4444# Use this general activation variable when installed outside Scipion
4545MODEL_CONTINUOUSFLEX_ACTIVATION_VAR = "MODEL_CONTINUOUSFLEX_ACTIVATION"
4646
47- __version__ = "3.3.8 "
47+ __version__ = "3.3.9 "
4848
4949
5050class Plugin (pwem .Plugin ):
@@ -107,35 +107,6 @@ def defineCondaInstallation(version):
107107 tar = VOID_TGZ ,
108108 default = True )
109109
110- lib_path = cls .getCondaLibPath ()
111-
112- env .addPackage ('nma' , version = '3.1' ,
113- url = 'https://github.com/continuousflex-org/NMA_basic_code/raw/master/nma_v5.tar' ,
114- createBuildDir = False ,
115- buildDir = 'nma' ,
116- target = "nma" ,
117- commands = [('cd ElNemo; make; mv nma_* ..' , 'nma_elnemo_pdbmat' ),
118- ('cd NMA_cart; LDFLAGS=-L%s make; mv nma_* ..'
119- % lib_path , 'nma_diag_arpack' )],
120- neededProgs = ['gfortran' ], default = True )
121-
122- target_branch = "merge_genesis_1.4"
123- output = subprocess .getoutput ("gfortran --version" )
124- gfotran_version = int (re .search (r'\d+' , output ).group ())
125- if gfotran_version >= 10 :
126- FFLAGS = "-fallow-argument-mismatch -ffree-line-length-none"
127- else :
128- FFLAGS = "-ffree-line-length-none"
129-
130- cmd = 'git clone -b %s https://github.com/continuousflex-org/MD-NMMD-Genesis.git . ; autoreconf -fi ;' \
131- ' ./configure LDFLAGS=-L\" %s\" FFLAGS=\" %s\" ;' \
132- ' make install;' % (target_branch , lib_path , FFLAGS )
133-
134- env .addPackage ('MD-NMMD-Genesis' , version = MD_NMMD_GENESIS_VERSION ,
135- buildDir = 'MD-NMMD-Genesis' , tar = "void.tgz" ,
136- commands = [(cmd , ["bin/atdyn" ])],
137- neededProgs = ['mpif90' ], default = True )
138-
139110 def getCondaInstallation (version , txtfile ):
140111 installationCmd = cls .getCondaActivationCmd ()
141112 # If nvcc is not in the path, don't install Optical Flow or DeepLearning Libraries
@@ -152,3 +123,31 @@ def getCondaInstallation(version, txtfile):
152123 # Install the conda environment followed by the binaries
153124 defineCondaInstallation (__version__ )
154125
126+ lib_path = cls .getCondaLibPath ()
127+
128+ env .addPackage ('nma' , version = '3.1' ,
129+ url = 'https://github.com/continuousflex-org/NMA_basic_code/raw/master/nma_v5.tar' ,
130+ createBuildDir = False ,
131+ buildDir = 'nma' ,
132+ target = "nma" ,
133+ commands = [('cd ElNemo; make; mv nma_* ..' , 'nma_elnemo_pdbmat' ),
134+ ('cd NMA_cart; LDFLAGS=-L%s make; mv nma_* ..'
135+ % lib_path , 'nma_diag_arpack' )],
136+ neededProgs = ['gfortran' ], default = True )
137+
138+ target_branch = "merge_genesis_1.4"
139+ output = subprocess .getoutput ("gfortran --version" )
140+ gfotran_version = int (re .search (r'\d+' , output ).group ())
141+ if gfotran_version >= 10 :
142+ FFLAGS = "-fallow-argument-mismatch -ffree-line-length-none"
143+ else :
144+ FFLAGS = "-ffree-line-length-none"
145+
146+ cmd = 'git clone -b %s https://github.com/continuousflex-org/MD-NMMD-Genesis.git . ; autoreconf -fi ;' \
147+ ' ./configure LDFLAGS=-L\" %s\" FFLAGS=\" %s\" ;' \
148+ ' make install;' % (target_branch , lib_path , FFLAGS )
149+
150+ env .addPackage ('MD-NMMD-Genesis' , version = MD_NMMD_GENESIS_VERSION ,
151+ buildDir = 'MD-NMMD-Genesis' , tar = "void.tgz" ,
152+ commands = [(cmd , ["bin/atdyn" ])],
153+ neededProgs = ['mpif90' ], default = True )
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