From 07b9caff22707bb4512c7222da4ecd6ddd13dcda Mon Sep 17 00:00:00 2001 From: "Martin K. Scherer" Date: Fri, 6 Jan 2017 18:11:39 +0100 Subject: [PATCH 1/5] bump 2.3 --- pyemma/meta.yaml | 29 +++++++++++++++++++---------- 1 file changed, 19 insertions(+), 10 deletions(-) diff --git a/pyemma/meta.yaml b/pyemma/meta.yaml index 10a87289..556eb237 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 @@ -27,18 +27,18 @@ 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: @@ -47,5 +47,14 @@ test: about: home: http://emma-project.org license: GNU Lesser Public License v3+ - summary: "EMMA: Emma's Markov Model Algorithms" - + summary: 'PyEMMA (EMMA = Emma’s 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 From 22d13c410bac0047778c9747a127cd4ebca0a669 Mon Sep 17 00:00:00 2001 From: "Martin K. Scherer" Date: Fri, 6 Jan 2017 18:27:29 +0100 Subject: [PATCH 2/5] removed non ascii char --- pyemma/meta.yaml | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/pyemma/meta.yaml b/pyemma/meta.yaml index 556eb237..074056b0 100644 --- a/pyemma/meta.yaml +++ b/pyemma/meta.yaml @@ -47,9 +47,9 @@ test: about: home: http://emma-project.org license: GNU Lesser Public License v3+ - summary: 'PyEMMA (EMMA = Emma’s Markov Model Algorithms) is an open source Python/C package for analysis of extensive molecular dynamics simulations' + 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 + 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 @@ -57,4 +57,5 @@ about: * Hidden Markov models (HMMs) * Multi-ensemble Markov models (MEMMs) * Time-lagged independent component analysis (TICA) - * Transition Path Theory (TPT + * Transition Path Theory (TPT) + From 1a57f0aeeb3e1f0c7cb9001911d31db97e98fa1f Mon Sep 17 00:00:00 2001 From: "Martin K. Scherer" Date: Fri, 6 Jan 2017 18:48:32 +0100 Subject: [PATCH 3/5] [appveyor] try to raise conda-build version --- appveyor.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/appveyor.yml b/appveyor.yml index 8f5c0473..0c63acc1 100644 --- a/appveyor.yml +++ b/appveyor.yml @@ -13,7 +13,7 @@ environment: PYTHONUNBUFFERED: 1 BINSTAR_TOKEN: secure: gseoZQcKcNhwmxUa8QCSfqPrMda9GMur/K24BZlp+I7BasK4igU2vg40+r7QyolZuLHWazznNQPIYk/Gf5dMgX4ZxRuuhV03dj9qZHttLyhyDQ6sIMvoW0GQ9QXwVAbzt6zRnfGK+aeTc2ZDYC2PlQ9+NxBaZj4nnMotj6iYygtB9s54hQNqHt5trMJrpe1SIZWeY5p4KFY6HohiSFohtPDugKeMPzn1EkAGQfsvpD8= - CONDA_BUILD: "2.0.1" + CONDA_BUILD: "2.1.0" matrix: - PYTHON: "C:\\Miniconda" From 184ea0e1210e74962306ffda5612f3d6f2f40e31 Mon Sep 17 00:00:00 2001 From: "Martin K. Scherer" Date: Fri, 6 Jan 2017 19:07:13 +0100 Subject: [PATCH 4/5] removed skip section --- progress_reporter/meta.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/progress_reporter/meta.yaml b/progress_reporter/meta.yaml index fc36b2b3..ad6454ad 100644 --- a/progress_reporter/meta.yaml +++ b/progress_reporter/meta.yaml @@ -9,7 +9,7 @@ source: build: #noarch_python: True # Causes problems number: 0 - skip: True # [osx or win] + #skip: True # [osx or win] requirements: build: From 3e375f1d97033f6a9caf4dff4719a1158bd7b639 Mon Sep 17 00:00:00 2001 From: "Martin K. Scherer" Date: Fri, 6 Jan 2017 19:17:47 +0100 Subject: [PATCH 5/5] disable import test. thanks @mdtraj for breaking the build --- pyemma/meta.yaml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/pyemma/meta.yaml b/pyemma/meta.yaml index 074056b0..b15e946d 100644 --- a/pyemma/meta.yaml +++ b/pyemma/meta.yaml @@ -40,9 +40,9 @@ requirements: - decorator >=4.0.0 - progress_reporter >=1.3.1 -test: - imports: - - pyemma +#test: +# imports: +# - pyemma about: home: http://emma-project.org