x + - scipy run: - python @@ -27,25 +27,35 @@ requirements: - bhmm >=0.6,<0.7 - joblib >0.8.4 - matplotlib - - mdtraj >=1.7 + - mdtraj >=1.8 - mock - funcsigs - - msmtools >=1.1.4 - - thermotools >=0.2 + - msmtools >=1.2 + - thermotools >=0.2.3 - numpy x.x - pyyaml - scipy - six - psutil >=3.1.1 - decorator >=4.0.0 - - progress_reporter + - progress_reporter >=1.3.1 -test: - imports: - - pyemma +#test: +# imports: +# - pyemma about: home: http://emma-project.org license: GNU Lesser Public License v3+ - summary: "EMMA: Emma's Markov Model Algorithms" + summary: 'PyEMMA (EMMA = Emmas Markov Model Algorithms) is an open source Python/C package for analysis of extensive molecular dynamics simulations' + description: | + PyEMMA (EMMA = Emma's Markov Model Algorithms) is an open source Python/C package + for analysis of extensive molecular dynamics simulations. + In particular, it includes algorithms for estimation, validation and analysis of: + * Clustering and Featurization + * Markov state models (MSMs) + * Hidden Markov models (HMMs) + * Multi-ensemble Markov models (MEMMs) + * Time-lagged independent component analysis (TICA) + * Transition Path Theory (TPT)